0 B4R0.1 C#CC(=C)C CNP0599820.0 [0,0,0,0,0,0|2,0,1]=3 1 B4R0.1 C#CC(=O)N CNP0485881.0 [0,0,0,0,0,0|2,0,1]=3 2 B4R0.1 C#CC(=O)O CNP0579203.0 [0,0,0,0,0,0|2,0,1]=3 3 B4R0.1 C#CC(C)C CNP0586699.0 [0,0,0,0,0,0|2,0,2]=4 4 B4R0.1 C=C(Br)CO CNP0506207.0 [0,0,0,0,0,0|1,0,3]=4 5 B4R0.1 C=C(C)C#N CNP0560504.0 [0,0,0,0,0,0|2,0,1]=3 6 B4R0.1 C=C(C)C=O CNP0479149.0 [0,0,0,0,0,0|1,0,0]=1 7 B4R0.1 C=C(C)CC CNP0605035.0 [0,0,0,0,0,0|2,0,1]=3 8 B4R0.1 C=C(C)CO CNP0505353.0 [0,0,0,0,0,0|1,0,2]=3 9 B4R0.1 C=C(Cl)C#N CNP0518154.0 [0,0,0,0,0,0|2,0,2]=4 10 B4R0.1 C=C(N)C#N CNP0550766.0 [0,0,0,0,0,0|2,0,2]=4 11 B4R0.1 C=C(O)C=O CNP0542377.0 [0,0,0,0,0,0|0,0,2]=2 12 B4R0.1 C=CC(=C)C CNP0489519.0 [0,0,0,0,0,0|2,0,0]=2 13 B4R0.1 C=CC(=N)N CNP0498731.0 [0,0,0,0,0,0|3,0,0]=3 14 B4R0.1 C=CC(=O)C CNP0571315.0 [0,0,0,0,0,0|1,0,0]=1 15 B4R0.1 C=CC(=O)Cl CNP0569586.0 [0,0,0,0,0,0|2,0,0]=2 16 B4R0.1 C=CC(=O)N CNP0574606.0 [0,0,0,0,0,0|2,0,0]=2 17 B4R0.1 C=CC(=O)O CNP0590547.0 [0,0,0,0,0,0|2,0,0]=2 18 B4R0.1 C=CC(=O)[O-] CNP0528918.0 [0,0,0,0,0,0|2,0,0]=2 19 B4R0.1 C=CC(C)C CNP0589769.0 [0,0,0,0,0,0|2,0,1]=3 20 B4R0.1 C=C[C@@H](C)O CNP0512445.2 [0,0,0,0,0,0|1,0,2]=3 21 B4R0.1 C=C[C@H](C)O CNP0512445.1 [0,0,0,0,0,0|1,0,2]=3 22 B4R0.1 CC(=NO)C CNP0591673.0 [0,0,0,0,0,0|2,0,1]=3 23 B4R0.1 CC(=O)C#N CNP0551952.0 [0,0,0,0,0,0|1,0,1]=2 24 B4R0.1 CC(=O)C=O CNP0574322.0 [0,0,0,0,0,0|0,0,0]=0 25 B4R0.1 CC(=O)CBr CNP0602861.0 [0,0,0,0,0,0|1,0,1]=2 26 B4R0.1 CC(=O)CI CNP0515381.0 [0,0,0,0,0,0|1,0,1]=2 27 B4R0.1 CC(=O)CN CNP0602829.0 [0,0,0,0,0,0|1,0,1]=2 28 B4R0.1 CC(=O)CO CNP0487266.0 [0,0,0,0,0,0|0,0,2]=2 29 B4R0.1 CC(=O)CS CNP0514893.0 [0,0,0,0,0,0|0,1,1]=2 30 B4R0.1 CC(=O)N=N CNP0591627.0 [0,0,0,0,0,0|2,0,0]=2 31 B4R0.1 CC(=O)NN CNP0503904.0 [0,0,0,0,0,0|2,0,0]=2 32 B4R0.1 CC(=O)NO CNP0518042.0 [0,0,0,0,0,0|1,0,1]=2 33 B4R0.1 CC(=O)OO CNP0491052.0 [0,0,0,0,0,0|1,0,1]=2 34 B4R0.1 CC(=O)O[Hg+] CNP0504265.0 [0,0,0,0,0,0|2,0,0]=2 35 B4R0.1 CC(C)C=O CNP0511471.0 [0,0,0,0,0,0|1,0,1]=2 36 B4R0.1 CC(C)C=[17O] CNP0484940.0 [0,0,0,0,0,0|1,0,1]=2 37 B4R0.1 CC(C)CN CNP0490050.0 [0,0,0,0,0,0|2,0,2]=4 38 B4R0.1 CC(C)CO CNP0493868.0 [0,0,0,0,0,0|1,0,3]=4 39 B4R0.1 CC(C)CS CNP0494383.0 [0,0,0,0,0,0|1,1,2]=4 40 B4R0.1 CC(N)C#N CNP0567528.0 [0,0,0,0,0,0|2,0,2]=4 41 B4R0.1 CC(N)C=O CNP0531209.0 [0,0,0,0,0,0|1,0,1]=2 42 B4R0.1 CC(N)CN CNP0579261.0 [0,0,0,0,0,0|2,0,2]=4 43 B4R0.1 CC(S)CS CNP0488983.0 [0,0,0,0,0,0|0,2,2]=4 44 B4R0.1 CC=C(C)C CNP0502707.0 [0,0,0,0,0,0|2,0,0]=2 45 B4R0.1 CCC(=N)S CNP0544659.0 [0,0,0,0,0,0|2,1,1]=4 46 B4R0.1 CCC(=O)Br CNP0583620.0 [0,0,0,0,0,0|2,0,1]=3 47 B4R0.1 CCC(=O)C CNP0486447.0 [0,0,0,0,0,0|1,0,1]=2 48 B4R0.1 CCC(=O)Cl CNP0502198.0 [0,0,0,0,0,0|2,0,1]=3 49 