0 B6R0.3 C#C[C@H](N)C(=O)O CNP0348654.1 [0,0,0,0,0,0|1,0,3]=4 1 B6R0.3 C=C(C)C(=O)OC CNP0278102.0 [0,0,0,0,0,0|4,0,0]=4 2 B6R0.3 C=C(C)[C@H](C)CC CNP0076705.1 [0,0,0,0,0,0|2,0,2]=4 3 B6R0.3 C=C(CC)C(=O)O CNP0082368.0 [0,0,0,0,0,0|0,0,2]=2 4 B6R0.3 C=C(CN)C(=O)O CNP0223341.0 [0,0,0,0,0,0|1,0,2]=3 5 B6R0.3 C=C(Cl)C(=O)OC CNP0115457.0 [0,0,0,0,0,0|4,0,0]=4 6 B6R0.3 C=C(NC)C(=O)O CNP0542368.0 [0,0,0,0,0,0|1,0,1]=2 7 B6R0.3 C=CC(=O)C(=O)O CNP0593167.0 [0,0,0,0,0,0|1,0,1]=2 8 B6R0.3 C=C[C@@H](N)C(=O)O CNP0240520.1 [0,0,0,0,0,0|1,0,2]=3 9 B6R0.3 C=C[C@H](N)C(=O)O CNP0240520.2 [0,0,0,0,0,0|1,0,2]=3 10 B6R0.3 CC(=NO)C(=O)O CNP0205729.0 [0,0,0,0,0,0|2,0,0]=2 11 B6R0.3 CC(=O)C(=CBr)Br CNP0164912.0 [0,0,0,0,0,0|3,0,0]=3 12 B6R0.3 CC(=O)C(=NO)C CNP0091192.0 [0,0,0,0,0,0|3,0,0]=3 13 B6R0.3 CC(=O)C(C)C#N CNP0503071.0 [0,0,0,0,0,0|2,0,2]=4 14 B6R0.3 CC=C(C)C(=O)C CNP0119709.0 [0,0,0,0,0,0|1,0,0]=1 15 B6R0.3 CC=C(C)C(=O)N CNP0399229.0 [0,0,0,0,0,0|1,0,0]=1 16 B6R0.3 CC=C(C)C(=O)O CNP0238363.0 [0,0,0,0,0,0|0,0,0]=0 17 B6R0.3 CC=C(N)C(=O)O CNP0146934.0 [0,0,0,0,0,0|1,0,0]=1 18 B6R0.3 CCC(=C(C)C)C CNP0076862.0 [0,0,0,0,0,0|2,0,1]=3 19 B6R0.3 CCC(=O)C(=O)C CNP0311036.0 [0,0,0,0,0,0|2,0,1]=3 20 B6R0.3 CCC(=O)C(=O)O CNP0283357.0 [0,0,0,0,0,0|1,0,1]=2 21 B6R0.3 CCC(=O)[C@H](C)O CNP0287252.1 [0,0,0,0,0,0|2,0,2]=4 22 B6R0.3 CCC(O)C(=O)C CNP0413470.0 [0,0,0,0,0,0|2,0,2]=4 23 B6R0.3 CCC(S)C(=O)C CNP0064467.0 [0,0,0,0,0,0|2,0,2]=4 24 B6R0.3 CC[C@@H](C)C(=O)C CNP0151175.1 [0,0,0,0,0,0|1,0,2]=3 25 B6R0.3 CC[C@@H](C)C(=O)Cl CNP0146254.2 [0,0,0,0,0,0|1,0,2]=3 26 B6R0.3 CC[C@@H](C)C(=O)N CNP0157695.1 [0,0,0,0,0,0|1,0,2]=3 27 B6R0.3 CC[C@@H](C)C(=O)O CNP0187792.1 [0,0,0,0,0,0|0,0,2]=2 28 B6R0.3 CC[C@@H](C)C(O)O CNP0597016.1 [0,0,0,0,0,0|0,0,4]=4 29 B6R0.3 CC[C@@H](C)[C@@H](C)O CNP0061619.1 [0,0,0,0,0,0|1,0,3]=4 30 B6R0.3 CC[C@@H](N)C(=O)O CNP0243222.1 [0,0,0,0,0,0|1,0,2]=3 31 B6R0.3 CC[C@@H](O)C(=O)C CNP0413470.1 [0,0,0,0,0,0|2,0,2]=4 32 B6R0.3 CC[C@@H](O)C(=O)O CNP0162708.1 [0,0,0,0,0,0|1,0,2]=3 33 B6R0.3 CC[C@H](C)C(=O)C CNP0151175.2 [0,0,0,0,0,0|1,0,2]=3 34 B6R0.3 CC[C@H](C)C(=O)Cl CNP0146254.1 [0,0,0,0,0,0|1,0,2]=3 35 B6R0.3 CC[C@H](C)C(=O)N CNP0157695.2 [0,0,0,0,0,0|1,0,2]=3 36 B6R0.3 CC[C@H](C)C(=O)O CNP0187792.2 [0,0,0,0,0,0|0,0,2]=2 37 B6R0.3 CC[C@H](C)[C@@H](C)O CNP0061619.2 [0,0,0,0,0,0|1,0,3]=4 38 B6R0.3 CC[C@H](N)C(=O)O CNP0243222.3 [0,0,0,0,0,0|1,0,2]=3 39 B6R0.3 CC[C@H](O)C(=O)O CNP0162708.2 [0,0,0,0,0,0|1,0,2]=3 40 B6R0.3 CN(N=O)C(=O)N CNP0122422.0 [0,0,0,0,0,0|4,0,0]=4 41 B6R0.3 CNC(=O)C(=O)O CNP0336017.0 [0,0,0,0,0,0|2,0,0]=2 42 B6R0.3 CN[C@@H](C)C(=O)O CNP0126063.1 [0,0,0,0,0,0|1,0,1]=2 43 B6R0.3 CN[C@H](C)C(=O)O CNP0126063.2 [0,0,0,0,0,0|1,0,1]=2 44 B6R0.3 COC(=O)C(=O)C CNP0301085.0 [0,0,0,0,0,0|3,0,0]=3 45 B6R0.3 COC(=O)C(=O)Cl CNP0247015.0 [0,0,0,0,0,0|3,0,0]=3 46 B6R0.3 COC(=O)C(=O)O CNP0117987.0 [0,0,0,0,0,0|2,0,0]=2 47 B6R0.3 COC(=O)[C@@H](C)O CNP0238296.2 [0,0,0,0,0,0|3,0,1]=4 48 B6R0.3 COC(=O)[C@@H](N)O CNP0142697.1 [0,0,0,0,0,0|3,0,1]=4 49 B6R0.3 COC(=O)[C@H](C)O CNP0238296.1 [0,0,0,0,0,0|3,0,1]=4 50 B6R0.3 CO[C@@H](C)C(=O)C CNP0325332.1 [0,0,0,0,0,0|2,0,1]=3 51 B6R0.3 CSC(C)C(=O)C CNP0075921.0 [0,0,0,0,0,0|2,0,1]=3 52 B6R0.3 C[C@@H](C=O)C(=O)O CNP0083546.1 [0,0,0,0,0,0|1,0,1]=2 53 B6R0.3 C[C@@H](CN)C(=O)O CNP0291505.1 [0,0,0,0,0,0|1,0,2]=3 54 B6R0.3 C[C@@H](CO)C(=O)O CNP0257203.1 [0,0,0,0,0,0|1,0,2]=3 55 B6R0.3 C[C@H](CN)C(=O)O CNP0291505.2 [0,0,0,0,0,0|1,0,2]=3 56 B6R0.3 C[C@H](CO)C(=O)O CNP0257203.2 [0,0,0,0,0,0|1,0,2]=3 57 B6R0.3 C[C@H](NO)C(=O)O CNP0221656.1 [0,0,0,0,0,0|2,0,1]=3 58 B6R0.3 NC[C@@H](N)C(=O)O CNP0403048.1 [0,0,0,0,0,0|2,0,2]=4 59 B6R0.3 NC[C@@H](O)C(=O)O CNP0213687.1 [0,0,0,0,0,0|2,0,2]=4 60 B6R0.3 NC[C@H](N)C(=O)O CNP0403048.2 [0,0,0,0,0,0|2,0,2]=4 61 B6R0.3 N[C@@H](C=O)C(=O)O CNP0082836.1 [0,0,0,0,0,0|2,0,1]=3 62 B6R0.3 N[C@@H](CO)C(=O)O CNP0275512.1 [0,0,0,0,0,0|2,0,2]=4 63 B6R0.3 N[C@@H](CS)C(=O)O CNP0280490.1 [0,0,0,0,0,0|2,0,2]=4 64 B6R0.3 N[C@@H](CS)C(=O)O CNP0543246.1 [0,0,0,0,0,0|2,0,2]=4 65 B6R0.3 N[C@@H](C[SeH])C(=O)O CNP0105616.1 [0,0,0,0,0,0|2,0,2]=4 66 B6R0.3 N[C@@H](C[Se])C(=O)O CNP0539066.1 [0,0,0,0,0,0|2,0,2]=4 67 B6R0.3 N[C@H](CCl)C(=O)O CNP0597943.1 [0,0,0,0,0,0|2,0,2]=4 68 B6R0.3 N[C@H](CO)C(=O)O CNP0275512.2 [0,0,0,0,0,0|2,0,2]=4 69 B6R0.3 N[C@H](CS)C(=O)O CNP0280490.2 [0,0,0,0,0,0|2,0,2]=4 70 B6R0.3 N[C@H](C[SeH])C(=O)O CNP0105616.2 [0,0,0,0,0,0|2,0,2]=4 71 B6R0.3 O=C(O)C(=CBr)Br CNP0109651.0 [0,0,0,0,0,0|2,0,0]=2 72 B6R0.3 O=C(O)C(=CCl)Cl CNP0278545.0 [0,0,0,0,0,0|2,0,0]=2 73 B6R0.3 O=C(O)C(=CI)I CNP0209094.0 [0,0,0,0,0,0|2,0,0]=2 74 B6R0.3 O=C(O)C(=CO)O CNP0197473.0 [0,0,0,0,0,0|2,0,0]=2 75 B6R0.3 O=C(O)C(=O)CO CNP0343498.0 [0,0,0,0,0,0|2,0,1]=3 76 B6R0.3 O=C(O)C(=O)CS CNP0172399.0 [0,0,0,0,0,0|2,0,1]=3 77 B6R0.3 O=C(O)[C@@H](O)CCl CNP0460792.2 [0,0,0,0,0,0|2,0,2]=4 78 B6R0.3 O=C(O)[C@@H](O)CO CNP0264905.2 [0,0,0,0,0,0|2,0,2]=4 79 B6R0.3 O=C(O)[C@@H](O)CS CNP0083519.1 [0,0,0,0,0,0|2,0,2]=4 80 B6R0.3 O=C(O)[C@H](O)CCl CNP0460792.1 [0,0,0,0,0,0|2,0,2]=4 81 B6R0.3 O=C(O)[C@H](O)CO CNP0264905.1 [0,0,0,0,0,0|2,0,2]=4 82 B6R0.3 O=C([O-])C(=O)CS CNP0525904.0 [0,0,0,0,0,0|2,0,2]=4 83 B6R0.3 O=CC(=O)C(=O)O CNP0106243.0 [0,0,0,0,0,0|2,0,0]=2 84 B6R0.3 O=CC(O)C(=O)O CNP0083603.0 [0,0,0,0,0,0|2,0,1]=3 85 B6R0.3 [C-]#[N+][C@@H](C)C(=O)O CNP0523631.1 [0,0,0,0,0,0|1,0,2]=3 86 B5R0.1 C#CCC(=O)O CNP0049385.0 [1,0,0,0,0,0|0,0,3]=4 87 B5R0.1 C=C(C)C=CC CNP0348667.0 [1,0,0,0,0,0|2,0,0]=3 88 B5R0.1 C=C(O)CCC CNP0003382.0 [1,0,0,0,0,0|1,0,2]=4 89 B5R0.1 C=CC=C(C)C CNP0130651.0 [1,0,0,0,0,0|2,0,1]=4 90 B5R0.1 C=CCC(=O)C CNP0385825.0 [1,0,0,0,0,0|1,0,2]=4 91 B5R0.1 C=CCC(=O)N CNP0292806.0 [1,0,0,0,0,0|1,0,2]=4 92 B5R0.1 C=CCC(=O)O CNP0172155.0 [1,0,0,0,0,0|0,0,2]=3 93 B5R0.1 C=COC(=O)C CNP0003526.0 [1,0,0,0,0,0|2,0,1]=4 94 B5R0.1 CC(=CC=O)C CNP0325416.0 [1,0,0,0,0,0|3,0,0]=4 95 B5R0.1 CC(=O)C=NO CNP0397193.0 [1,0,0,0,0,0|3,0,0]=4 96 B5R0.1 CC=CC(=N)S CNP0609462.0 [1,0,0,0,0,0|1,1,0]=3 97 B5R0.1 CC=CC(=O)C CNP0158055.0 [1,0,0,0,0,0|1,0,0]=2 98 B5R0.1 CC=CC(=O)Cl CNP0018733.0 [1,0,0,0,0,0|1,0,0]=2 99 B5R0.1 CC=CC(=O)N CNP0376163.0 [1,0,0,0,0,0|1,0,0]=2 100 B5R0.1 CC=CC(=O)O CNP0379669.0 [1,0,0,0,0,0|0,0,0]=1 101 B5R0.1 CC=CC(=O)S CNP0128183.0 [1,0,0,0,0,0|0,1,0]=2 102 B5R0.1 CC=CC(=S)N CNP0219494.0 [1,0,0,0,0,0|1,1,0]=3 103 B5R0.1 CC=CC(C)C CNP0513218.0 [1,0,0,0,0,0|2,0,1]=4 104 B5R0.1 CC=CC(C)O CNP0150168.0 [1,0,0,0,0,0|1,0,1]=3 105 B5R0.1 CC=CS(=S)O CNP0498878.0 [1,0,0,0,0,0|1,1,0]=3 106 B5R0.1 CCC=C(C)C CNP0331653.0 [1,0,0,0,0,0|2,0,1]=4 107 B5R0.1 CCC=C(C)O CNP0225775.0 [1,0,0,0,0,0|1,0,1]=3 108 B5R0.1 CCCC(=O)C CNP0169448.0 [1,0,0,0,0,0|1,0,2]=4 109 B5R0.1 CCCC(=O)N CNP0115101.0 [1,0,0,0,0,0|1,0,2]=4 110 B5R0.1 CCCC(=O)O CNP0259447.0 [1,0,0,0,0,0|0,0,2]=3 111 B5R0.1 CCCC(=O)[O-] CNP0521413.0 [1,0,0,0,0,0|0,0,3]=4 112 B5R0.1 CCNC(=O)C CNP0260078.0 [1,0,0,0,0,0|2,0,1]=4 113 B5R0.1 CCOC(=O)C CNP0322418.0 [1,0,0,0,0,0|2,0,1]=4 114 B5R0.1 CCOC(=O)N CNP0336700.0 [1,0,0,0,0,0|2,0,1]=4 115 B5R0.1 CCOC(=O)O CNP0166515.0 [1,0,0,0,0,0|1,0,1]=3 116 B5R0.1 CCO[13C](=O)C CNP0577601.0 [1,0,0,0,0,0|2,0,1]=4 117 B5R0.1 CCSC(=O)C CNP0274861.0 [1,0,0,0,0,0|2,0,1]=4 118 B5R0.1 CNCC(=O)O CNP0307073.0 [1,0,0,0,0,0|1,0,1]=3 119 B5R0.1 CNCC(=O)O CNP0563704.0 [1,0,0,0,0,0|1,0,1]=3 120 B5R0.1 CNCC(=O)[O-] CNP0565920.0 [1,0,0,0,0,0|1,0,2]=4 121 B5R0.1 COCC(=O)C CNP0581024.0 [1,0,0,0,0,0|2,0,1]=4 122 B5R0.1 COCC(=O)O CNP0343219.0 [1,0,0,0,0,0|1,0,1]=3 123 B5R0.1 CSCC(=O)C CNP0002513.0 [1,0,0,0,0,0|2,0,1]=4 124 B5R0.1 CSCC(=O)O CNP0447839.0 [1,0,0,0,0,0|1,0,1]=3 125 B5R0.1 C[Se]CC(=O)O CNP0526449.0 [1,0,0,0,0,0|1,0,1]=3 126 B5R0.1 C[Te]CC(=O)O CNP0537189.0 [1,0,0,0,0,0|1,0,1]=3 127 B5R0.1 N#CCC(=O)O CNP0269115.0 [1,0,0,0,0,0|1,0,2]=4 128 B5R0.1 NC(=O)C=CI CNP0204270.0 [1,0,0,0,0,0|2,0,0]=3 129 B5R0.1 NCCC(=O)O CNP0226336.0 [1,0,0,0,0,0|1,0,2]=4 130 B5R0.1 NOCC(=O)O CNP0293826.0 [1,0,0,0,0,0|2,0,1]=4 131 B5R0.1 O=C(O)C=CBr CNP0310992.0 [1,0,0,0,0,0|1,0,0]=2 132 B5R0.1 O=C(O)C=CCl CNP0293481.0 [1,0,0,0,0,0|1,0,0]=2 133 B5R0.1 O=C(O)C=CI CNP0239582.0 [1,0,0,0,0,0|1,0,0]=2 134 B5R0.1 O=C(O)C=NO CNP0286362.0 [1,0,0,0,0,0|2,0,0]=3 135 B5R0.1 O=C(O)CCO CNP0228379.0 [1,0,0,0,0,0|1,0,2]=4 136 B5R0.1 O=C(O)CCS CNP0097385.0 [1,0,0,0,0,0|1,0,2]=4 137 B5R0.1 O=C(O)CNO CNP0316873.0 [1,0,0,0,0,0|2,0,1]=4 138 B5R0.1 O=CC=C(Br)Br CNP0270728.0 [1,0,0,0,0,0|3,0,0]=4 139 B5R0.1 O=CCC(=O)O CNP0149091.0 [1,0,0,0,0,0|1,0,1]=3 140 B5R0.1 [C-]#[N+]CC(=O)O CNP0534475.0 [1,0,0,0,0,0|1,0,2]=4 141 B5R0.3 C=C(C=O)CC CNP0542605.0 [1,0,0,0,0,0|0,0,2]=3 142 B5R0.3 C=CC(=CC)C CNP0134384.0 [1,0,0,0,0,0|1,0,0]=2 143 B5R0.3 C=CC(=O)CC CNP0362181.0 [1,0,0,0,0,0|2,0,1]=4 144 B5R0.3 C=CC(=O)OC CNP0217866.0 [1,0,0,0,0,0|3,0,0]=4 145 B5R0.3 C=C[C@H](C)CO CNP0600503.1 [1,0,0,0,0,0|0,0,3]=4 146 B5R0.3 CC(=NO)CO CNP0284253.0 [1,0,0,0,0,0|2,0,1]=4 147 B5R0.3 CC=C(C)C=O CNP0281160.0 [1,0,0,0,0,0|0,0,0]=1 148 B5R0.3 CC=C(C)CC CNP0247687.0 [1,0,0,0,0,0|1,0,1]=3 149 B5R0.3 CC=C(C)CO CNP0120418.0 [1,0,0,0,0,0|0,0,1]=2 150 B5R0.3 CCC(=CS)C CNP0025997.0 [1,0,0,0,0,0|0,1,1]=3 151 B5R0.3 CCC(=O)C=O CNP0301331.0 [1,0,0,0,0,0|1,0,1]=3 152 B5R0.3 CCC(=O)CO CNP0165007.0 [1,0,0,0,0,0|1,0,2]=4 153 B5R0.3 CC[C@@H](C)C=O CNP0220551.2 [1,0,0,0,0,0|0,0,2]=3 154 B5R0.3 CC[C@@H](C)CO CNP0185673.1 [1,0,0,0,0,0|0,0,3]=4 155 B5R0.3 CC[C@H](C)C=O CNP0220551.1 [1,0,0,0,0,0|0,0,2]=3 156 B5R0.3 CC[C@H](C)CO CNP0185673.2 [1,0,0,0,0,0|0,0,3]=4 157 B5R0.3 CN(C=O)CO CNP0412364.0 [1,0,0,0,0,0|2,0,1]=4 158 B5R0.3 COC(C)CO CNP0485411.0 [1,0,0,0,0,0|1,0,2]=4 159 B5R0.3 O=CC(=CO)O CNP0278717.0 [1,0,0,0,0,0|2,0,0]=3 160 B5R0.3 O=CC(O)C=O CNP0083225.0 [1,0,0,0,0,0|2,0,1]=4 161 B5R0.5 C=C(C)C(=C)C CNP0186706.0 [1,0,0,0,0,0|2,0,0]=3 162 B5R0.5 C=C(C)C(=O)C CNP0137327.0 [1,0,0,0,0,0|1,0,0]=2 163 B5R0.5 C=C(C)C(=O)Cl CNP0281632.0 [1,0,0,0,0,0|1,0,0]=2 164 B5R0.5 C=C(C)C(=O)N CNP0186369.0 [1,0,0,0,0,0|1,0,0]=2 165 B5R0.5 C=C(C)C(=O)O CNP0147624.0 [1,0,0,0,0,0|0,0,0]=1 166 B5R0.5 C=C(C)[C@@H](C)O CNP0221154.1 [1,0,0,0,0,0|1,0,1]=3 167 B5R0.5 C=C(C)[C@H](C)O CNP0221154.2 [1,0,0,0,0,0|1,0,1]=3 168 B5R0.5 C=C(Cl)C(=O)Cl CNP0018136.0 [1,0,0,0,0,0|2,0,0]=3 169 B5R0.5 C=C(Cl)C(=O)N CNP0229491.0 [1,0,0,0,0,0|2,0,0]=3 170 B5R0.5 C=C(Cl)C(=O)O CNP0239649.0 [1,0,0,0,0,0|1,0,0]=2 171 B5R0.5 C=C(N)C(=O)N CNP0591175.0 [1,0,0,0,0,0|2,0,0]=3 172 B5R0.5 C=C(N)C(=O)O CNP0224979.0 [1,0,0,0,0,0|1,0,0]=2 173 B5R0.5 C=C(O)C(=O)O CNP0422136.0 [1,0,0,0,0,0|1,0,0]=2 174 B5R0.5 C=C(O)C(C)C CNP0150035.0 [1,0,0,0,0,0|1,0,1]=3 175 B5R0.5 CC(=C(C)C)C CNP0192659.0 [1,0,0,0,0,0|2,0,0]=3 176 B5R0.5 CC(=C(C)O)C CNP0164530.0 [1,0,0,0,0,0|1,0,0]=2 177 B5R0.5 CC(=N)C(=O)O CNP0556238.0 [1,0,0,0,0,0|1,0,0]=2 178 B5R0.5 CC(=O)C(=O)C CNP0153215.0 [1,0,0,0,0,0|2,0,0]=3 179 B5R0.5 CC(=O)C(=O)N CNP0289593.0 [1,0,0,0,0,0|2,0,0]=3 180 B5R0.5 CC(=O)C(=O)O CNP0269827.0 [1,0,0,0,0,0|1,0,0]=2 181 B5R0.5 CC(=O)C(C)C CNP0209504.0 [1,0,0,0,0,0|1,0,1]=3 182 B5R0.5 CC(=O)C(C)S CNP0409589.0 [1,0,0,0,0,0|2,0,1]=4 183 B5R0.5 CC(=O)C(O)O CNP0547141.0 [1,0,0,0,0,0|1,0,2]=4 184 B5R0.5 CC(=O)N(C)C CNP0083052.0 [1,0,0,0,0,0|2,0,0]=3 185 B5R0.5 CC(=O)[C@@H](C)O CNP0395416.2 [1,0,0,0,0,0|2,0,1]=4 186 B5R0.5 CC(=O)[C@H](C)O CNP0395416.1 [1,0,0,0,0,0|2,0,1]=4 187 B5R0.5 CC(C)C(=O)Cl CNP0337045.0 [1,0,0,0,0,0|1,0,1]=3 188 B5R0.5 CC(C)C(=O)N CNP0226996.0 [1,0,0,0,0,0|1,0,1]=3 189 B5R0.5 CC(C)C(=O)O CNP0197560.0 [1,0,0,0,0,0|0,0,1]=2 190 B5R0.5 CC(C)[C@@H](C)O CNP0315380.1 [1,0,0,0,0,0|1,0,2]=4 191 B5R0.5 CC(C)[C@H](C)O CNP0315380.2 [1,0,0,0,0,0|1,0,2]=4 192 B5R0.5 CC(C)[N+](=O)[O-] CNP0587963.0 [1,0,0,0,0,0|1,0,2]=4 193 B5R0.5 CC(O)C(=O)[O-] CNP0519619.0 [1,0,0,0,0,0|1,0,2]=4 194 B5R0.5 CC(O)C(=O)[O-] CNP0556254.0 [1,0,0,0,0,0|1,0,2]=4 195 B5R0.5 CC(O)C(=O)[O-] CNP0561690.0 [1,0,0,0,0,0|1,0,2]=4 196 B5R0.5 CC(O)C(=O)[O-] CNP0579849.0 [1,0,0,0,0,0|1,0,2]=4 197 B5R0.5 CC(O)C(=O)[O-] CNP0592207.0 [1,0,0,0,0,0|1,0,2]=4 198 B5R0.5 CN(C)C(=N)N CNP0155822.0 [1,0,0,0,0,0|3,0,0]=4 199 B5R0.5 CN(C)C(=S)S CNP0033815.0 [1,0,0,0,0,0|1,2,0]=4 200 B5R0.5 C[C@@H](N)C(=O)O CNP0313085.2 [1,0,0,0,0,0|1,0,1]=3 201 B5R0.5 C[C@@H](O)C(=O)O CNP0232038.2 [1,0,0,0,0,0|1,0,1]=3 202 B5R0.5 C[C@H](N)C(=O)O CNP0313085.1 [1,0,0,0,0,0|1,0,1]=3 203 B5R0.5 C[C@H](O)C(=O)O CNP0232038.1 [1,0,0,0,0,0|1,0,1]=3 204 B5R0.5 C[C@H](S)C(=O)O CNP0223404.1 [1,0,0,0,0,0|1,0,1]=3 205 B5R0.5 NC(=O)C(=O)N CNP0365298.0 [1,0,0,0,0,0|3,0,0]=4 206 B5R0.5 NC(=O)C(=O)O CNP0300477.0 [1,0,0,0,0,0|2,0,0]=3 207 B5R0.5 N[C@H](O)C(=O)O CNP0294076.1 [1,0,0,0,0,0|2,0,1]=4 208 B5R0.5 O=C(Br)C(=O)Br CNP0244658.0 [1,0,0,0,0,0|3,0,0]=4 209 B5R0.5 O=C(O)C(=O)O CNP0235859.0 [1,0,0,0,0,0|2,0,0]=3 210 B5R0.5 O=C(O)C(Br)Br CNP0111357.0 [1,0,0,0,0,0|2,0,1]=4 211 B5R0.5 O=C(O)C(Cl)Cl CNP0151680.0 [1,0,0,0,0,0|2,0,1]=4 212 B5R0.5 O=C(O)C(I)I CNP0320084.0 [1,0,0,0,0,0|2,0,1]=4 213 B5R0.5 O=C(O)C(O)O CNP0603869.0 [1,0,0,0,0,0|2,0,1]=4 214 B5R0.5 O=C(O)[C@@H](Cl)Br CNP0017815.1 [1,0,0,0,0,0|2,0,1]=4 215 B5R0.5 O=C(O)[C@@H](Cl)I CNP0145949.2 [1,0,0,0,0,0|2,0,1]=4 216 B5R0.5 O=C(O)[C@H](Br)I CNP0246601.1 [1,0,0,0,0,0|2,0,1]=4 217 B5R0.5 O=C(O)[C@H](Cl)I CNP0145949.1 [1,0,0,0,0,0|2,0,1]=4 218 B5R0.5 O=[13C](O)[13C](=O)O CNP0502595.0 [1,0,0,0,0,0|2,0,0]=3 219 B7R0.5 C=C(C)C(C)C=CC CNP0579176.0 [0,1,0,0,0,0|2,0,1]=4 220 B7R0.5 C=C(CCN)C(=O)O CNP0291146.0 [0,1,0,0,0,0|0,0,2]=3 221 B7R0.5 C=C(CCO)C(=O)O CNP0185726.0 [0,1,0,0,0,0|0,0,2]=3 222 B7R0.5 C=C(O)C(=O)OCC CNP0311886.0 [0,1,0,0,0,0|2,0,1]=4 223 B7R0.5 C=C=CC(=O)C(=O)O CNP0083854.0 [0,1,0,0,0,0|1,0,1]=3 224 B7R0.5 C=CC=C(O)C(=O)O CNP0566102.0 [0,1,0,0,0,0|1,0,1]=3 225 B7R0.5 C=CCC(C)C(=O)O CNP0293941.0 [0,1,0,0,0,0|0,0,2]=3 226 B7R0.5 C=CC[C@@H](N)C(=O)O CNP0299155.1 [0,1,0,0,0,0|1,0,2]=4 227 B7R0.5 C=CC[C@H](N)C(=O)O CNP0299155.2 [0,1,0,0,0,0|1,0,2]=4 228 B7R0.5 CC(=CCO)C(=O)O CNP0200165.0 [0,1,0,0,0,0|0,0,0]=1 229 B7R0.5 CC(=CCO)C(C)C CNP0253008.0 [0,1,0,0,0,0|2,0,1]=4 230 B7R0.5 CC(=O)C(=CC=O)C CNP0268204.0 [0,1,0,0,0,0|1,0,1]=3 231 B7R0.5 CC(=O)C(=O)CCO CNP0018467.0 [0,1,0,0,0,0|2,0,1]=4 232 B7R0.5 CC=CC(=O)C(=O)O CNP0553247.0 [0,1,0,0,0,0|1,0,0]=2 233 B7R0.5 CC=CC(C)C(=O)O CNP0085321.0 [0,1,0,0,0,0|0,0,1]=2 234 B7R0.5 CCC=C(C)C(=O)O CNP0133224.0 [0,1,0,0,0,0|0,0,0]=1 235 B7R0.5 CCCC(=O)C(=O)C CNP0318298.0 [0,1,0,0,0,0|2,0,1]=4 236 B7R0.5 CCCC(=O)C(=O)N CNP0302137.0 [0,1,0,0,0,0|2,0,1]=4 237 B7R0.5 CCCC(=O)C(=O)O CNP0186110.0 [0,1,0,0,0,0|1,0,1]=3 238 B7R0.5 CCCC(C)C(=O)C CNP0145602.0 [0,1,0,0,0,0|1,0,2]=4 239 B7R0.5 CCC[C@@H](C)C(=O)Cl CNP0181182.1 [0,1,0,0,0,0|1,0,2]=4 240 B7R0.5 CCC[C@@H](C)C(=O)N CNP0263004.1 [0,1,0,0,0,0|1,0,2]=4 241 B7R0.5 CCC[C@@H](C)C(=O)O CNP0218134.2 [0,1,0,0,0,0|0,0,2]=3 242 B7R0.5 CCC[C@@H](N)C(=O)O CNP0198245.2 [0,1,0,0,0,0|1,0,2]=4 243 B7R0.5 CCC[C@H](C)C(=O)Cl CNP0181182.2 [0,1,0,0,0,0|1,0,2]=4 244 B7R0.5 CCC[C@H](C)C(=O)N CNP0263004.2 [0,1,0,0,0,0|1,0,2]=4 245 B7R0.5 CCC[C@H](C)C(=O)O CNP0218134.1 [0,1,0,0,0,0|0,0,2]=3 246 B7R0.5 CCC[C@H](N)C(=O)O CNP0198245.1 [0,1,0,0,0,0|1,0,2]=4 247 B7R0.5 CCC[C@H](O)C(=O)O CNP0107771.1 [0,1,0,0,0,0|1,0,2]=4 248 B7R0.5 CCOC(=O)C(=O)C CNP0125982.0 [0,1,0,0,0,0|2,0,1]=4 249 B7R0.5 CCOC(C)C(=O)C CNP0496996.0 [0,1,0,0,0,0|1,0,2]=4 250 B7R0.5 CNC[C@@H](N)C(=O)O CNP0237559.2 [0,1,0,0,0,0|1,0,2]=4 251 B7R0.5 CNC[C@H](N)C(=O)O CNP0237559.1 [0,1,0,0,0,0|1,0,2]=4 252 B7R0.5 CSC[C@@H](N)C(=O)O CNP0391530.2 [0,1,0,0,0,0|1,0,2]=4 253 B7R0.5 CSC[C@H](N)C(=O)O CNP0391530.1 [0,1,0,0,0,0|1,0,2]=4 254 B7R0.5 C[C@@H](CCN)C(=O)O CNP0117278.1 [0,1,0,0,0,0|0,0,2]=3 255 B7R0.5 C[C@H](CCN)C(=O)O CNP0117278.2 [0,1,0,0,0,0|0,0,2]=3 256 B7R0.5 C[Se]C[C@H](N)C(=O)O CNP0420303.1 [0,1,0,0,0,0|1,0,2]=4 257 B7R0.5 NCC[C@@H](N)C(=O)O CNP0283118.2 [0,1,0,0,0,0|1,0,2]=4 258 B7R0.5 NCC[C@H](N)C(=O)O CNP0283118.1 [0,1,0,0,0,0|1,0,2]=4 259 B7R0.5 N[C@@H](CC=O)C(=O)O CNP0119915.1 [0,1,0,0,0,0|2,0,1]=4 260 B7R0.5 N[C@@H](CCO)C(=O)O CNP0287745.2 [0,1,0,0,0,0|1,0,2]=4 261 B7R0.5 N[C@@H](CCS)C(=O)O CNP0193002.1 [0,1,0,0,0,0|1,0,2]=4 262 B7R0.5 N[C@@H](CC[SeH])C(=O)O CNP0083667.1 [0,1,0,0,0,0|1,0,2]=4 263 B7R0.5 N[C@H](CC=O)C(=O)O CNP0119915.2 [0,1,0,0,0,0|2,0,1]=4 264 B7R0.5 N[C@H](CCO)C(=O)O CNP0287745.3 [0,1,0,0,0,0|1,0,2]=4 265 B7R0.5 N[C@H](CCS)C(=O)O CNP0193002.2 [0,1,0,0,0,0|1,0,2]=4 266 B7R0.5 O=C(O)C(=O)CCO CNP0361332.0 [0,1,0,0,0,0|1,0,1]=3 267 B7R0.5 O=C(O)C(O)CCO CNP0218005.0 [0,1,0,0,0,0|1,0,2]=4 268 B7R0.5 O=CCC(=O)C(=O)O CNP0065471.0 [0,1,0,0,0,0|2,0,0]=3 269 B7R0.10 C=CC(=O)C(C)CC CNP0127244.0 [0,1,0,0,0,0|1,0,2]=4 270 B7R0.10 CC(=CN)C(=O)OO CNP0124097.0 [0,1,0,0,0,0|1,0,0]=2 271 B7R0.10 CC(=NO)C(=NO)C CNP0126463.0 [0,1,0,0,0,0|3,0,0]=4 272 B7R0.10 CC=C(C)C(=CC)C CNP0611340.0 [0,1,0,0,0,0|2,0,0]=3 273 B7R0.10 CC=C(C)C(=O)CC CNP0305910.0 [0,1,0,0,0,0|1,0,0]=2 274 B7R0.10 CC=C(C)C(=O)OC CNP0136936.0 [0,1,0,0,0,0|0,0,0]=1 275 B7R0.10 CCC(=O)C(=CN)C CNP0051930.0 [0,1,0,0,0,0|2,0,0]=3 276 B7R0.10 CCC(=O)C(=O)CC CNP0249046.0 [0,1,0,0,0,0|2,0,1]=4 277 B7R0.10 CCC(=O)[C@@H](C)CC CNP0326368.2 [0,1,0,0,0,0|1,0,2]=4 278 B7R0.10 CCC(=O)[C@H](C)CC CNP0326368.1 [0,1,0,0,0,0|1,0,2]=4 279 B7R0.10 CCC(O)C(=O)OC CNP0611994.0 [0,1,0,0,0,0|1,0,2]=4 280 B7R0.10 CC[C@@H](C)C(=O)OC CNP0253021.1 [0,1,0,0,0,0|0,0,2]=3 281 B7R0.10 CC[C@H](C)C(=O)OC CNP0253021.2 [0,1,0,0,0,0|0,0,2]=3 282 B7R0.10 CNC(=O)C(=O)NC CNP0130900.0 [0,1,0,0,0,0|3,0,0]=4 283 B7R0.10 CN[C@@H](C)C(=O)OC CNP0066351.2 [0,1,0,0,0,0|1,0,1]=3 284 B7R0.10 CN[C@H](C)C(=O)OC CNP0066351.1 [0,1,0,0,0,0|1,0,1]=3 285 B7R0.10 COC(=O)C(=CBr)Br CNP0300706.0 [0,1,0,0,0,0|2,0,0]=3 286 B7R0.10 COC(=O)C(=CCl)Cl CNP0234657.0 [0,1,0,0,0,0|2,0,0]=3 287 B7R0.10 COC(=O)C(=CI)I CNP0239828.0 [0,1,0,0,0,0|2,0,0]=3 288 B7R0.10 COC(=O)C(=O)OC CNP0349615.0 [0,1,0,0,0,0|2,0,0]=3 289 B7R0.10 COC(=O)C(C)CO CNP0487988.0 [0,1,0,0,0,0|1,0,2]=4 290 B7R0.10 COC(=O)[C@H](C)C=O CNP0094897.1 [0,1,0,0,0,0|1,0,1]=3 291 B7R0.10 NOC(=O)C(=O)ON CNP0440207.0 [0,1,0,0,0,0|3,0,0]=4 292 B7R0.10 O=C(CBr)C(=CBr)Br CNP0108777.0 [0,1,0,0,0,0|3,0,0]=4 293 B7R0.10 O=C(CBr)C(=CBr)Cl CNP0017695.0 [0,1,0,0,0,0|3,0,0]=4 294 B7R0.10 O=C(CCl)C(=CBr)Br CNP0341376.0 [0,1,0,0,0,0|3,0,0]=4 295 B7R0.10 O=C(CI)C(=CBr)Br CNP0111575.0 [0,1,0,0,0,0|3,0,0]=4 296 B7R0.13 CC(C)(CO)C(=O)O CNP0611685.0 [0,1,0,0,0,0|1,0,2]=4 297 B7R0.13 CC(O)(CO)C(=O)O CNP0027858.0 [0,1,0,0,0,0|1,0,2]=4 298 B7R0.13 CCC(C)(C)C(=O)O CNP0573336.0 [0,1,0,0,0,0|0,0,2]=3 299 B7R0.13 CC[C@@](C)(N)C(=O)O CNP0244941.2 [0,1,0,0,0,0|0,0,2]=3 300 B7R0.13 CC[C@@](C)(O)C(=O)N CNP0151624.1 [0,1,0,0,0,0|1,0,2]=4 301 B7R0.13 CC[C@@](C)(O)C(=O)O CNP0382124.1 [0,1,0,0,0,0|0,0,2]=3 302 B7R0.13 CC[C@](C)(N)C(=O)O CNP0244941.1 [0,1,0,0,0,0|0,0,2]=3 303 B7R0.13 CC[C@](C)(O)C(=O)O CNP0382124.2 [0,1,0,0,0,0|0,0,2]=3 304 B7R0.13 CNC(C)(C)C(=O)O CNP0083839.0 [0,1,0,0,0,0|1,0,1]=3 305 B7R0.13 C[C@@](N)(CO)C(=O)O CNP0259604.2 [0,1,0,0,0,0|1,0,2]=4 306 B7R0.13 C[C@](N)(CO)C(=O)O CNP0259604.1 [0,1,0,0,0,0|1,0,2]=4 307 B7R0.14 O=P(O)(O)C(=CCl)O CNP0334311.0 [0,1,0,0,0,0|3,0,0]=4 308 B7R0.15 CC=C(CO)C(=O)O CNP0149577.0 [0,1,0,0,0,0|0,0,0]=1 309 B7R0.15 CC=C(NC)C(=O)O CNP0549286.0 [0,1,0,0,0,0|0,0,0]=1 310 B7R0.15 CCC(CC)C(=O)C CNP0229208.0 [0,1,0,0,0,0|1,0,2]=4 311 B7R0.15 CCC(CC)C(=O)Cl CNP0201828.0 [0,1,0,0,0,0|1,0,2]=4 312 B7R0.15 CCC(CC)C(=O)N CNP0189423.0 [0,1,0,0,0,0|1,0,2]=4 313 B7R0.15 CCC(CC)C(=O)O CNP0174903.0 [0,1,0,0,0,0|0,0,2]=3 314 B7R0.15 CCC(CO)C(=O)O CNP0245703.0 [0,1,0,0,0,0|0,0,2]=3 315 B7R0.15 CC[C@@H](NC)C(=O)O CNP0244843.1 [0,1,0,0,0,0|0,0,2]=3 316 B7R0.15 CN[C@@H](CN)C(=O)O CNP0572374.2 [0,1,0,0,0,0|1,0,1]=3 317 B7R0.15 CN[C@@H](CO)C(=O)O CNP0106958.1 [0,1,0,0,0,0|1,0,1]=3 318 B7R0.15 CN[C@H](CN)C(=O)O CNP0572374.1 [0,1,0,0,0,0|1,0,1]=3 319 B7R0.15 CN[C@H](CO)C(=O)O CNP0106958.2 [0,1,0,0,0,0|1,0,1]=3 320 B7R0.15 NC[C@@H](CO)C(=O)O CNP0523802.1 [0,1,0,0,0,0|1,0,2]=4 321 B7R0.15 O=C(O)C(=CCl)CCl CNP0275314.0 [0,1,0,0,0,0|1,0,0]=2 322 B7R0.15 O=C(O)C(CI)CI CNP0474243.0 [0,1,0,0,0,0|1,0,2]=4 323 B7R0.15 O=C(O)C(CS)CS CNP0329155.0 [0,1,0,0,0,0|1,0,2]=4 324 B7R0.16 C=C(C(=O)O)[C@@H](C)O CNP0180552.2 [0,1,0,0,0,0|0,0,2]=3 325 B7R0.16 C=C(C(=O)O)[C@H](C)O CNP0180552.1 [0,1,0,0,0,0|0,0,2]=3 326 B7R0.16 CC(=C(C)C(=O)O)C CNP0298281.0 [0,1,0,0,0,0|0,0,0]=1 327 B7R0.16 CC(=C(O)C(=O)O)C CNP0081972.0 [0,1,0,0,0,0|1,0,0]=2 328 B7R0.16 CC(=O)C(=C(Br)Br)Br CNP0266625.0 [0,1,0,0,0,0|3,0,0]=4 329 B7R0.16 CC(=O)C(=C(Br)Br)Cl CNP0369755.0 [0,1,0,0,0,0|3,0,0]=4 330 B7R0.16 CC(=O)C(=N)C(=O)O CNP0486933.0 [0,1,0,0,0,0|1,0,0]=2 331 B7R0.16 CC(=O)C(=N)C(=O)[O] CNP0577857.0 [0,1,0,0,0,0|1,0,1]=3 332 B7R0.16 CC(=O)C(=O)C(C)C CNP0264212.0 [0,1,0,0,0,0|2,0,1]=4 333 B7R0.16 CC(=O)C(C)C(=O)C CNP0423013.0 [0,1,0,0,0,0|1,0,1]=3 334 B7R0.16 CC(=O)C(C)C(=O)O CNP0002342.0 [0,1,0,0,0,0|0,0,1]=2 335 B7R0.16 CC(=O)N(C)C(=O)C CNP0313606.0 [0,1,0,0,0,0|2,0,0]=3 336 B7R0.16 CC(=O)N(C)C(C)C CNP0111110.0 [0,1,0,0,0,0|2,0,1]=4 337 B7R0.16 CC(=O)[C@H](N)C(=O)O CNP0211201.1 [0,1,0,0,0,0|1,0,1]=3 338 B7R0.16 CC(C(=O)N)C(=O)N CNP0110933.0 [0,1,0,0,0,0|2,0,1]=4 339 B7R0.16 CC(C(=O)O)C(=O)O CNP0415806.0 [0,1,0,0,0,0|1,0,1]=3 340 B7R0.16 CC(C)C(=O)C(=O)N CNP0124089.0 [0,1,0,0,0,0|2,0,1]=4 341 B7R0.16 CC(C)C(=O)C(=O)O CNP0207859.0 [0,1,0,0,0,0|1,0,1]=3 342 B7R0.16 CC(C)[C@@H](N)C(=O)O CNP0152507.2 [0,1,0,0,0,0|1,0,2]=4 343 B7R0.16 CC(C)[C@@H](O)C(=O)O CNP0267024.1 [0,1,0,0,0,0|1,0,2]=4 344 B7R0.16 CC(C)[C@H](N)C(=O)O CNP0152507.1 [0,1,0,0,0,0|1,0,2]=4 345 B7R0.16 CC(C)[C@H](O)C(=O)O CNP0267024.2 [0,1,0,0,0,0|1,0,2]=4 346 B7R0.16 CN(C)C(=O)C(=O)O CNP0288655.0 [0,1,0,0,0,0|2,0,0]=3 347 B7R0.16 C[C@@H](Br)[C@@H](Br)C(=O)O CNP0447694.2 [0,1,0,0,0,0|1,0,2]=4 348 B7R0.16 C[C@@H](Br)[C@H](Br)C(=O)O CNP0447694.4 [0,1,0,0,0,0|1,0,2]=4 349 B7R0.16 C[C@@H](C(=O)N)C(=O)O CNP0423688.1 [0,1,0,0,0,0|1,0,1]=3 350 B7R0.16 C[C@@H](C(=O)O)N(C)C CNP0605647.1 [0,1,0,0,0,0|1,0,1]=3 351 B7R0.16 C[C@@H](N)[C@@H](N)C(=O)O CNP0271750.2 [0,1,0,0,0,0|1,0,2]=4 352 B7R0.16 C[C@@H](N)[C@H](N)C(=O)O CNP0271750.3 [0,1,0,0,0,0|1,0,2]=4 353 B7R0.16 C[C@@H](O)C(=O)C(=O)O CNP0287171.1 [0,1,0,0,0,0|1,0,1]=3 354 B7R0.16 C[C@@H](O)C(N)C(=O)O CNP0361197.2 [0,1,0,0,0,0|1,0,2]=4 355 B7R0.16 C[C@@H](O)[C@@H](C)C(=O)O CNP0176980.1 [0,1,0,0,0,0|0,0,2]=3 356 B7R0.16 C[C@@H](O)[C@@H](N)C(=O)O CNP0361197.5 [0,1,0,0,0,0|1,0,2]=4 357 B7R0.16 C[C@@H](O)[C@@H](O)C(=O)O CNP0082312.1 [0,1,0,0,0,0|1,0,2]=4 358 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O CNP0361197.1 [0,1,0,0,0,0|1,0,2]=4 359 B7R0.16 C[C@@H](O)[C@H](O)C(=O)O CNP0082312.2 [0,1,0,0,0,0|1,0,2]=4 360 B7R0.16 C[C@@H](S)[C@@H](N)C(=O)O CNP0290431.3 [0,1,0,0,0,0|1,0,2]=4 361 B7R0.16 C[C@@H](S)[C@H](N)C(=O)O CNP0290431.1 [0,1,0,0,0,0|1,0,2]=4 362 B7R0.16 C[C@H](Br)[C@@H](Br)C(=O)O CNP0447694.1 [0,1,0,0,0,0|1,0,2]=4 363 B7R0.16 C[C@H](Br)[C@H](Br)C(=O)O CNP0447694.3 [0,1,0,0,0,0|1,0,2]=4 364 B7R0.16 C[C@H](C(=O)O)[C@@H](C)O CNP0176980.3 [0,1,0,0,0,0|0,0,2]=3 365 B7R0.16 C[C@H](N)[C@@H](N)C(=O)O CNP0271750.4 [0,1,0,0,0,0|1,0,2]=4 366 B7R0.16 C[C@H](N)[C@H](N)C(=O)O CNP0271750.1 [0,1,0,0,0,0|1,0,2]=4 367 B7R0.16 C[C@H](O)[C@@H](C)C(=O)O CNP0176980.2 [0,1,0,0,0,0|0,0,2]=3 368 B7R0.16 C[C@H](O)[C@@H](N)C(=O)O CNP0361197.4 [0,1,0,0,0,0|1,0,2]=4 369 B7R0.16 C[C@H](O)[C@H](C)C(=O)O CNP0176980.4 [0,1,0,0,0,0|0,0,2]=3 370 B7R0.16 C[C@H](O)[C@H](N)C(=O)O CNP0361197.3 [0,1,0,0,0,0|1,0,2]=4 371 B7R0.16 C[C@H](S)[C@@H](N)C(=O)O CNP0290431.2 [0,1,0,0,0,0|1,0,2]=4 372 B7R0.16 C[C@H](S)[C@H](N)C(=O)O CNP0290431.4 [0,1,0,0,0,0|1,0,2]=4 373 B7R0.16 NC(C(=O)O)C(=O)O CNP0385563.0 [0,1,0,0,0,0|2,0,1]=4 374 B7R0.16 O=C(O)C(=C(Br)Br)Br CNP0296923.0 [0,1,0,0,0,0|2,0,0]=3 375 B7R0.16 O=C(O)C(=C(Br)Br)I CNP0355639.0 [0,1,0,0,0,0|2,0,0]=3 376 B7R0.16 O=C(O)C(=C(Br)I)Br CNP0305118.0 [0,1,0,0,0,0|2,0,0]=3 377 B7R0.16 O=C(O)C(=O)C(=O)O CNP0307436.0 [0,1,0,0,0,0|2,0,0]=3 378 B7R0.16 O=C(O)C(O)C(=O)O CNP0230174.0 [0,1,0,0,0,0|2,0,1]=4 379 B7R0.16 [13CH3][13CH]([13CH3])[13C@H]([15NH2])[13C](=O)O CNP0152507.4 [0,1,0,0,0,0|1,0,2]=4 380 B7R1.4 C=C1CCOC1=O CNP0195400.0 [0,0,0,1,0,0|0,0,2]=3 381 B7R1.4 CC1=C(C=CO1)S CNP0164644.0 [0,0,0,1,0,0|2,0,1]=4 382 B7R1.4 CC1=C(CCC1)C CNP0231911.0 [0,0,0,1,0,0|2,0,1]=4 383 B7R1.4 CC1=C(CCO1)S CNP0002471.0 [0,0,0,1,0,0|2,0,1]=4 384 B7R1.4 CC1=C(CCS1)S CNP0191881.0 [0,0,0,1,0,0|2,1,0]=4 385 B7R1.4 CC1=C(OC=C1)C CNP0003373.0 [0,0,0,1,0,0|1,0,1]=3 386 B7R1.4 CC1=C(OC=N1)C CNP0381146.0 [0,0,0,1,0,0|2,0,1]=4 387 B7R1.4 CC1=C(SC=C1)C CNP0003149.0 [0,0,0,1,0,0|1,1,1]=4 388 B7R1.4 CC1=CCCC1=O CNP0196465.0 [0,0,0,1,0,0|1,0,0]=2 389 B7R1.4 CC1=CCOC1=O CNP0216253.0 [0,0,0,1,0,0|0,0,0]=1 390 B7R1.4 CC1=CSC=C1C CNP0084292.0 [0,0,0,1,0,0|3,0,0]=4 391 B7R1.4 CC1=NCNC1=O CNP0353390.0 [0,0,0,1,0,0|2,0,0]=3 392 B7R1.4 CC1SCCC1=O CNP0395315.0 [0,0,0,1,0,0|2,0,1]=4 393 B7R1.4 CN1CCCC1=O CNP0203476.0 [0,0,0,1,0,0|2,0,1]=4 394 B7R1.4 CN1CCOC1=S CNP0208839.0 [0,0,0,1,0,0|1,1,1]=4 395 B7R1.4 C[C@@H]1CCCC1=O CNP0165073.2 [0,0,0,1,0,0|1,0,2]=4 396 B7R1.4 C[C@@H]1CCOC1=O CNP0290908.1 [0,0,0,1,0,0|0,0,2]=3 397 B7R1.4 C[C@@H]1OCCC1=O CNP0116291.1 [0,0,0,1,0,0|2,0,1]=4 398 B7R1.4 C[C@H]1CCCC1=O CNP0165073.1 [0,0,0,1,0,0|1,0,2]=4 399 B7R1.4 C[C@H]1CCOC1=O CNP0290908.2 [0,0,0,1,0,0|0,0,2]=3 400 B7R1.4 C[C@H]1OCCC1=O CNP0116291.2 [0,0,0,1,0,0|2,0,1]=4 401 B7R1.4 N[C@@H]1CCOC1=O CNP0258027.3 [0,0,0,1,0,0|1,0,2]=4 402 B7R1.4 N[C@H]1CCOC1=O CNP0258027.2 [0,0,0,1,0,0|1,0,2]=4 403 B7R1.4 O=C1C=CCC1=O CNP0612212.0 [0,0,0,1,0,0|2,0,1]=4 404 B7R1.4 O=C1CCC=C1O CNP0104225.0 [0,0,0,1,0,0|2,0,0]=3 405 B7R1.4 O=C1CCCC1=O CNP0086052.0 [0,0,0,1,0,0|2,0,1]=4 406 B7R1.4 O=C1OCC=C1O CNP0541078.0 [0,0,0,1,0,0|1,0,0]=2 407 B7R1.4 OC1=C(OC=C1)O CNP0548112.0 [0,0,0,1,0,0|1,0,2]=4 408 B7R1.12 C=C1CC1C(=O)C CNP0082059.0 [0,0,0,1,0,0|1,0,2]=4 409 B7R1.12 CC(=O)C1C=C1C CNP0335802.0 [0,0,0,1,0,0|1,0,2]=4 410 B7R1.12 CC1=N[C@H]1C(=O)O CNP0318344.1 [0,0,0,1,0,0|1,0,1]=3 411 B7R1.15 C[C@@H]1OC(=O)[C@@H]1N CNP0339409.1 [0,0,0,1,0,0|1,0,2]=4 412 B7R1.15 O=C1C=C(C1=O)O CNP0313124.0 [0,0,0,1,0,0|3,0,0]=4 413 B7R1.18 CC(=O)C1CCS1 CNP0002501.0 [0,0,0,1,0,0|2,0,1]=4 414 B7R1.18 O=C(O)[C@@H]1CCN1 CNP0146840.1 [0,0,0,1,0,0|1,0,1]=3 415 B7R1.18 O=C(O)[C@H]1CCN1 CNP0146840.2 [0,0,0,1,0,0|1,0,1]=3 416 B7R1.19 NC1(CC1)C(=O)O CNP0418127.0 [0,0,0,1,0,0|1,0,2]=4 417 B7R0.2 C=C[C@H](O)CC(=O)O CNP0357372.1 [0,0,0,0,0,1|1,0,2]=4 418 B7R0.2 CC(=O)CC(=NO)C CNP0221601.0 [0,0,0,0,0,1|3,0,0]=4 419 B7R0.2 CC(=O)OC(C)C=O CNP0528164.0 [0,0,0,0,0,1|2,0,1]=4 420 B7R0.2 CC(CO)CC(=O)O CNP0350905.0 [0,0,0,0,0,1|1,0,2]=4 421 B7R0.2 CC=C(C)CC(=O)N CNP0143814.0 [0,0,0,0,0,1|1,0,0]=2 422 B7R0.2 CC=C(C)CC(=O)O CNP0178168.0 [0,0,0,0,0,1|0,0,0]=1 423 B7R0.2 CCC(=CC(=O)C)C CNP0380051.0 [0,0,0,0,0,1|1,0,1]=3 424 B7R0.2 CCC(=CC(=O)O)C CNP0340018.0 [0,0,0,0,0,1|0,0,1]=2 425 B7R0.2 CCC(=O)CC(=O)O CNP0066606.0 [0,0,0,0,0,1|1,0,1]=3 426 B7R0.2 CCC(=O)NC(=O)C CNP0168988.0 [0,0,0,0,0,1|2,0,1]=4 427 B7R0.2 CCC(C)CC(=O)C CNP0555982.0 [0,0,0,0,0,1|1,0,2]=4 428 B7R0.2 CC[C@@H](C)CC(=O)O CNP0258429.2 [0,0,0,0,0,1|0,0,2]=3 429 B7R0.2 CC[C@@H](C)OC(=O)C CNP0076550.2 [0,0,0,0,0,1|1,0,2]=4 430 B7R0.2 CC[C@H](C)CC(=O)Cl CNP0111918.1 [0,0,0,0,0,1|1,0,2]=4 431 B7R0.2 CC[C@H](C)CC(=O)N CNP0105662.1 [0,0,0,0,0,1|1,0,2]=4 432 B7R0.2 CC[C@H](C)CC(=O)O CNP0258429.1 [0,0,0,0,0,1|0,0,2]=3 433 B7R0.2 CC[C@H](C)OC(=O)C CNP0076550.1 [0,0,0,0,0,1|1,0,2]=4 434 B7R0.2 CC[C@H](O)CC(=O)O CNP0308552.1 [0,0,0,0,0,1|1,0,2]=4 435 B7R0.2 CNC(=O)NC(=O)C CNP0066396.0 [0,0,0,0,0,1|3,0,0]=4 436 B7R0.2 CNC(=O)NC(=O)O CNP0113940.0 [0,0,0,0,0,1|2,0,0]=3 437 B7R0.2 COC(=CC(=O)C)C CNP0350005.0 [0,0,0,0,0,1|2,0,0]=3 438 B7R0.2 COC(=O)CC(=O)C CNP0086286.0 [0,0,0,0,0,1|3,0,0]=4 439 B7R0.2 COC(=O)CC(=O)O CNP0461449.0 [0,0,0,0,0,1|2,0,0]=3 440 B7R0.2 COC(=O)NC(=O)N CNP0291245.0 [0,0,0,0,0,1|3,0,0]=4 441 B7R0.2 N[C@H](C=O)CC(=O)O CNP0335008.1 [0,0,0,0,0,1|2,0,1]=4 442 B7R0.2 O=C(O)CC(=O)CBr CNP0292204.0 [0,0,0,0,0,1|2,0,1]=4 443 B7R0.2 O=CN(O)CC(=O)O CNP0278033.0 [0,0,0,0,0,1|3,0,0]=4 444 B4R0.1 C#CC(=C)C CNP0599820.0 [2,0,0,0,0,0|0,0,2]=4 