B4R0.1 CCC(=O)I CNP0549008.0 [0,0,0,0,0,0|2,0,1]=3 50 B4R0.1 CCC(=O)N CNP0512752.0 [0,0,0,0,0,0|2,0,1]=3 51 B4R0.1 CCC(=O)O CNP0572679.0 [0,0,0,0,0,0|2,0,1]=3 52 B4R0.1 CCC(=O)[O-] CNP0505645.0 [0,0,0,0,0,0|2,0,1]=3 53 B4R0.1 CCC(=O)[O-] CNP0584211.0 [0,0,0,0,0,0|2,0,1]=3 54 B4R0.1 CCC(=O)[O-] CNP0604604.0 [0,0,0,0,0,0|2,0,1]=3 55 B4R0.1 CCC(C)C CNP0492867.0 [0,0,0,0,0,0|2,0,2]=4 56 B4R0.1 CCC(C)N CNP0520467.0 [0,0,0,0,0,0|2,0,2]=4 57 B4R0.1 CC[C@@H](C)O CNP0577352.1 [0,0,0,0,0,0|1,0,3]=4 58 B4R0.1 CC[C@@H](C)S CNP0572211.1 [0,0,0,0,0,0|1,1,2]=4 59 B4R0.1 CC[C@H](C)O CNP0577352.2 [0,0,0,0,0,0|1,0,3]=4 60 B4R0.1 CN(C)C=O CNP0566193.0 [0,0,0,0,0,0|2,0,0]=2 61 B4R0.1 CN(C)C=S CNP0516551.0 [0,0,0,0,0,0|2,1,0]=3 62 B4R0.1 CN(C)N=O CNP0503536.0 [0,0,0,0,0,0|3,0,0]=3 63 B4R0.1 CN(N)C=O CNP0593819.0 [0,0,0,0,0,0|2,0,0]=2 64 B4R0.1 CN(O)C=S CNP0483835.0 [0,0,0,0,0,0|1,1,1]=3 65 B4R0.1 CN=C(N)N CNP0588415.0 [0,0,0,0,0,0|4,0,0]=4 66 B4R0.1 CNC(=N)N CNP0590894.0 [0,0,0,0,0,0|4,0,0]=4 67 B4R0.1 CNC(=O)C CNP0491397.0 [0,0,0,0,0,0|2,0,0]=2 68 B4R0.1 CNC(=O)N CNP0576116.0 [0,0,0,0,0,0|3,0,0]=3 69 B4R0.1 CNC(=O)O CNP0594440.0 [0,0,0,0,0,0|3,0,0]=3 70 B4R0.1 CNC(=S)N CNP0572685.0 [0,0,0,0,0,0|3,1,0]=4 71 B4R0.1 CNC(=S)S CNP0524147.0 [0,0,0,0,0,0|3,1,0]=4 72 B4R0.1 CNC(C)C CNP0489071.0 [0,0,0,0,0,0|3,0,1]=4 73 B4R0.1 COC(=O)C CNP0578880.0 [0,0,0,0,0,0|2,0,0]=2 74 B4R0.1 COC(=O)N CNP0575874.0 [0,0,0,0,0,0|3,0,0]=3 75 B4R0.1 CSC(=N)N CNP0572889.0 [0,0,0,0,0,0|4,0,0]=4 76 B4R0.1 CSC(=O)C CNP0491622.0 [0,0,0,0,0,0|2,0,0]=2 77 B4R0.1 CSC(C)C CNP0486491.0 [0,0,0,0,0,0|3,0,1]=4 78 B4R0.1 CSC(C)S CNP0497634.0 [0,0,0,0,0,0|2,1,1]=4 79 B4R0.1 CS[S@@+](C)[O-] CNP0525842.1 [0,0,0,0,0,0|3,0,1]=4 80 B4R0.1 CS[S@@H+](C)[O-] CNP0579172.1 [0,0,0,0,0,0|3,0,1]=4 81 B4R0.1 C[C@@H](Cl)CCl CNP0573757.1 [0,0,0,0,0,0|2,0,2]=4 82 B4R0.1 C[C@@H](N)CO CNP0589695.1 [0,0,0,0,0,0|1,0,3]=4 83 B4R0.1 C[C@@H](O)C#N CNP0491457.1 [0,0,0,0,0,0|1,0,3]=4 84 B4R0.1 C[C@@H](O)C=O CNP0482941.1 [0,0,0,0,0,0|0,0,2]=2 85 B4R0.1 C[C@@H](O)CO CNP0522839.2 [0,0,0,0,0,0|0,0,4]=4 86 B4R0.1 C[C@H](N)CO CNP0589695.2 [0,0,0,0,0,0|1,0,3]=4 87 B4R0.1 C[C@H](O)C=O CNP0482941.2 [0,0,0,0,0,0|0,0,2]=2 88 B4R0.1 C[C@H](O)CBr CNP0593715.1 [0,0,0,0,0,0|1,0,3]=4 89 B4R0.1 C[C@H](O)CN CNP0571248.1 [0,0,0,0,0,0|1,0,3]=4 90 B4R0.1 C[C@H](O)CO CNP0522839.1 [0,0,0,0,0,0|0,0,4]=4 91 B4R0.1 C[C](C)C=O CNP0568847.0 [0,0,0,0,0,0|1,0,1]=2 92 B4R0.1 ClC=C(Cl)Cl CNP0539983.0 [0,0,0,0,0,0|3,0,0]=3 93 B4R0.1 N=C(N)NN CNP0538712.0 [0,0,0,0,0,0|4,0,0]=4 94 B4R0.1 N=C(N)NO CNP0496900.0 [0,0,0,0,0,0|3,0,1]=4 95 B4R0.1 N=CC(=O)O CNP0521453.0 [0,0,0,0,0,0|2,0,0]=2 96 B4R0.1 NC(=O)CCl CNP0572781.0 [0,0,0,0,0,0|2,0,1]=3 97 B4R0.1 NC(=O)CI