445 B4R0.1 C#CC(=O)O CNP0579203.0 [2,0,0,0,0,0|0,0,2]=4 446 B4R0.1 C=C(Br)CO CNP0506207.0 [2,0,0,0,0,0|1,0,1]=4 447 B4R0.1 C=C(C)C#N CNP0560504.0 [2,0,0,0,0,0|1,0,1]=4 448 B4R0.1 C=C(C)C=O CNP0479149.0 [2,0,0,0,0,0|0,0,0]=2 449 B4R0.1 C=C(C)CC CNP0605035.0 [2,0,0,0,0,0|0,0,1]=3 450 B4R0.1 C=C(C)CO CNP0505353.0 [2,0,0,0,0,0|0,0,1]=3 451 B4R0.1 C=C(O)C=O CNP0542377.0 [2,0,0,0,0,0|1,0,0]=3 452 B4R0.1 C=CC(=C)C CNP0489519.0 [2,0,0,0,0,0|0,0,1]=3 453 B4R0.1 C=CC(=N)N CNP0498731.0 [2,0,0,0,0,0|2,0,0]=4 454 B4R0.1 C=CC(=O)C CNP0571315.0 [2,0,0,0,0,0|0,0,1]=3 455 B4R0.1 C=CC(=O)Cl CNP0569586.0 [2,0,0,0,0,0|1,0,0]=3 456 B4R0.1 C=CC(=O)N CNP0574606.0 [2,0,0,0,0,0|1,0,0]=3 457 B4R0.1 C=CC(=O)O CNP0590547.0 [2,0,0,0,0,0|0,0,0]=2 458 B4R0.1 C=CC(=O)[O-] CNP0528918.0 [2,0,0,0,0,0|0,0,1]=3 459 B4R0.1 C=CC(C)C CNP0589769.0 [2,0,0,0,0,0|1,0,1]=4 460 B4R0.1 C=C[C@@H](C)O CNP0512445.2 [2,0,0,0,0,0|0,0,2]=4 461 B4R0.1 C=C[C@H](C)O CNP0512445.1 [2,0,0,0,0,0|0,0,2]=4 462 B4R0.1 CC(=NO)C CNP0591673.0 [2,0,0,0,0,0|1,0,0]=3 463 B4R0.1 CC(=O)C#N CNP0551952.0 [2,0,0,0,0,0|1,0,1]=4 464 B4R0.1 CC(=O)C=O CNP0574322.0 [2,0,0,0,0,0|1,0,0]=3 465 B4R0.1 CC(=O)CBr CNP0602861.0 [2,0,0,0,0,0|1,0,1]=4 466 B4R0.1 CC(=O)CI CNP0515381.0 [2,0,0,0,0,0|1,0,1]=4 467 B4R0.1 CC(=O)CN CNP0602829.0 [2,0,0,0,0,0|1,0,1]=4 468 B4R0.1 CC(=O)CO CNP0487266.0 [2,0,0,0,0,0|1,0,1]=4 469 B4R0.1 CC(=O)CS CNP0514893.0 [2,0,0,0,0,0|1,0,1]=4 470 B4R0.1 CC(=O)N=N CNP0591627.0 [2,0,0,0,0,0|2,0,0]=4 471 B4R0.1 CC(=O)NN CNP0503904.0 [2,0,0,0,0,0|2,0,0]=4 472 B4R0.1 CC(=O)NO CNP0518042.0 [2,0,0,0,0,0|2,0,0]=4 473 B4R0.1 CC(=O)OO CNP0491052.0 [2,0,0,0,0,0|2,0,0]=4 474 B4R0.1 CC(=O)O[Hg+] CNP0504265.0 [2,0,0,0,0,0|2,0,0]=4 475 B4R0.1 CC(C)C=O CNP0511471.0 [2,0,0,0,0,0|0,0,1]=3 476 B4R0.1 CC(C)C=[17O] CNP0484940.0 [2,0,0,0,0,0|0,0,1]=3 477 B4R0.1 CC(C)CO CNP0493868.0 [2,0,0,0,0,0|0,0,2]=4 478 B4R0.1 CC(N)C=O CNP0531209.0 [2,0,0,0,0,0|1,0,1]=4 479 B4R0.1 CC=C(C)C CNP0502707.0 [2,0,0,0,0,0|0,0,1]=3 480 B4R0.1 CCC(=O)Br CNP0583620.0 [2,0,0,0,0,0|1,0,1]=4 481 B4R0.1 CCC(=O)C CNP0486447.0 [2,0,0,0,0,0|0,0,1]=3 482 B4R0.1 CCC(=O)Cl CNP0502198.0 [2,0,0,0,0,0|1,0,1]=4 483 B4R0.1 CCC(=O)I CNP0549008.0 [2,0,0,0,0,0|1,0,1]=4 484 B4R0.1 CCC(=O)N CNP0512752.0 [2,0,0,0,0,0|1,0,1]=4 485 B4R0.1 CCC(=O)O CNP0572679.0 [2,0,0,0,0,0|0,0,1]=3 486 B4R0.1 CCC(=O)[O-] CNP0505645.0 [2,0,0,0,0,0|0,0,2]=4 487 B4R0.1 CCC(=O)[O-] CNP0584211.0 [2,0,0,0,0,0|0,0,2]=4 488 B4R0.1 CCC(=O)[O-] CNP0604604.0 [2,0,0,0,0,0|0,0,2]=4 489 B4R0.1 CC[C@@H](C)O CNP0577352.1 [2,0,0,0,0,0|0,0,2]=4 490 B4R0.1 CC[C@H](C)O CNP0577352.2 [2,0,0,0,0,0|0,0,2]=4 491 B4R0.1 CN(C)C=O CNP0566193.0 [2,0,0,0,0,0|1,0,0]=3 492 B4R0.1 CN(C)C=S CNP0516551.0 [2,0,0,0,0,0|1,1,0]=4 493 B4R0.1 CN(C)N=O CNP0503536.0 [2,0,0,0,0,0|2,0,0]=4 494 B4R0.1 CN(N)C=O CNP0593819.0 [2,0,0,0,0,0|2,0,0]=4 495 B4R0.1 CN(O)C=S CNP0483835.0 [2,0,0,0,0,0|2,0,0]=4 496 B4R0.1 CNC(=O)C CNP0491397.0 [2,0,0,0,0,0|1,0,0]=3 497 B4R0.1 CNC(=O)N CNP0576116.0 [2,0,0,0,0,0|2,0,0]=4 498 B4R0.1 CNC(=O)O CNP0594440.0 [2,0,0,0,0,0|1,0,0]=3 499 B4R0.1 COC(=O)C CNP0578880.0 [2,0,0,0,0,0|1,0,0]=3 500 B4R0.1 COC(=O)N CNP0575874.0 [2,0,0,0,0,0|2,0,0]=4 501 B4R0.1 CSC(=O)C CNP0491622.0 [2,0,0,0,0,0|1,0,0]=3 502 B4R0.1 C[C@@H](O)C=O CNP0482941.1 [2,0,0,0,0,0|1,0,1]=4 503 B4R0.1 C[C@H](O)C=O CNP0482941.2 [2,0,0,0,0,0|1,0,1]=4 504 B4R0.1 C[C](C)C=O CNP0568847.0 [2,0,0,0,0,0|0,0,1]=3 505 B4R0.1 N=CC(=O)O CNP0521453.0 [2,0,0,0,0,0|1,0,0]=3 506 B4R0.1 NCC(=O)O CNP0563879.0 [2,0,0,0,0,0|1,0,1]=4 507 B4R0.1 O=C(O)CBr CNP0605480.0 [2,0,0,0,0,0|1,0,1]=4 508 B4R0.1 O=C(O)CCl CNP0514898.0 [2,0,0,0,0,0|1,0,1]=4 509 B4R0.1 O=C(O)CI CNP0542117.0 [2,0,0,0,0,0|1,0,1]=4 510 B4R0.1 O=C(O)CO CNP0564020.0 [2,0,0,0,0,0|1,0,1]=4 511 B4R0.1 O=C(O)CS CNP0502399.0 [2,0,0,0,0,0|1,0,1]=4 512 B4R0.1 O=CC(=O)O CNP0571230.0 [2,0,0,0,0,0|1,0,0]=3 513 B4R0.2 C#CC=CC CNP0541501.0 [2,0,0,0,0,0|1,0,1]=4 514 B4R0.2 C=CC=CC CNP0501543.0 [2,0,0,0,0,0|1,0,0]=3 515 B4R0.2 C=CC=NO CNP0532391.0 [2,0,0,0,0,0|1,0,1]=4 516 B4R0.2 CC=CC#N CNP0588304.0 [2,0,0,0,0,0|1,0,1]=4 517 B4R0.2 CC=CC=O CNP0576575.0 [2,0,0,0,0,0|0,0,0]=2 518 B4R0.2 CC=CCC CNP0524560.0 [2,0,0,0,0,0|1,0,1]=4 519 B4R0.2 CC=CCO CNP0498228.0 [2,0,0,0,0,0|0,0,1]=3 520 B4R0.2 CC=CCS CNP0606069.0 [2,0,0,0,0,0|0,1,1]=4 521 B4R0.2 CC=CSC CNP0587371.0 [2,0,0,0,0,0|2,0,0]=4 522 B4R0.2 CC=CSO CNP0521494.0 [2,0,0,0,0,0|1,0,0]=3 523 B4R0.2 CCC=NO CNP0599998.0 [2,0,0,0,0,0|1,0,1]=4 524 B4R0.2 CCC=S=O CNP0514855.0 [2,0,0,0,0,0|1,0,1]=4 525 B4R0.2 CCCC=O CNP0518034.0 [2,0,0,0,0,0|0,0,2]=4 526 B4R0.2 CCOC=O CNP0525155.0 [2,0,0,0,0,0|1,0,1]=4 527 B4R0.2 CN=CC=S CNP0547393.0 [2,0,0,0,0,0|1,1,0]=4 528 B4R0.2 CSCC=O CNP0555203.0 [2,0,0,0,0,0|1,0,1]=4 529 B4R0.2 O=CC=CCl CNP0542132.0 [2,0,0,0,0,0|1,0,0]=3 530 B4R0.2 O=CCC=O CNP0495847.0 [2,0,0,0,0,0|1,0,1]=4 531 B4R0.2 OCC=CCl CNP0578872.0 [2,0,0,0,0,0|1,0,1]=4 532 B6R0.1 C=CC=C(C)CO CNP0191364.0 [1,1,0,0,0,0|1,0,1]=4 533 B6R0.1 CC(=CC=O)CO CNP0083852.0 [1,1,0,0,0,0|2,0,0]=4 534 B6R0.1 CC=CC(=CC)C CNP0535908.0 [1,1,0,0,0,0|2,0,0]=4 535 B6R0.1 CC=CC(=O)CC CNP0127812.0 [1,1,0,0,0,0|1,0,0]=3 536 B6R0.1 CC=CC(=O)OC CNP0003452.0 [1,1,0,0,0,0|0,0,0]=2 537 B6R0.1 CC=CS(=S)OC CNP0560483.0 [1,1,0,0,0,0|1,1,0]=4 538 B6R0.1 CCC=C(C)C=O CNP0245615.0 [1,1,0,0,0,0|1,0,1]=4 539 B6R0.1 CCC=C(C)CO CNP0511576.0 [1,1,0,0,0,0|1,0,1]=4 540 B6R0.1 CCCC(=O)CO CNP0084314.0 [1,1,0,0,0,0|0,0,2]=4 541 B6R0.1 CCCC(=O)OC CNP0159910.0 [1,1,0,0,0,0|0,0,2]=4 542 B6R0.1 CCNC(=O)OC CNP0585352.0 [1,1,0,0,0,0|1,0,1]=4 543 B6R0.1 CNCC(=O)OC CNP0311286.0 [1,1,0,0,0,0|1,0,1]=4 544 B6R0.1 COC(=O)C=CBr CNP0321764.0 [1,1,0,0,0,0|1,0,0]=3 545 B6R0.1 COC(=O)C=CI CNP0190700.0 [1,1,0,0,0,0|1,0,0]=3 546 B6R0.1 COC(=O)C=NO CNP0235637.0 [1,1,0,0,0,0|2,0,0]=4 547 B6R0.1 COC(=O)CC=O CNP0187576.0 [1,1,0,0,0,0|1,0,1]=4 548 B6R0.1 COC(=O)CSC CNP0189712.0 [1,1,0,0,0,0|1,0,1]=4 549 B6R0.1 COCC(=O)OC CNP0202591.0 [1,1,0,0,0,0|1,0,1]=4 550 B6R0.2 C=C(C)CC(=O)C CNP0331918.0 [1,1,0,0,0,0|1,0,1]=4 551 B6R0.2 C=C(N)CC(=O)O CNP0312147.0 [1,1,0,0,0,0|0,0,2]=4 552 B6R0.2 C=C(O)CC(=O)O CNP0082070.0 [1,1,0,0,0,0|0,0,2]=4 553 B6R0.2 CC(=CC(=O)Cl)C CNP0301599.0 [1,1,0,0,0,0|1,0,0]=3 554 B6R0.2 CC(=CC(=O)N)C CNP0186116.0 [1,1,0,0,0,0|1,0,0]=3 555 B6R0.2 CC(=CC(=O)O)C CNP0191929.0 [1,1,0,0,0,0|0,0,0]=2 556 B6R0.2 CC(=CC(=O)O)O CNP0487751.0 [1,1,0,0,0,0|0,0,0]=2 557 B6R0.2 CC(=C[13C](=O)C)C CNP0541964.0 [1,1,0,0,0,0|1,0,0]=3 558 B6R0.2 CC(=N)CC(=O)C CNP0178786.0 [1,1,0,0,0,0|1,0,1]=4 559 B6R0.2 CC(=O)C=C(C)C CNP0258331.0 [1,1,0,0,0,0|1,0,0]=3 560 B6R0.2 CC(=O)C=C(C)O CNP0344390.0 [1,1,0,0,0,0|1,0,0]=3 561 B6R0.2 CC(=O)CC(=O)C CNP0267628.0 [1,1,0,0,0,0|1,0,1]=4 562 B6R0.2 CC(=O)CC(=O)N CNP0237689.0 [1,1,0,0,0,0|1,0,1]=4 563 B6R0.2 CC(=O)CC(=O)O CNP0286292.0 [1,1,0,0,0,0|0,0,1]=3 564 B6R0.2 CC(=O)NC(=O)C CNP0582746.0 [1,1,0,0,0,0|2,0,0]=4 565 B6R0.2 CC(=O)NC(=O)N CNP0114939.0 [1,1,0,0,0,0|2,0,0]=4 566 B6R0.2 CC(=O)OC(=O)C CNP0296904.0 [1,1,0,0,0,0|2,0,0]=4 567 B6R0.2 CC(=O)SC(=O)C CNP0165468.0 [1,1,0,0,0,0|2,0,0]=4 568 B6R0.2 CN(C)CC(=O)O CNP0175140.0 [1,1,0,0,0,0|1,0,1]=4 569 B6R0.2 C[C@@H](N)CC(=O)O CNP0287180.2 [1,1,0,0,0,0|0,0,2]=4 570 B6R0.2 C[C@@H](O)CC(=O)O CNP0161860.1 [1,1,0,0,0,0|0,0,2]=4 571 B6R0.2 C[C@H](N)CC(=O)O CNP0287180.1 [1,1,0,0,0,0|0,0,2]=4 572 B6R0.2 C[C@H](O)CC(=O)O CNP0161860.2 [1,1,0,0,0,0|0,0,2]=4 573 B6R0.2 C[C@H]([13CH3])CC(=O)O CNP0175489.1 [1,1,0,0,0,0|0,0,2]=4 574 B6R0.2 C[C](C)CC(=O)O CNP0606523.0 [1,1,0,0,0,0|0,0,2]=4 575 B6R0.2 C[S+](C)CC(=O)O CNP0149325.0 [1,1,0,0,0,0|1,0,1]=4 576 B6R0.2 NC(=O)C=C(Cl)Cl CNP0268623.0 [1,1,0,0,0,0|2,0,0]=4 577 B6R0.2 NC(=O)CC(=O)O CNP0514577.0 [1,1,0,0,0,0|1,0,1]=4 578 B6R0.2 NC(=O)NC(=O)O CNP0125227.0 [1,1,0,0,0,0|2,0,0]=4 579 B6R0.2 O=C(Cl)C=C(Br)Br CNP0351146.0 [1,1,0,0,0,0|2,0,0]=4 580 B6R0.2 O=C(Cl)C=C(Cl)Cl CNP0284346.0 [1,1,0,0,0,0|2,0,0]=4 581 B6R0.2 O=C(O)C=C(Br)Br CNP0377910.0 [1,1,0,0,0,0|1,0,0]=3 582 B6R0.2 O=C(O)C=C(Cl)Cl CNP0345285.0 [1,1,0,0,0,0|1,0,0]=3 583 B6R0.2 O=C(O)C=C(I)I CNP0227378.0 [1,1,0,0,0,0|1,0,0]=3 584 B6R0.2 O=C(O)CC(=O)O CNP0327247.0 [1,1,0,0,0,0|1,0,1]=4 585 B6R0.4 C=CC=CC(=O)O CNP0076475.0 [1,1,0,0,0,0|0,0,1]=3 586 B6R0.4 C=CCCC(=O)O CNP0003359.0 [1,1,0,0,0,0|0,0,2]=4 587 B6R0.4 CC=CC=C(C)C CNP0318303.0 [1,1,0,0,0,0|2,0,0]=4 588 B6R0.4 CC=CCC(=O)O CNP0610144.0 [1,1,0,0,0,0|0,0,0]=2 589 B6R0.4 CC=CCC(C)O CNP0217280.0 [1,1,0,0,0,0|1,0,1]=4 590 B6R0.4 CC=CCS(=S)O CNP0514093.0 [1,1,0,0,0,0|1,1,0]=4 591 B6R0.4 CCC=CC(=O)C CNP0129352.0 [1,1,0,0,0,0|1,0,0]=3 592 B6R0.4 CCC=CC(=O)O CNP0185292.0 [1,1,0,0,0,0|0,0,0]=2 593 B6R0.4 CCCC=C(C)O CNP0268446.0 [1,1,0,0,0,0|1,0,1]=4 594 B6R0.4 CCCCC(=O)O CNP0144818.0 [1,1,0,0,0,0|0,0,2]=4 595 B6R0.4 CCCC[11C](=O)O CNP0540258.0 [1,1,0,0,0,0|0,0,2]=4 596 B6R0.4 CCNCC(=O)O CNP0076362.0 [1,1,0,0,0,0|0,0,2]=4 597 B6R0.4 CCOCC(=O)O CNP0229583.0 [1,1,0,0,0,0|0,0,2]=4 598 B6R0.4 CNCCC(=O)O CNP0502963.0 [1,1,0,0,0,0|0,0,2]=4 599 B6R0.4 CSC=CC(=O)N CNP0140289.0 [1,1,0,0,0,0|1,0,0]=3 600 B6R0.4 CSC=CC(=O)O CNP0140653.0 [1,1,0,0,0,0|0,0,0]=2 601 B6R0.4 CSCCC(=O)O CNP0143779.0 [1,1,0,0,0,0|0,0,2]=4 602 B6R0.4 N=CNCC(=O)O CNP0218776.0 [1,1,0,0,0,0|1,0,1]=4 603 B6R0.4 NCC=CC(=O)O CNP0250683.0 [1,1,0,0,0,0|0,0,0]=2 604 B6R0.4 NCCCC(=O)O CNP0116256.0 [1,1,0,0,0,0|0,0,2]=4 605 B6R0.4 O=C(O)C=CCO CNP0097506.0 [1,1,0,0,0,0|0,0,0]=2 606 B6R0.4 O=C(O)CCCO CNP0236331.0 [1,1,0,0,0,0|0,0,2]=4 607 B6R0.4 O=CCCC(=O)O CNP0318740.0 [1,1,0,0,0,0|1,0,1]=4 608 B6R0.4 O=CNCC(=O)O CNP0082901.0 [1,1,0,0,0,0|1,0,1]=4 609 B6R0.8 CSC(C)(C)C=O CNP0126812.0 [1,1,0,0,0,0|1,0,1]=4 610 B6R0.9 CC=C(C=O)CC CNP0086295.0 [1,1,0,0,0,0|0,0,0]=2 611 B6R0.9 CC=C(CC)CC CNP0246886.0 [1,1,0,0,0,0|1,0,1]=4 612 B6R0.9 CC=C(CC)CO CNP0059417.0 [1,1,0,0,0,0|0,0,1]=3 613 B6R0.9 CCC(C=O)CC CNP0353251.0 [1,1,0,0,0,0|0,0,2]=4 614 B6R0.7 CC(=O)C(C)(C)Br CNP0058151.0 [1,1,0,0,0,0|1,0,1]=4 615 B6R0.7 CC(=O)C(C)(C)O CNP0323322.0 [1,1,0,0,0,0|1,0,1]=4 616 B6R0.7 CC(C)(C)C(=O)Cl CNP0610070.0 [1,1,0,0,0,0|1,0,1]=4 617 B6R0.7 CC(C)(C)C(=O)O CNP0343251.0 [1,1,0,0,0,0|0,0,1]=3 618 B6R0.7 CC(C)(N)C(=O)O CNP0299823.0 [1,1,0,0,0,0|0,0,1]=3 619 B6R0.7 CC(C)(O)C(=O)O CNP0230065.0 [1,1,0,0,0,0|0,0,1]=3 620 B8R0.2 C/C=C(/C)\[C@H](N)C(=O)O CNP0249655.2 [0,1,0,0,0,1|0,0,0]=2 621 B8R0.2 C/C=C(\C)/[C@H](N)C(=O)O CNP0249655.1 [0,1,0,0,0,1|0,0,0]=2 622 B8R0.2 C=C(CC)[C@H](N)C(=O)O CNP0145446.1 [0,1,0,0,0,1|0,0,2]=4 623 B8R0.2 C=CC(=C(O)C(=O)O)Cl CNP0377725.0 [0,1,0,0,0,1|1,0,1]=4 624 B8R0.2 C=CC(=C)[C@H](N)C(=O)O CNP0273859.1 [0,1,0,0,0,1|0,0,2]=4 625 B8R0.2 CC=C(C)C(O)C(=O)O CNP0231928.0 [0,1,0,0,0,1|0,0,0]=2 626 B8R0.2 CCC(=C(C)C(=O)C)C CNP0598294.0 [0,1,0,0,0,1|1,0,1]=4 627 B8R0.2 CCC(=O)C(C)C(=O)O CNP0082310.0 [0,1,0,0,0,1|1,0,1]=4 628 B8R0.2 CCC(C)[C@@H](N)C(=O)O CNP0337843.4 [0,1,0,0,0,1|0,0,2]=4 629 B8R0.2 CC[C@@H](C)C(=O)C(=O)O CNP0163555.2 [0,1,0,0,0,1|0,0,2]=4 630 B8R0.2 CC[C@@H](C)[C@@H](N)C(=O)O CNP0337843.2 [0,1,0,0,0,1|0,0,2]=4 631 B8R0.2 CC[C@@H](C)[C@@H](O)C(=O)O CNP0290048.1 [0,1,0,0,0,1|0,0,2]=4 632 B8R0.2 CC[C@@H](C)[C@H](N)C(=O)O CNP0337843.3 [0,1,0,0,0,1|0,0,2]=4 633 B8R0.2 CC[C@@H](C)[C@H](O)C(=O)O CNP0290048.3 [0,1,0,0,0,1|0,0,2]=4 634 B8R0.2 CC[C@H](C)C(=O)C(=O)O CNP0163555.1 [0,1,0,0,0,1|0,0,2]=4 635 B8R0.2 CC[C@H](C)[C@@H](N)C(=O)O CNP0337843.5 [0,1,0,0,0,1|0,0,2]=4 636 B8R0.2 CC[C@H](C)[C@@H](O)C(=O)O CNP0290048.4 [0,1,0,0,0,1|0,0,2]=4 637 B8R0.2 CC[C@H](C)[C@H](N)C(=O)O CNP0337843.1 [0,1,0,0,0,1|0,0,2]=4 638 B8R0.2 CC[C@H](C)[C@H](O)C(=O)O CNP0290048.2 [0,1,0,0,0,1|0,0,2]=4 639 B8R0.2 CNC(=O)N(O)C(=O)O CNP0326331.0 [0,1,0,0,0,1|2,0,0]=4 640 B8R0.2 CO[C@H](C)[C@H](N)C(=O)O CNP0138461.1 [0,1,0,0,0,1|1,0,1]=4 641 B8R0.5 C/C=C/[C@@H](O)CC(=O)O CNP0087305.2 [0,1,0,0,0,1|1,0,1]=4 642 B8R0.5 C/C=C/[C@H](O)CC(=O)O CNP0087305.1 [0,1,0,0,0,1|1,0,1]=4 643 B8R0.5 CC(=CC(=O)O)CCO CNP0227201.0 [0,1,0,0,0,1|0,0,1]=3 644 B8R0.5 CCCC(=CC(=O)C)C CNP0608479.0 [0,1,0,0,0,1|1,0,1]=4 645 B8R0.5 CCCC(=CC(=O)O)C CNP0329572.0 [0,1,0,0,0,1|0,0,1]=3 646 B8R0.5 CCCC(=O)CC(=O)O CNP0037462.0 [0,1,0,0,0,1|1,0,1]=4 647 B8R0.5 CCC[C@H](C)CC(=O)O CNP0320012.1 [0,1,0,0,0,1|0,0,2]=4 648 B8R0.5 CCOC(=O)CC(=O)O CNP0380624.0 [0,1,0,0,0,1|1,0,1]=4 649 B8R0.16 CCC(CC)CC(=O)O CNP0188484.0 [0,1,0,0,0,1|0,0,2]=4 650 B8R0.16 CCN(CC)CC(=O)O CNP0048744.0 [0,1,0,0,0,1|1,0,1]=4 651 B8R0.16 O=C(O)C=C(CO)CO CNP0103761.0 [0,1,0,0,0,1|1,0,1]=4 652 B8R0.19 CC=C(C)C=C(C)C=O CNP0259001.0 [0,1,0,0,0,1|1,0,0]=3 653 B8R0.19 CC=C(C)C=C(C)CO CNP0307713.0 [0,1,0,0,0,1|1,0,0]=3 654 B8R0.19 CC=C(C)CC(=O)OC CNP0103912.0 [0,1,0,0,0,1|0,0,0]=2 655 B8R0.19 CCC(=CC(=O)OC)C CNP0599334.0 [0,1,0,0,0,1|0,0,1]=3 656 B8R0.19 CCC(=O)C=C(C)CC CNP0594723.0 [0,1,0,0,0,1|1,0,1]=4 657 B8R0.19 CC[C@H](C)CC(=O)OC CNP0302802.1 [0,1,0,0,0,1|0,0,2]=4 658 B8R0.19 CNC(=CC(=O)OC)C CNP0390582.0 [0,1,0,0,0,1|1,0,0]=3 659 B8R0.19 CNC(=O)NC(=O)OC CNP0277536.0 [0,1,0,0,0,1|2,0,0]=4 660 B8R0.19 COC(=O)CC(=O)OC CNP0320608.0 [0,1,0,0,0,1|2,0,0]=4 661 B8R0.19 COC(=O)CC(C)SC CNP0007855.0 [0,1,0,0,0,1|1,0,1]=4 662 B8R0.19 COC(=O)OC(=O)OC CNP0163247.0 [0,1,0,0,0,1|2,0,0]=4 663 B8R0.23 C=C(CC(=O)O)C(=O)O CNP0269442.0 [0,1,0,0,0,1|1,0,1]=4 664 B8R0.23 C=C(CC(=O)O)C(C)C CNP0058320.0 [0,1,0,0,0,1|0,0,2]=4 665 B8R0.23 CC(=CC(=O)Cl)C(=O)Cl CNP0242939.0 [0,1,0,0,0,1|2,0,0]=4 666 B8R0.23 CC(=CC(=O)Cl)C(C)C CNP0257848.0 [0,1,0,0,0,1|1,0,1]=4 667 B8R0.23 CC(=CC(=O)N)C(=O)N CNP0275048.0 [0,1,0,0,0,1|2,0,0]=4 668 B8R0.23 CC(=CC(=O)N)C(=O)O CNP0166908.0 [0,1,0,0,0,1|2,0,0]=4 669 B8R0.23 CC(=CC(=O)O)C(=O)O CNP0236669.0 [0,1,0,0,0,1|1,0,0]=3 670 B8R0.23 CC(=CC(=O)O)C(C)C CNP0219059.0 [0,1,0,0,0,1|0,0,1]=3 671 B8R0.23 CC(=O)C=C(C)C(C)C CNP0033202.0 [0,1,0,0,0,1|1,0,1]=4 672 B8R0.23 CC(=O)O[C@H](C)C(=O)C CNP0270762.1 [0,1,0,0,0,1|1,0,1]=4 673 B8R0.23 CC(=O)[C@@H](C)CC(=O)O CNP0299581.1 [0,1,0,0,0,1|0,0,1]=3 674 B8R0.23 CN(CC(=O)O)C(=N)N CNP0156562.0 [0,1,0,0,0,1|2,0,0]=4 675 B8R0.23 CN(CC(=O)O)C(=O)N CNP0548599.0 [0,1,0,0,0,1|2,0,0]=4 676 B8R0.23 CN(CC(=O)O)C(=S)S