CNP0573172.0 [0,0,0,0,0,0|2,0,1]=3 98 B4R0.1 NC(=O)CO CNP0610142.0 [0,0,0,0,0,0|1,0,2]=3 99 B4R0.1 NC(=O)NO CNP0593192.0 [0,0,0,0,0,0|2,0,1]=3 100 B4R0.1 NCC(=O)N CNP0542212.0 [0,0,0,0,0,0|2,0,1]=3 101 B4R0.1 NCC(=O)O CNP0563879.0 [0,0,0,0,0,0|2,0,1]=3 102 B4R0.1 NCC(=O)[O] CNP0605168.0 [0,0,0,0,0,0|2,0,1]=3 103 B4R0.1 NN=C(N)N CNP0609058.0 [0,0,0,0,0,0|4,0,0]=4 104 B4R0.1 NNC(=S)N CNP0493193.0 [0,0,0,0,0,0|3,1,0]=4 105 B4R0.1 O=C(Cl)CCl CNP0491057.0 [0,0,0,0,0,0|2,0,1]=3 106 B4R0.1 O=C(Cl)CI CNP0533753.0 [0,0,0,0,0,0|2,0,1]=3 107 B4R0.1 O=C(Cl)SCl CNP0604698.0 [0,0,0,0,0,0|3,0,0]=3 108 B4R0.1 O=C(O)CBr CNP0605480.0 [0,0,0,0,0,0|2,0,1]=3 109 B4R0.1 O=C(O)CCl CNP0514898.0 [0,0,0,0,0,0|2,0,1]=3 110 B4R0.1 O=C(O)CI CNP0542117.0 [0,0,0,0,0,0|2,0,1]=3 111 B4R0.1 O=C(O)CO CNP0564020.0 [0,0,0,0,0,0|1,0,2]=3 112 B4R0.1 O=C(O)CS CNP0502399.0 [0,0,0,0,0,0|1,1,1]=3 113 B4R0.1 O=CC(=O)O CNP0571230.0 [0,0,0,0,0,0|1,0,0]=1 114 B4R0.1 O=CC(Br)Br CNP0551465.0 [0,0,0,0,0,0|2,0,1]=3 115 B4R0.1 O=CC(Cl)Cl CNP0500598.0 [0,0,0,0,0,0|2,0,1]=3 116 B4R0.1 O=N[N+](=O)[O-] CNP0609066.0 [0,0,0,0,0,0|3,0,0]=3 117 B4R0.1 O=[N+]([O-])O[Ag] CNP0571678.0 [0,0,0,0,0,0|4,0,0]=4 118 B3R0.1 C#CC=O CNP0511000.0 [1,0,0,0,0,0|0,0,2]=3 119 B3R0.1 C#CCC CNP0509561.0 [1,0,0,0,0,0|1,0,2]=4 120 B3R0.1 C#[N+]CC CNP0559170.0 [1,0,0,0,0,0|2,0,1]=4 121 B3R0.1 C=C=CBr CNP0595246.0 [1,0,0,0,0,0|1,0,2]=4 122 B3R0.1 C=C=CC CNP0584937.0 [1,0,0,0,0,0|1,0,1]=3 123 B3R0.1 C=CC#N CNP0580732.0 [1,0,0,0,0,0|1,0,2]=4 124 B3R0.1 C=CC=C CNP0574781.0 [1,0,0,0,0,0|1,0,1]=3 125 B3R0.1 C=CC=O CNP0603221.0 [1,0,0,0,0,0|0,0,1]=2 126 B3R0.1 C=CC=S CNP0501678.0 [1,0,0,0,0,0|0,1,1]=3 127 B3R0.1 C=CCC CNP0490956.0 [1,0,0,0,0,0|1,0,1]=3 128 B3R0.1 C=CCN CNP0585503.0 [1,0,0,0,0,0|1,0,2]=4 129 B3R0.1 C=CCO CNP0561492.0 [1,0,0,0,0,0|0,0,3]=4 130 B3R0.1 C=CCS CNP0575677.0 [1,0,0,0,0,0|0,1,2]=4 131 B3R0.1 C=COC CNP0611794.0 [1,0,0,0,0,0|2,0,0]=3 132 B3R0.1 CC#CC CNP0556029.0 [1,0,0,0,0,0|1,0,2]=4 133 B3R0.1 CC=CBr CNP0509639.0 [1,0,0,0,0,0|1,0,0]=2 134 B3R0.1 CC=CC CNP0597271.0 [1,0,0,0,0,0|1,0,0]=2 135 B3R0.1 CC=CS CNP0589530.0 [1,0,0,0,0,0|0,1,0]=2 136 B3R0.1 CC=NO CNP0512137.0 [1,0,0,0,0,0|1,0,1]=3 137 B3R0.1 CC=[N+]=[N-] CNP0532727.0 [1,0,0,0,0,0|2,0,0]=3 138 B3R0.1 CCC#N CNP0564998.0 [1,0,0,0,0,0|1,0,2]=4 139 B3R0.1 CCC=O CNP0570013.0 [1,0,0,0,0,0|0,0,1]=2 140 B3R0.1 CCC=S CNP0546828.0 [1,0,0,0,0,0|0,1,1]=3 141 B3R0.1 CCCBr CNP0561445.0 [1,0,0,0,0,0|1,0,2]=4 142 B3R0.1 CCCC CNP0597736.0 [1,0,0,0,0,0|1,0,2]=4 143 B3R0.1 CCCI CNP0596010.0 [1,0,0,0,0,0|1,0,2]=4 144 B3R0.1 CCCN CNP0600530.0 [1,0,0,0,0,0|1,0,2]=4 145 B3R0.1 CCCO CNP0605151.0 [1,0,0,0,0,0|0,0,3]=4 146 B3R0.1 CCCS CNP0572992.0 [1,0,0,0,0,0|0,1,2]=4 