CNP0495623.0 [0,1,0,0,0,1|2,0,0]=4 677 B8R0.23 CN(O)C(=O)NC(=O)O CNP0303620.0 [0,1,0,0,0,1|2,0,0]=4 678 B8R0.23 C[C@@H](CC(=O)O)C(=O)O CNP0294195.2 [0,1,0,0,0,1|1,0,1]=4 679 B8R0.23 C[C@H](CC(=O)O)C(=O)O CNP0294195.1 [0,1,0,0,0,1|1,0,1]=4 680 B8R0.23 N=C(CC(=O)O)C(=O)O CNP0417649.0 [0,1,0,0,0,1|2,0,0]=4 681 B8R0.23 O=C(O)C=C(O)C(=O)O CNP0279115.0 [0,1,0,0,0,1|2,0,0]=4 682 B8R0.23 O=C(O)CC(=O)C(=O)O CNP0390338.0 [0,1,0,0,0,1|2,0,0]=4 683 B8R0.34 CC[C@@](C)(O)CC(=O)O CNP0379279.1 [0,1,0,0,0,1|0,0,2]=4 684 B8R0.3 C=C(CC)C(=O)COC CNP0612231.0 [0,2,0,0,0,0|0,0,2]=4 685 B8R0.3 CC=C(C)C(=O)OCC CNP0316393.0 [0,2,0,0,0,0|0,0,0]=2 686 B8R0.3 CCC=C(C)C(=O)CC CNP0523959.0 [0,2,0,0,0,0|1,0,0]=3 687 B8R0.3 CCC[C@H](C)C(=O)OC CNP0002914.1 [0,2,0,0,0,0|0,0,2]=4 688 B8R0.3 CCOC(=O)C(=CBr)Br CNP0179684.0 [0,2,0,0,0,0|2,0,0]=4 689 B8R0.3 CCOC(=O)C(=CI)I CNP0386420.0 [0,2,0,0,0,0|2,0,0]=4 690 B8R0.3 CCOC(=O)C(=NO)C CNP0380826.0 [0,2,0,0,0,0|2,0,0]=4 691 B8R0.3 CCOC(=O)C(=O)CC CNP0506120.0 [0,2,0,0,0,0|1,0,1]=4 692 B8R0.3 CCOC(=O)[C@@H](C)C=O CNP0028245.1 [0,2,0,0,0,0|1,0,1]=4 693 B8R0.3 CCOC(=O)[C@@H](C)CC CNP0105613.2 [0,2,0,0,0,0|0,0,2]=4 694 B8R0.3 CCOC(=O)[C@H](C)CC CNP0105613.1 [0,2,0,0,0,0|0,0,2]=4 695 B8R0.3 CNC[C@@H](C)C(=O)OC CNP0198050.1 [0,2,0,0,0,0|0,0,2]=4 696 B8R0.8 C/C=C/C[C@H](N)C(=O)O CNP0134361.1 [0,2,0,0,0,0|1,0,1]=4 697 B8R0.8 C/C=C\C[C@@H](C)C(=O)C CNP0260955.1 [0,2,0,0,0,0|1,0,1]=4 698 B8R0.8 C/C=C\C[C@H](N)C(=O)O CNP0134361.2 [0,2,0,0,0,0|1,0,1]=4 699 B8R0.8 CC=CC=C(C)C(=O)O CNP0232532.0 [0,2,0,0,0,0|0,0,0]=2 700 B8R0.8 CC=CCC(=O)C(=O)O CNP0039231.0 [0,2,0,0,0,0|1,0,0]=3 701 B8R0.8 CCCC=C(C)C(=O)C CNP0077419.0 [0,2,0,0,0,0|1,0,0]=3 702 B8R0.8 CCCC=C(C)C(=O)O CNP0589734.0 [0,2,0,0,0,0|0,0,0]=2 703 B8R0.8 CCCCC(=O)C(=O)O CNP0301313.0 [0,2,0,0,0,0|1,0,1]=4 704 B8R0.8 CCCC[C@@H](C)C(=O)O CNP0131779.1 [0,2,0,0,0,0|0,0,2]=4 705 B8R0.8 CO/C=C/[C@H](N)C(=O)O CNP0277704.1 [0,2,0,0,0,0|1,0,1]=4 706 B8R0.8 CO/C=C\[C@H](N)C(=O)O CNP0277704.2 [0,2,0,0,0,0|1,0,1]=4 707 B8R0.8 CSCCC(=O)C(=O)O CNP0135111.0 [0,2,0,0,0,0|1,0,1]=4 708 B8R0.8 C[C@@H](CCCN)C(=O)O CNP0300742.1 [0,2,0,0,0,0|0,0,2]=4 709 B8R0.8 C[C@H](NCCO)C(=O)O CNP0270315.1 [0,2,0,0,0,0|0,0,2]=4 710 B8R0.8 NCCCC(=O)C(=O)O CNP0082812.0 [0,2,0,0,0,0|1,0,1]=4 711 B8R0.12 C=CCC(C)(N)C(=O)O CNP0555901.0 [0,2,0,0,0,0|0,0,2]=4 712 B8R0.12 CCCC(C)(C)C(=O)O CNP0611680.0 [0,2,0,0,0,0|0,0,2]=4 713 B8R0.12 CCC[C@@](C)(N)C(=O)O CNP0501927.2 [0,2,0,0,0,0|0,0,2]=4 714 B8R0.12 CCC[C@](C)(N)C(=O)O CNP0501927.1 [0,2,0,0,0,0|0,0,2]=4 715 B8R0.12 CCNC(C)(C)C(=O)O CNP0575381.0 [0,2,0,0,0,0|0,0,2]=4 716 B8R0.12 CCOC(C)(C)C(=O)O CNP0379158.0 [0,2,0,0,0,0|0,0,2]=4 717 B8R0.12 COC[C@@](C)(N)C(=O)O CNP0546199.2 [0,2,0,0,0,0|0,0,2]=4 718 B8R0.12 COC[C@](C)(N)C(=O)O CNP0546199.1 [0,2,0,0,0,0|0,0,2]=4 719 B8R0.15 C=C(C)C(=CC)C#CC CNP0577424.0 [0,2,0,0,0,0|2,0,0]=4 720 B8R0.15 C=C(C)C(=CCC)CC CNP0487408.0 [0,2,0,0,0,0|2,0,0]=4 721 B8R0.15 C=CC(=CC=O)C(=O)O CNP0182283.0 [0,2,0,0,0,0|0,0,2]=4 722 B8R0.15 C=CC[C@@H](NC)C(=O)O CNP0302571.1 [0,2,0,0,0,0|0,0,2]=4 723 B8R0.15 CC=CC(CC)C(=O)O CNP0529295.0 [0,2,0,0,0,0|0,0,1]=3 724 B8R0.15 CCC[C@@H](NC)C(=O)O CNP0223664.1 [0,2,0,0,0,0|0,0,2]=4 725 B8R0.15 CN[C@@H](COC)C(=O)O CNP0173181.1 [0,2,0,0,0,0|0,0,2]=4 726 B8R0.13 CC[C@@](C)(N)C(=O)OC CNP0272787.1 [0,2,0,0,0,0|0,0,2]=4 727 B8R0.13 CC[C@@](C)(O)C(=O)OC CNP0227433.1 [0,2,0,0,0,0|0,0,2]=4 728 B8R0.13 CNC(C)(C)C(=O)OC CNP0573979.0 [0,2,0,0,0,0|1,0,1]=4 729 B8R0.13 COC(=O)C(C)(C)OC CNP0270114.0 [0,2,0,0,0,0|1,0,1]=4 730 B8R0.20 CCC(CC)C(=O)OC CNP0406940.0 [0,2,0,0,0,0|0,0,2]=4 731 B8R0.20 CCC(SC)C(=O)OC CNP0407367.0 [0,2,0,0,0,0|0,0,2]=4 732 B8R0.36 CCC(C)(CC)C(=O)O CNP0454868.0 [0,2,0,0,0,0|0,0,2]=4 733 B8R0.36 CCC(N)(CC)C(=O)O CNP0494515.0 [0,2,0,0,0,0|0,0,2]=4 734 B8R0.36 CCC(O)(CC)C(=O)O CNP0399779.0 [0,2,0,0,0,0|0,0,2]=4 735 B8R0.37 CC(=O)[C@](C)(O)C(=O)O CNP0358968.1 [0,2,0,0,0,0|0,0,1]=3 736 B8R0.37 CC(C)(C(=O)O)C(=O)O CNP0082122.0 [0,2,0,0,0,0|1,0,1]=4 737 B8R0.37 CC(O)(C(=O)O)C(=O)O CNP0101764.0 [0,2,0,0,0,0|1,0,1]=4 738 B8R0.37 CC(O)C(C)(C)C(=O)O CNP0082064.0 [0,2,0,0,0,0|0,0,2]=4 739 B8R0.37 CN(C)C(C)(C)C(=O)O CNP0482978.0 [0,2,0,0,0,0|1,0,1]=4 740 B8R0.37 C[C@@H](O)[C@](C)(O)C(=O)O CNP0265434.2 [0,2,0,0,0,0|0,0,2]=4 741 B8R0.37 C[C@H](O)[C@@](C)(O)C(=O)O CNP0265434.3 [0,2,0,0,0,0|0,0,2]=4 742 B8R0.37 C[C@H](O)[C@](C)(O)C(=O)O CNP0265434.1 [0,2,0,0,0,0|0,0,2]=4 743 B8R0.18 CCC(C(=O)C)C(=O)O CNP0082085.0 [0,2,0,0,0,0|0,0,1]=3 744 B8R0.18 CCC(C(=O)O)C(=O)O CNP0415777.0 [0,2,0,0,0,0|1,0,1]=4 745 B8R0.18 CCC(C(=O)O)C(C)C CNP0474266.0 [0,2,0,0,0,0|0,0,2]=4 746 B8R0.18 CCC(C(=O)O)C(C)O CNP0376604.0 [0,2,0,0,0,0|0,0,2]=4 747 B8R0.18 CN(C)[C@@H](CO)C(=O)O CNP0113680.1 [0,2,0,0,0,0|1,0,1]=4 748 B8R0.18 CN[C@@H](C(=O)O)C(C)C CNP0239286.1 [0,2,0,0,0,0|0,0,2]=4 749 B8R0.18 CN[C@@H](C(=O)O)[C@@H](C)O CNP0147674.2 [0,2,0,0,0,0|0,0,2]=4 750 B8R0.18 CN[C@H](C(=O)O)C(C)C CNP0239286.2 [0,2,0,0,0,0|0,0,2]=4 751 B8R0.18 CN[C@H](C(=O)O)[C@@H](C)O CNP0147674.1 [0,2,0,0,0,0|0,0,2]=4 752 B8R0.18 CN[C@H](C(=O)O)[C@H](C)O CNP0147674.3 [0,2,0,0,0,0|0,0,2]=4 753 B8R0.18 COC(C(=O)O)C(=O)O CNP0332418.0 [0,2,0,0,0,0|1,0,1]=4 754 B6R1.2 C=C1C=CCC1 CNP0269204.0 [1,0,0,1,0,0|2,0,0]=4 755 B6R1.2 CC1=CC=CO1 CNP0204821.0 [1,0,0,1,0,0|1,0,1]=4 756 B6R1.2 O=C1C=CCC1 CNP0122561.0 [1,0,0,1,0,0|1,0,0]=3 757 B6R1.2 O=C1C=CCO1 CNP0253714.0 [1,0,0,1,0,0|0,0,0]=2 758 B6R1.2 O=C1C=CN=N1 CNP0490259.0 [1,0,0,1,0,0|2,0,0]=4 759 B6R1.2 O=C1C=CNO1 CNP0275546.0 [1,0,0,1,0,0|1,0,0]=3 760 B6R1.2 O=C1C=COO1 CNP0482120.0 [1,0,0,1,0,0|1,0,0]=3 761 B6R1.2 O=C1CC=CO1 CNP0494071.0 [1,0,0,1,0,0|0,0,2]=4 762 B6R1.2 O=C1CCCO1 CNP0315299.0 [1,0,0,1,0,0|0,0,2]=4 763 B6R1.2 O=C1NCCO1 CNP0064744.0 [1,0,0,1,0,0|1,0,1]=4 764 B6R1.2 O=C1OC=CO1 CNP0585701.0 [1,0,0,1,0,0|1,0,1]=4 765 B6R1.2 OC1=CC=CO1 CNP0600093.0 [1,0,0,1,0,0|0,0,2]=4 766 B6R1.5 C[C@H]1CC(=O)O1 CNP0232064.1 [1,0,0,1,0,0|0,0,2]=4 767 B6R1.4 C[C@@H]1CCC1=O CNP0253900.1 [1,0,0,1,0,0|0,0,2]=4 768 B8R1.1 CC=C1C=C(CC1)C CNP0076579.0 [0,0,0,1,0,1|2,0,0]=4 769 B8R1.1 CC=C1C=CC(=O)O1 CNP0289286.0 [0,0,0,1,0,1|1,0,1]=4 770 B8R1.1 CCC1=CC(=O)CC1 CNP0307278.0 [0,0,0,1,0,1|1,0,1]=4 771 B8R1.1 CC[C@H]1COC(=O)C1 CNP0207946.1 [0,0,0,1,0,1|0,0,2]=4 772 B8R1.1 COC1=CC(=O)NC1 CNP0315098.0 [0,0,0,1,0,1|2,0,0]=4 773 B8R1.1 COC1=CC(=O)OC1 CNP0407437.0 [0,0,0,1,0,1|1,0,0]=3 774 B8R1.1 CO[C@@H]1COC(=O)C1 CNP0018508.1 [0,0,0,1,0,1|1,0,1]=4 775 B8R1.1 O=C1C=C(CO1)CO CNP0230672.0 [0,0,0,1,0,1|1,0,1]=4 776 B8R1.4 CC1=CC(=O)CCC1 CNP0209762.0 [0,0,0,1,0,1|1,0,1]=4 777 B8R1.4 CC1=CC(=O)CCO1 CNP0226568.0 [0,0,0,1,0,1|2,0,0]=4 778 B8R1.4 CC1=CC(=O)OCC1 CNP0413900.0 [0,0,0,1,0,1|0,0,1]=3 779 B8R1.4 CC1=CC=CC(=C1)O CNP0355586.0 [0,0,0,1,0,1|1,0,1]=4 780 B8R1.4 CC1=CC=NC(=O)N1 CNP0522184.0 [0,0,0,1,0,1|1,0,1]=4 781 B8R1.4 CC1=CCCC(=C1)C CNP0118398.0 [0,0,0,1,0,1|2,0,0]=4 782 B8R1.4 CC1=CCCC(=O)C1 CNP0076330.0 [0,0,0,1,0,1|1,0,0]=3 783 B8R1.4 CC1=CCCC(C1)O CNP0351530.0 [0,0,0,1,0,1|1,0,1]=4 