147 B3R0.1 CCN=O CNP0552947.0 [1,0,0,0,0,0|1,0,1]=3 148 B3R0.1 CCNC CNP0563252.0 [1,0,0,0,0,0|2,0,1]=4 149 B3R0.1 CCOC CNP0484105.0 [1,0,0,0,0,0|2,0,1]=4 150 B3R0.1 CCOO CNP0591807.0 [1,0,0,0,0,0|1,0,2]=4 151 B3R0.1 CCSC CNP0596541.0 [1,0,0,0,0,0|2,0,1]=4 152 B3R0.1 CCSO CNP0559716.0 [1,0,0,0,0,0|1,0,2]=4 153 B3R0.1 CN=C=O CNP0542197.0 [1,0,0,0,0,0|1,0,1]=3 154 B3R0.1 CN=C=S CNP0601890.0 [1,0,0,0,0,0|1,1,1]=4 155 B3R0.1 CNC=O CNP0565671.0 [1,0,0,0,0,0|1,0,0]=2 156 B3R0.1 CNNC CNP0493834.0 [1,0,0,0,0,0|3,0,0]=4 157 B3R0.1 COC=O CNP0494242.0 [1,0,0,0,0,0|1,0,0]=2 158 B3R0.1 COOC CNP0610139.0 [1,0,0,0,0,0|3,0,0]=4 159 B3R0.1 CSC#N CNP0493602.0 [1,0,0,0,0,0|2,0,1]=4 160 B3R0.1 CSSC CNP0600942.0 [1,0,0,0,0,0|3,0,0]=4 161 B3R0.1 C[Se][Se]C CNP0508246.0 [1,0,0,0,0,0|3,0,0]=4 162 B3R0.1 ClC=CCl CNP0610334.0 [1,0,0,0,0,0|2,0,0]=3 163 B3R0.1 N=CCN CNP0547283.0 [1,0,0,0,0,0|2,0,1]=4 164 B3R0.1 NC=CS CNP0577276.0 [1,0,0,0,0,0|1,1,0]=3 165 B3R0.1 NCC=O CNP0566697.0 [1,0,0,0,0,0|1,0,1]=3 166 B3R0.1 NNC=O CNP0501881.0 [1,0,0,0,0,0|2,0,0]=3 167 B3R0.1 O=BOO CNP0541096.0 [1,0,0,0,0,0|2,0,1]=4 168 B3R0.1 O=CC=O CNP0605189.0 [1,0,0,0,0,0|0,0,0]=1 169 B3R0.1 O=CCBr CNP0516788.0 [1,0,0,0,0,0|1,0,1]=3 170 B3R0.1 O=CCO CNP0600524.0 [1,0,0,0,0,0|0,0,2]=3 171 B3R0.1 O=CCS CNP0591045.0 [1,0,0,0,0,0|0,1,1]=3 172 B3R0.1 O=NOO CNP0508221.0 [1,0,0,0,0,0|2,0,1]=4 173 B3R0.1 OC=CO CNP0508859.0 [1,0,0,0,0,0|0,0,2]=3 174 B3R0.2 C=C(C)C CNP0512482.0 [1,0,0,0,0,0|1,0,0]=2 175 B3R0.2 C=C(C)O CNP0514997.0 [1,0,0,0,0,0|0,0,1]=2 176 B3R0.2 C=C(Cl)Cl CNP0573882.0 [1,0,0,0,0,0|2,0,0]=3 177 B3R0.2 CC(=N)S CNP0537692.0 [1,0,0,0,0,0|1,1,0]=3 178 B3R0.2 CC(=O)C CNP0572494.0 [1,0,0,0,0,0|0,0,1]=2 179 B3R0.2 CC(=O)Cl CNP0537278.0 [1,0,0,0,0,0|1,0,0]=2 180 B3R0.2 CC(=O)N CNP0570171.0 [1,0,0,0,0,0|1,0,0]=2 181 B3R0.2 CC(=O)O CNP0495539.0 [1,0,0,0,0,0|0,0,1]=2 182 B3R0.2 CC(=O)[O-] CNP0505268.0 [1,0,0,0,0,0|0,0,1]=2 183 B3R0.2 CC(=S)N CNP0579768.0 [1,0,0,0,0,0|1,1,0]=3 184 B3R0.2 CC(C)C CNP0580677.0 [1,0,0,0,0,0|1,0,2]=4 185 B3R0.2 CC(C)I CNP0515098.0 [1,0,0,0,0,0|1,0,2]=4 186 B3R0.2 CC(C)N CNP0574231.0 [1,0,0,0,0,0|1,0,2]=4 187 B3R0.2 CC(C)O CNP0603430.0 [1,0,0,0,0,0|0,0,3]=4 188 B3R0.2 CC(C)S CNP0483016.0 [1,0,0,0,0,0|0,1,2]=4 189 B3R0.2 CN(C)C CNP0522907.0 [1,0,0,0,0,0|2,0,1]=4 190 B3R0.2 CN(C)N CNP0573264.0 [1,0,0,0,0,0|2,0,1]=4 191 B3R0.2 CP(=O)O CNP0480086.0 [1,0,0,0,0,0|1,0,1]=3 192 B3R0.2 CP(C)C CNP0586622.0 [1,0,0,0,0,0|2,0,1]=4 193 B3R0.2 CS(=S)O CNP0609306.0 [1,0,0,0,0,0|1,1,1]=4 194 B3R0.2 C[As](C)C CNP0539997.0 [1,0,0,0,0,0|2,0,1]=4 195 B3R0.2 C[As](C)O CNP0541907.0 [1,0,0,0,0,0|1,0,2]=4 196 B3R0.2 C[As](O)O CNP0579708.0 [1,0,0,0,0,0|1,0,2]=4 197 B3R0.2 