784 B8R1.4 CC1=CN=CC(=C1)O CNP0135310.0 [0,0,0,1,0,1|2,0,0]=4 785 B8R1.4 CC1=CSCC(=O)N1 CNP0035027.0 [0,0,0,1,0,1|2,0,0]=4 786 B8R1.4 CC1CCOC(=O)C1 CNP0282964.0 [0,0,0,1,0,1|0,0,2]=4 787 B8R1.4 O=C1C=C(CCO1)O CNP0610564.0 [0,0,0,1,0,1|1,0,1]=4 788 B8R1.4 O=C1C=COC(=O)O1 CNP0127081.0 [0,0,0,1,0,1|1,0,1]=4 789 B8R1.18 C=C1CC(=O)OC1=O CNP0331229.0 [0,0,0,1,0,1|1,0,1]=4 790 B8R1.18 CC1=C(SC(=N1)N)C CNP0252121.0 [0,0,0,1,0,1|1,1,0]=4 791 B8R1.18 CC1=CC(=C(N1)C)C CNP0194129.0 [0,0,0,1,0,1|2,0,0]=4 792 B8R1.18 CC1=CC(=C(O1)C)C CNP0302629.0 [0,0,0,1,0,1|1,0,0]=3 793 B8R1.18 CC1=CC(=C(O1)C)S CNP0277106.0 [0,0,0,1,0,1|2,0,0]=4 794 B8R1.18 CC1=CC(=O)CC1C CNP0529519.0 [0,0,0,1,0,1|1,0,1]=4 795 B8R1.18 CC1=CC(=O)NC1=O CNP0134947.0 [0,0,0,1,0,1|2,0,0]=4 796 B8R1.18 CC1=CC(=O)OC1=O CNP0323366.0 [0,0,0,1,0,1|1,0,0]=3 797 B8R1.18 CC1=NC(=C(O1)C)C CNP0297316.0 [0,0,0,1,0,1|1,0,0]=3 798 B8R1.18 CC1=NC(=C(S1)C)C CNP0077136.0 [0,0,0,1,0,1|1,1,0]=4 799 B8R1.18 CC1CC(=O)OC1=O CNP0605808.0 [0,0,0,1,0,1|1,0,1]=4 800 B8R1.18 CC1OC(=O)OC1C CNP0571376.0 [0,0,0,1,0,1|0,0,2]=4 801 B8R1.18 C[C@@H]1CC(=O)O[C@H]1C CNP0262923.2 [0,0,0,1,0,1|0,0,2]=4 802 B8R1.18 C[C@@H]1OC(=O)C=C1O CNP0159681.2 [0,0,0,1,0,1|1,0,1]=4 803 B8R1.18 C[C@H]1CC(=O)O[C@@H]1C CNP0262923.1 [0,0,0,1,0,1|0,0,2]=4 804 B8R1.18 C[C@H]1OC(=O)C=C1O CNP0159681.1 [0,0,0,1,0,1|1,0,1]=4 805 B8R1.18 C[C@H]1OC(=O)CC1=O CNP0358326.1 [0,0,0,1,0,1|1,0,1]=4 806 B8R1.20 C=C1C[C@H]1CC(=O)O CNP0279840.1 [0,0,0,1,0,1|0,0,2]=4 807 B8R1.51 CC1=CCS(=O)(=O)C1 CNP0084337.0 [0,0,0,1,0,1|1,0,1]=4 808 B8R1.5 CC1=CC=CC=C1O CNP0242840.0 [0,1,0,1,0,0|1,0,1]=4 809 B8R1.5 CC1=CCCC[C@@H]1O CNP0368729.1 [0,1,0,1,0,0|1,0,1]=4 810 B8R1.5 CC1=NC=CC=C1O CNP0418507.0 [0,1,0,1,0,0|1,0,1]=4 811 B8R1.5 CC1CCCOC1=O CNP0340524.0 [0,1,0,1,0,0|0,0,2]=4 812 B8R1.5 O=C1C=CCC=C1O CNP0560107.0 [0,1,0,1,0,0|2,0,0]=4 813 B8R1.5 O=C1CCCC=C1O CNP0238036.0 [0,1,0,1,0,0|2,0,0]=4 814 B8R1.5 O=C1OC=CC=C1O CNP0103332.0 [0,1,0,1,0,0|1,0,1]=4 815 B8R1.7 CC(=O)C1=NCCC1 CNP0003511.0 [0,1,0,1,0,0|1,0,1]=4 816 B8R1.7 CC(=O)C1=NCCS1 CNP0314026.0 [0,1,0,1,0,0|2,0,0]=4 817 B8R1.7 CC(=O)N1C=CCC1 CNP0356664.0 [0,1,0,1,0,0|2,0,0]=4 818 B8R1.7 O=C(O)C1=CC=CN1 CNP0331002.0 [0,1,0,1,0,0|0,0,2]=4 819 B8R1.7 O=C(O)C1=CC=CO1 CNP0264313.0 [0,1,0,1,0,0|0,0,2]=4 820 B8R1.7 O=C(O)C1=CN=CN1 CNP0581478.0 [0,1,0,1,0,0|1,0,1]=4 821 B8R1.7 O=C(O)C1=CNC=C1 CNP0207521.0 [0,1,0,1,0,0|0,0,2]=4 822 B8R1.7 O=C(O)C1=CNC=N1 CNP0458584.0 [0,1,0,1,0,0|1,0,1]=4 823 B8R1.7 O=C(O)C1=COC=C1 CNP0199311.0 [0,1,0,1,0,0|0,0,2]=4 824 B8R1.7 O=C(O)C1=CON=C1 CNP0604481.0 [0,1,0,1,0,0|1,0,1]=4 825 B8R1.7 O=C(O)C1=CSC=C1 CNP0476270.0 [0,1,0,1,0,0|0,0,2]=4 826 B8R1.7 O=C(O)C1=CSC=N1 CNP0506854.0 [0,1,0,1,0,0|1,0,1]=4 827 B8R1.7 O=C(O)C1=CSN=N1 CNP0448076.0 [0,1,0,1,0,0|2,0,0]=4 828 B8R1.7 O=C(O)C1=NCCC1 CNP0021263.0 [0,1,0,1,0,0|0,0,1]=3 829 B8R1.7 O=C(O)C1=NNC=C1 CNP0261181.0 [0,1,0,1,0,0|1,0,1]=4 830 B8R1.7 O=C(O)C1C=CCN1 CNP0207139.0 [0,1,0,1,0,0|0,0,2]=4 831 B8R1.7 O=C(O)C1CC=CN1 CNP0535760.0 [0,1,0,1,0,0|0,0,2]=4 832 B8R1.7 O=C(O)C1CCCC1 CNP0135626.0 [0,1,0,1,0,0|0,0,2]=4 833 B8R1.7 O=C(O)C1CCCS1 CNP0033094.0 [0,1,0,1,0,0|0,0,2]=4 834 B8R1.7 O=C(O)C1CCSS1 CNP0533688.0 [0,1,0,1,0,0|1,0,1]=4 835 B8R1.7 O=C(O)[C@@H]1C=CCC1 CNP0310576.1 [0,1,0,1,0,0|0,0,1]=3 836 B8R1.7 O=C(O)[C@@H]1CCC=N1 CNP0252420.1 [0,1,0,1,0,0|0,0,1]=3 837 B8R1.7 O=C(O)[C@@H]1CCCN1 CNP0219104.1 [0,1,0,1,0,0|0,0,2]=4 838 B8R1.7 O=C(O)[C@@H]1CCNC1 CNP0278075.2 [0,1,0,1,0,0|0,0,2]=4 839 B8R1.7 O=C(O)[C@@H]1CSCN1 CNP0229322.3 [0,1,0,1,0,0|1,0,1]=4 840 B8R1.7 O=C(O)[C@@H]1NCCS1 CNP0319074.2 [0,1,0,1,0,0|1,0,1]=4 841 B8R1.7 O=C(O)[C@H]1CCCN1 CNP0219104.2 [0,1,0,1,0,0|0,0,2]=4 842 B8R1.7 O=C(O)[C@H]1CCCO1 CNP0573832.1 [0,1,0,1,0,0|0,0,2]=4 843 B8R1.7 O=C(O)[C@H]1CCNC1 CNP0278075.1 [0,1,0,1,0,0|0,0,2]=4 844 B8R1.7 O=C(O)[C@H]1CSCN1 CNP0229322.2 [0,1,0,1,0,0|1,0,1]=4 845 B8R1.7 O=C(O)[C@H]1NCCS1 CNP0319074.1 [0,1,0,1,0,0|1,0,1]=4 846 B8R1.46 COC1=CC(=O)C1=O CNP0248390.0 [0,1,0,1,0,0|2,0,0]=4 847 B8R1.78 NC1(CCC1)C(=O)O CNP0340894.0 [0,1,0,1,0,0|0,0,2]=4 848 B8R1.11 CC1=C(SC=C1)C=O CNP0610341.0 [0,1,0,1,0,0|0,1,1]=4 849 B8R1.11 CC=C1CCN=C1O CNP0604159.0 [0,1,0,1,0,0|1,0,0]=3 850 B8R1.11 CC=C1CCNC1=O CNP0182504.0 [0,1,0,1,0,0|1,0,0]=3 851 B8R1.11 CCC1=CCCC1=O CNP0033334.0 [0,1,0,1,0,0|1,0,0]=3 852 B8R1.11 COC1=CCOC1=O CNP0235181.0 [0,1,0,1,0,0|0,0,0]=2 853 B8R1.11 CSC1=C(OC=C1)C CNP0148789.0 [0,1,0,1,0,0|1,0,1]=4 854 B8R1.11 NCC1=CON=C1O CNP0204327.0 [0,1,0,1,0,0|2,0,0]=4 855 B8R1.11 O=C1OCC=C1CO CNP0023651.0 [0,1,0,1,0,0|0,0,0]=2 856 B8R1.25 O=C1C(=C(C1=O)O)O CNP0489887.0 [0,1,0,1,0,0|2,0,0]=4 857 B8R1.50 C=C1C(=O)OC[C@@H]1O CNP0216725.1 [0,1,0,1,0,0|0,0,2]=4 858 B8R1.50 C=C1C(=O)OC[C@H]1O CNP0216725.2 [0,1,0,1,0,0|0,0,2]=4 859 B8R1.50 CC1=C(C(=N)CC1)O CNP0038308.0 [0,1,0,1,0,0|1,0,1]=4 860 B8R1.50 CC1=C(C(=O)CC1)C CNP0395678.0 [0,1,0,1,0,0|1,0,0]=3 861 B8R1.50 CC1=C(C(=O)CC1)O CNP0301474.0 [0,1,0,1,0,0|0,0,1]=3 862 B8R1.50 CC1=C(C(=O)CO1)O CNP0262412.0 [0,1,0,1,0,0|1,0,0]=3 863 B8R1.50 CC1=C(C(=O)CS1)O CNP0354400.0 [0,1,0,1,0,0|1,0,0]=3 864 B8R1.50 CC1=C(C(=O)CS1)S CNP0358297.0 [0,1,0,1,0,0|1,1,0]=4 865 B8R1.50 CC1=CCC(=C1C)C CNP0578082.0 [0,1,0,1,0,0|2,0,0]=4 866 B8R1.50 CC1=CC[C@@H](C1=O)C CNP0035485.1 [0,1,0,1,0,0|1,0,0]=3 867 B8R1.50 CC1=CC[C@H](C1=O)C CNP0035485.2 [0,1,0,1,0,0|1,0,0]=3 868 B8R1.50 CC1C(=O)CCC1=O CNP0193836.0 [0,1,0,1,0,0|1,0,1]=4 869 B8R1.50 CC1OCC(=O)C1C CNP0086303.0 [0,1,0,1,0,0|0,0,2]=4 870 B8R1.50 CN1C(=O)CNC1=O CNP0217683.0 [0,1,0,1,0,0|2,0,0]=4 871 B8R1.50 CN1CC[C@H](C1=O)O CNP0148419.1 [0,1,0,1,0,0|1,0,1]=4 872 B8R1.50 C[C@@H]1C(=O)OC[C@@H]1O CNP0400627.1 [0,1,0,1,0,0|0,0,2]=4 873 B8R1.50 C[C@@H]1C(=O)OC[C@H]1O CNP0400627.2 [0,1,0,1,0,0|0,0,2]=4 874 B8R1.50 C[C@H]1C(=O)OC[C@@H]1O CNP0400627.3 [0,1,0,1,0,0|0,0,2]=4 875 B8R1.50 C[C@H]1CC=C(C1=O)O CNP0292071.1 [0,1,0,1,0,0|2,0,0]=4 876 B8R1.50 O=C1C=CC(=C1O)O CNP0105932.0 [0,1,0,1,0,0|1,0,1]=4 877 B8R1.50 O=C1CCC(=C1O)O CNP0157820.0 [0,1,0,1,0,0|1,0,1]=4 878 B8R1.50 O=C1OCC(=C1O)O CNP0612147.0 [0,1,0,1,0,0|1,0,0]=3 879 B8R1.63 CNC1(CC1)C(=O)O CNP0252206.0 [0,1,0,1,0,0|0,0,2]=4 880 B8R0.9 C=CC(=O)NCC(=O)O CNP0077507.0 [0,0,0,0,0,2|1,0,1]=4 881 B8R0.9 CC(=NO)CCC(=O)O CNP0136603.0 [0,0,0,0,0,2|2,0,0]=4 882 B8R0.9 CC=C(C)CCC(=O)C CNP0152365.0 [0,0,0,0,0,2|1,0,0]=3 883 B8R0.9 CC=C(C)COC(=O)C CNP0535362.0 [0,0,0,0,0,2|1,0,0]=3 884 B8R0.9 CC=C(N)CCC(=O)O CNP0563504.0 [0,0,0,0,0,2|1,0,0]=3 885 B8R0.9 CCC(=O)CCC(=O)O CNP0609090.0 [0,0,0,0,0,2|1,0,1]=4 886 B8R0.9 CCC(=O)NCC(=O)O CNP0322949.0 [0,0,0,0,0,2|1,0,1]=4 887 B8R0.9 CC[C@@H](C)/C=C/C(=O)O CNP0190272.2 [0,0,0,0,0,2|0,0,2]=4 888 B8R0.9 CC[C@H](C)/C=C/C(=O)O CNP0190272.1 [0,0,0,0,0,2|0,0,2]=4 889 B8R0.9 CC[C@H](C)CCC(=O)O CNP0326615.1 [0,0,0,0,0,2|0,0,2]=4 890 B8R0.9 COC(=O)C=CC(=O)O CNP0273242.0 [0,0,0,0,0,2|2,0,0]=4 891 B8R0.9 COC(=O)CCC(=O)O CNP0184181.0 [0,0,0,0,0,2|2,0,0]=4 892 B8R0.9 O=CC(=O)CCC(=O)O CNP0115864.0 [0,0,0,0,0,2|2,0,0]=4