C[N+](=N)[O-] CNP0532542.0 [1,0,0,0,0,0|2,0,1]=4 198 B3R0.2 C[S+](C)C CNP0555694.0 [1,0,0,0,0,0|2,0,1]=4 199 B3R0.2 C[S+](C)[O-] CNP0499675.0 [1,0,0,0,0,0|1,0,2]=4 200 B3R0.2 C[Se+](C)C CNP0504179.0 [1,0,0,0,0,0|2,0,1]=4 201 B3R0.2 C[SeH2](=[Se])C CNP0610734.0 [1,0,0,0,0,0|1,1,1]=4 202 B3R0.2 C[SeH](C)[SeH] CNP0608908.0 [1,0,0,0,0,0|1,1,1]=4 203 B3R0.2 C[Se](=O)O CNP0501647.0 [1,0,0,0,0,0|1,0,1]=3 204 B3R0.2 N=C(N)N CNP0564001.0 [1,0,0,0,0,0|3,0,0]=4 205 B3R0.2 N=C(N)S CNP0589508.0 [1,0,0,0,0,0|2,1,0]=4 206 B3R0.2 N=C(S)S CNP0522891.0 [1,0,0,0,0,0|1,2,0]=4 207 B3R0.2 NC(=O)N CNP0520286.0 [1,0,0,0,0,0|2,0,0]=3 208 B3R0.2 NC(=O)O CNP0575336.0 [1,0,0,0,0,0|1,0,1]=3 209 B3R0.2 NC(=S)N CNP0599742.0 [1,0,0,0,0,0|2,1,0]=4 210 B3R0.2 NC(=S)S CNP0574797.0 [1,0,0,0,0,0|1,2,0]=4 211 B3R0.2 N[14C](=O)N CNP0600423.0 [1,0,0,0,0,0|2,0,0]=3 212 B3R0.2 O=C(O)O CNP0491655.0 [1,0,0,0,0,0|1,0,1]=3 213 B3R0.2 O=C(O)P CNP0562466.0 [1,0,0,0,0,0|1,0,1]=3 214 B3R0.2 O=P(O)O CNP0517495.0 [1,0,0,0,0,0|2,0,1]=4 215 B3R0.2 O=S(=O)O CNP0578309.0 [1,0,0,0,0,0|2,0,0]=3 216 B3R0.2 O=S(O)O CNP0520227.0 [1,0,0,0,0,0|2,0,1]=4 217 B3R0.2 O=[Mo+6](O)O CNP0512146.0 [1,0,0,0,0,0|2,0,1]=4 218 B3R0.2 O=[Mo](=O)S CNP0576700.0 [1,0,0,0,0,0|2,0,0]=3 219 B3R0.2 O=[N+]([O-])O CNP0534371.0 [1,0,0,0,0,0|2,0,1]=4 220 B3R0.2 O=[Se](O)O CNP0605088.0 [1,0,0,0,0,0|2,0,1]=4 221 B3R0.2 O=[Si](O)O CNP0567325.0 [1,0,0,0,0,0|1,1,1]=4 222 B3R0.2 [CH2]C(C)C CNP0571096.0 [1,0,0,0,0,0|1,0,2]=4 223 B5R0.1 C#CCC(=O)O CNP0049385.0 [0,1,0,0,0,0|2,0,1]=4 224 B5R0.1 C=C(C)C=CC CNP0348667.0 [0,1,0,0,0,0|2,0,0]=3 225 B5R0.1 C=C(C)CCC CNP0179329.0 [0,1,0,0,0,0|2,0,1]=4 226 B5R0.1 C=C(C)CCO CNP0285127.0 [0,1,0,0,0,0|1,0,2]=4 227 B5R0.1 C=CC=C(C)C CNP0130651.0 [0,1,0,0,0,0|2,0,0]=3 228 B5R0.1 C=CCC(=O)C CNP0385825.0 [0,1,0,0,0,0|1,0,0]=2 229 B5R0.1 C=CCC(=O)N CNP0292806.0 [0,1,0,0,0,0|2,0,0]=3 230 B5R0.1 C=CCC(=O)O CNP0172155.0 [0,1,0,0,0,0|2,0,0]=3 231 B5R0.1 C=CCC(C)C CNP0293683.0 [0,1,0,0,0,0|2,0,1]=4 232 B5R0.1 C=CCC(C)O CNP0594112.0 [0,1,0,0,0,0|1,0,2]=4 233 B5R0.1 C=CC[S@+](C)[O-] CNP0483153.2 [0,1,0,0,0,0|2,0,1]=4 234 B5R0.1 C=CC[S@@+](C)[O-] CNP0483153.1 [0,1,0,0,0,0|2,0,1]=4 235 B5R0.1 C=COC(=O)C CNP0003526.0 [0,1,0,0,0,0|1,0,0]=2 236 B5R0.1 C=COC(C)C CNP0491165.0 [0,1,0,0,0,0|2,0,1]=4 237 B5R0.1 CC(=CC#N)C CNP0294715.0 [0,1,0,0,0,0|2,0,0]=3 238 B5R0.1 CC(=CC=O)C CNP0325416.0 [0,1,0,0,0,0|1,0,0]=2 239 B5R0.1 CC(=CCO)C CNP0241702.0 [0,1,0,0,0,0|1,0,1]=3 240 B5R0.1 CC(=CCS)C CNP0262600.0 [0,1,0,0,0,0|1,1,0]=3 241 B5R0.1 CC(=O)C=NO CNP0397193.0 [0,1,0,0,0,0|0,0,1]=2 242 B5R0.1 CC(=O)CCO CNP0251527.0 [0,1,0,0,0,0|0,0,2]=3 243 B5R0.1 CC(=O)CCS CNP0404753.0 [0,1,0,0,0,0|0,1,1]=3 244 B5R0.1 CC(=O)OCS CNP0547679.0 [0,1,0,0,0,0|0,1,1]=3 245 B5R0.1 CC(C)C=CO CNP0546358.0 [0,1,0,0,0,0|1,0,2]=4 246 B5R0.1 CC(C)C=NO CNP0180575.0 [0,1,0,0,0,0|1,0,2]=4 247 B5R0.1 CC(C)CC=O CNP0200023.0 [0,1,0,0,0,0|1,0,1]=3 248 B5R0.1 CC(C)N=C=O CNP0495487.0 [0,1,0,0,0,0|1,0,2]=4 249 B5R0.1 CC(C)OC=O CNP0079775.0 [0,1,0,0,0,0|1,0,1]=3 250 B5R0.1 CC=CC(=N)S CNP0609462.0 [0,1,0,0,0,0|2,1,0]=4 251 B5R0.1 CC=CC(=O)C CNP0158055.0 [0,1,0,0,0,0|1,0,0]=2 252 B5R0.1 CC=CC(=O)Cl CNP0018733.0 [0,1,0,0,0,0|2,0,0]=3 253 B5R0.1 CC=CC(=O)N CNP0376163.0 [0,1,0,0,0,0|2,0,0]=3 254 B5R0.1 CC=CC(=O)O CNP0379669.0 [0,1,0,0,0,0|2,0,0]=3 255 B5R0.1 CC=CC(=O)S CNP0128183.0 [0,1,0,0,0,0|2,0,0]=3 256 B5R0.1 CC=CC(=S)N CNP0219494.0 [0,1,0,0,0,0|2,1,0]=4 257 B5R0.1 CC=CC(C)C CNP0513218.0 [0,1,0,0,0,0|2,0,1]=4 258 B5R0.1 CC=CC(C)O CNP0150168.0 [0,1,0,0,0,0|1,0,2]=4 259 B5R0.1 CCC=C(C)C CNP0331653.0 [0,1,0,0,0,0|2,0,0]=3 260 B5R0.1 CCC=C(C)O CNP0225775.0 [0,1,0,0,0,0|1,0,1]=3 261 B5R0.1 CCCC(=O)C CNP0169448.0 [0,1,0,0,0,0|1,0,1]=3 262 B5R0.1 CCCC(=O)N CNP0115101.0 [0,1,0,0,0,0|2,0,1]=4 263 B5R0.1 CCCC(=O)O CNP0259447.0 [0,1,0,0,0,0|2,0,1]=4 264 B5R0.1 CCCC(=O)[O-] CNP0521413.0 [0,1,0,0,0,0|2,0,1]=4 265 B5R0.1 CCNC(=O)C CNP0260078.0 [0,1,0,0,0,0|1,0,1]=3 266 B5R0.1 CCOC(=O)C CNP0322418.0 [0,1,0,0,0,0|1,0,1]=3 267 B5R0.1 CCOC(=O)N CNP0336700.0 [0,1,0,0,0,0|2,0,1]=4 268 B5R0.1 CCOC(=O)O CNP0166515.0 [0,1,0,0,0,0|2,0,1]=4 269 B5R0.1 CCO[13C](=O)C CNP0577601.0 [0,1,0,0,0,0|1,0,1]=3 270 B5R0.1 CCSC(=O)C CNP0274861.0 [0,1,0,0,0,0|1,0,1]=3 271 B5R0.1 CN=CC(C)C CNP0149349.0 [0,1,0,0,0,0|2,0,1]=4 272 B5R0.1 CNCC(=O)O CNP0307073.0 [0,1,0,0,0,0|2,0,1]=4 273 B5R0.1 CNCC(=O)O CNP0563704.0 [0,1,0,0,0,0|2,0,1]=4 274 B5R0.1 CNCC(=O)[O-] CNP0565920.0 [0,1,0,0,0,0|2,0,1]=4 275 B5R0.1 COCC(=O)C CNP0581024.0 [0,1,0,0,0,0|0,0,2]=3 276 B5R0.1 COCC(=O)O CNP0343219.0 [0,1,0,0,0,0|1,0,2]=4 277 B5R0.1 CSCC(=O)C CNP0002513.0 [0,1,0,0,0,0|0,1,1]=3 278 B5R0.1 CSCC(=O)O CNP0447839.0 [0,1,0,0,0,0|1,1,1]=4 279 B5R0.1 C[C@@H](O)CC=O CNP0197470.1 [0,1,0,0,0,0|0,0,2]=3 280 B5R0.1 C[Se]CC(=O)O CNP0526449.0 [0,1,0,0,0,0|1,1,1]=4 281 B5R0.1 C[Te]CC(=O)O CNP0537189.0 [0,1,0,0,0,0|1,1,1]=4 282 B5R0.1 N#CCC(=O)N CNP0086390.0 [0,1,0,0,0,0|2,0,1]=4 283 B5R0.1 N#CCC(=O)O CNP0269115.0 [0,1,0,0,0,0|2,0,1]=4 284 B5R0.1 NC(=O)C=CI CNP0204270.0 [0,1,0,0,0,0|2,0,0]=3 285 B5R0.1 NCCC(=O)O CNP0226336.0 [0,1,0,0,0,0|2,0,1]=4 286 B5R0.1 NCNC(=O)N CNP0046326.0 [0,1,0,0,0,0|2,0,1]=4 287 B5R0.1 NOCC(=O)O CNP0293826.0 [0,1,0,0,0,0|1,0,2]=4 288 B5R0.1 O=C(O)C=CBr CNP0310992.0 [0,1,0,0,0,0|2,0,0]=3 289 B5R0.1 O=C(O)C=CCl CNP0293481.0 [0,1,0,0,0,0|2,0,0]=3 290 B5R0.1 O=C(O)C=CI CNP0239582.0 [0,1,0,0,0,0|2,0,0]=3 291 B5R0.1 O=C(O)C=NO CNP0286362.0 [0,1,0,0,0,0|1,0,1]=3 292 B5R0.1 O=C(O)CCO CNP0228379.0 [0,1,0,0,0,0|1,0,2]=4 293 B5R0.1 O=C(O)CCS CNP0097385.0 [0,1,0,0,0,0|1,1,1]=4 294 B5R0.1 O=C(O)CNO CNP0316873.0 [0,1,0,0,0,0|1,0,2]=4 295 B5R0.1 O=CC=C(Br)Br CNP0270728.0 [0,1,0,0,0,0|2,0,0]=3 296 B5R0.1 O=CCC(=O)O CNP0149091.0 [0,1,0,0,0,0|1,0,0]=2 297 B5R0.1 [C-]#[N+]CC(=O)O CNP0534475.0 [0,1,0,0,0,0|2,0,1]=4 298 B5R0.3 C#CC(=O)OC CNP0572702.0 [0,1,0,0,0,0|1,0,1]=3 299 B5R0.3 C=C(C#N)CC CNP0541651.0 [0,1,0,0,0,0|2,0,1]=4 300 B5R0.3 C=C(C=O)CC CNP0542605.0 [0,1,0,0,0,0|1,0,0]=2 301 B5R0.3 C=CC(=CC)C CNP0134384.0 [0,1,0,0,0,0|2,0,0]=3 302 B5R0.3 C=CC(=O)CC CNP0362181.0 [0,1,0,0,0,0|1,0,0]=2 303 B5R0.3 C=CC(=O)OC CNP0217866.0 [0,1,0,0,0,0|1,0,0]=2 304 B5R0.3 C=C[C@@H](O)CC CNP0331558.1 [0,1,0,0,0,0|1,0,2]=4 305 B5R0.3 C=C[C@H](C)CO CNP0600503.1 [0,1,0,0,0,0|1,0,2]=4 306 B5R0.3 C=C[C@H](O)CC CNP0331558.2 [0,1,0,0,0,0|1,0,2]=4 307 B5R0.3 CC(=NO)CO CNP0284253.0 [0,1,0,0,0,0|0,0,3]=4 308 B5R0.3 CC=C(C)C=O CNP0281160.0 [0,1,0,0,0,0|1,0,0]=2 309 B5R0.3 CC=C(C)CC CNP0247687.0 [0,1,0,0,0,0|2,0,0]=3 310 B5R0.3 CC=C(C)CO CNP0120418.0 [0,1,0,0,0,0|1,0,1]=3 311 B5R0.3 CCC(=CS)C CNP0025997.0 [0,1,0,0,0,0|1,1,0]=3 312 B5R0.3 CCC(=O)C=O CNP0301331.0 [0,1,0,0,0,0|0,0,0]=1 313 B5R0.3 CCC(=O)CC CNP0270305.0 [0,1,0,0,0,0|1,0,1]=3 314 B5R0.3 CCC(=O)CO CNP0165007.0 [0,1,0,0,0,0|0,0,2]=3 315 B5R0.3 CCC(=O)NN CNP0281170.0 [0,1,0,0,0,0|2,0,0]=3 316 B5R0.3 CCC(=O)OC CNP0166631.0 [0,1,0,0,0,0|1,0,1]=3 317 B5R0.3 CCC(=O)SC CNP0240172.0 [0,1,0,0,0,0|1,0,1]=3 318 B5R0.3 CC[C@@H](C)C=O CNP0220551.2 [0,1,0,0,0,0|1,0,1]=3 319 B5R0.3 CC[C@H](C)C=O CNP0220551.1 [0,1,0,0,0,0|1,0,1]=3 320 B5R0.3 CN(C=O)CO CNP0412364.0 [0,1,0,0,0,0|1,0,1]=3 321 B5R0.3 CNC(=N)NC CNP0404528.0 [0,1,0,0,0,0|3,0,0]=4 322 B5R0.3 CNC(=O)NC CNP0028412.0 [0,1,0,0,0,0|2,0,0]=3 323 B5R0.3 CNC(=O)OC CNP0483114.0 [0,1,0,0,0,0|2,0,0]=3 324 B5R0.3 COC(=O)CI CNP0017842.0 [0,1,0,0,0,0|1,0,1]=3 325 B5R0.3 COC(=O)NN CNP0033099.0 [0,1,0,0,0,0|2,0,0]=3 326 B5R0.3 N#CC(=O)C#N CNP0604126.0 [0,1,0,0,0,0|1,0,2]=4 327 B5R0.3 NCC(=O)NO CNP0470573.0 [0,1,0,0,0,0|1,0,1]=3 328 B5R0.3 O=C(CBr)CBr CNP0132836.0 [0,1,0,0,0,0|1,0,1]=3 329 B5R0.3 O=C(CBr)CI CNP0145168.0 [0,1,0,0,0,0|1,0,1]=3 330 B5R0.3 O=C(CCl)CBr CNP0149884.0 [0,1,0,0,0,0|1,0,1]=3 331 B5R0.3 O=C(CCl)CCl CNP0301990.0 [0,1,0,0,0,0|1,0,1]=3 332 B5R0.3 O=C(CCl)CI CNP0408833.0 [0,1,0,0,0,0|1,0,1]=3 333 B5R0.3 O=C(CO)CCl CNP0281226.0 [0,1,0,0,0,0|0,0,2]=3 334 B5R0.3 O=C(CO)CO CNP0303926.0 [0,1,0,0,0,0|0,0,2]=3 335 B5R0.3 O=CC(=CO)O CNP0278717.0 [0,1,0,0,0,0|0,0,2]=3 336 B5R0.3 O=CC(O)C=O CNP0083225.0 [0,1,0,0,0,0|1,0,1]=3 337 B5R0.3 O=C[C@H](O)CO CNP0359959.1 [0,1,0,0,0,0|0,0,2]=3 338 B5R0.3 [O]CC(=O)CCl CNP0505790.0 [0,1,0,0,0,0|0,0,2]=3 339 B5R0.4 C=CC(C)(C)O CNP0337361.0 [0,1,0,0,0,0|1,0,2]=4 340 B5R0.4 C=CS(=O)(=O)O CNP0571857.0 [0,1,0,0,0,0|3,0,0]=4 341 B5R0.4 C=C[N+](C)(C)C CNP0076784.0 [0,1,0,0,0,0|3,0,0]=4 342 B5R0.4 C=C[N+](C)(C)C CNP0591850.0 [0,1,0,0,0,0|3,0,0]=4 343 B5R0.4 CC(C)(C)C=O CNP0320383.0 [0,1,0,0,0,0|1,0,1]=3 344 B5R0.4 CC(C)(C)N=O CNP0030824.0 [0,1,0,0,0,0|2,0,1]=4 345 B5R0.4 CC(C)(O)C=O CNP0300882.0 [0,1,0,0,0,0|0,0,2]=3 346 B5R0.4 COS(=O)(=O)C CNP0336702.0 [0,1,0,0,0,0|3,0,0]=4 347 B5R0.4 CO[As](=O)(C)C CNP0017834.0 [0,1,0,0,0,0|3,0,0]=4 348 B5R0.4 CP(=O)(C)CO CNP0140331.0 [0,1,0,0,0,0|1,0,2]=4 349 B5R0.4 CSS(=O)(=O)C CNP0305173.0 [0,1,0,0,0,0|3,0,0]=4 350 B5R0.4 O=CC(Br)(Br)Br CNP0335672.0 [0,1,0,0,0,0|2,0,1]=4 351 B5R0.4 O=CC(Cl)(Cl)Cl CNP0323670.0 [0,1,0,0,0,0|2,0,1]=4 352 B5R0.4 O=CC(I)(I)I CNP0246473.0 [0,1,0,0,0,0|2,0,1]=4 353 B5R0.5 C=C(C)C(=C)C CNP0186706.0 [0,1,0,0,0,0|2,0,0]=3 354 B5R0.5 C=C(C)C(=O)C CNP0137327.0 [0,1,0,0,0,0|1,0,0]=2 355 B5R0.5 C=C(C)C(=O)Cl CNP0281632.0 [0,1,0,0,0,0|1,0,0]=2 356 B5R0.5 C=C(C)C(=O)N CNP0186369.0 [0,1,0,0,0,0|1,0,0]=2 357 B5R0.5 C=C(C)C(=O)O CNP0147624.0 [0,1,0,0,0,0|1,0,0]=2 358 B5R0.5 C=C(C)[C@@H](C)O CNP0221154.1 [0,1,0,0,0,0|1,0,2]=4 359 B5R0.5 C=C(C)[C@H](C)O CNP0221154.2 [0,1,0,0,0,0|1,0,2]=4 360 B5R0.5 C=C(Cl)C(=O)Cl CNP0018136.0 [0,1,0,0,0,0|1,0,1]=3 361 B5R0.5 C=C(Cl)C(=O)N CNP0229491.0 [0,1,0,0,0,0|1,0,1]=3 362 B5R0.5 C=C(Cl)C(=O)O CNP0239649.0 [0,1,0,0,0,0|1,0,1]=3 363 B5R0.5 C=C(N)C(=O)N CNP0591175.0 [0,1,0,0,0,0|1,0,1]=3 364 B5R0.5 C=C(N)C(=O)O CNP0224979.0 [0,1,0,0,0,0|1,0,1]=3 365 B5R0.5 C=C(O)C(=O)O CNP0422136.0 [0,1,0,0,0,0|0,0,2]=3 366 B5R0.5 C=C(O)C(C)C CNP0150035.0 [0,1,0,0,0,0|1,0,2]=4 367 B5R0.5 CC(=C(C)C)C CNP0192659.0 [0,1,0,0,0,0|2,0,0]=3 368 B5R0.5 CC(=C(C)O)C CNP0164530.0 [0,1,0,0,0,0|1,0,1]=3 369 B5R0.5 CC(=N)C(=O)O CNP0556238.0 [0,1,0,0,0,0|1,0,0]=2 370 B5R0.5 CC(=O)C(=O)C CNP0153215.0 [0,1,0,0,0,0|0,0,0]=1 371 B5R0.5 CC(=O)C(=O)N CNP0289593.0 [0,1,0,0,0,0|0,0,0]=1 372 B5R0.5 CC(=O)C(=O)O CNP0269827.0 [0,1,0,0,0,0|0,0,0]=1 373 B5R0.5 CC(=O)C(Br)Br CNP0186139.0 [0,1,0,0,0,0|1,0,1]=3 374 B5R0.5 CC(=O)C(C)C CNP0209504.0 [0,1,0,0,0,0|1,0,1]=3 375 B5R0.5 CC(=O)C(C)S CNP0409589.0 [0,1,0,0,0,0|0,1,1]=3 376 B5R0.5 CC(=O)C(O)O CNP0547141.0 [0,1,0,0,0,0|0,0,2]=3 377 B5R0.5 CC(=O)N(C)C CNP0083052.0 [0,1,0,0,0,0|2,0,0]=3 378 B5R0.5 CC(=O)[C@@H](C)O CNP0395416.2 [0,1,0,0,0,0|0,0,2]=3 379 B5R0.5 CC(=O)[C@H](C)O CNP0395416.1 [0,1,0,0,0,0|0,0,2]=3 380 B5R0.5 CC(C)C(=O)Cl CNP0337045.0 [0,1,0,0,0,0|1,0,1]=3 381 B5R0.5 CC(C)C(=O)N CNP0226996.0 [0,1,0,0,0,0|1,0,1]=3 382 B5R0.5 CC(C)C(=O)O CNP0197560.0 [0,1,0,0,0,0|1,0,1]=3 383 B5R0.5 CC(C)[N+](=O)[O-] CNP0587963.0 [0,1,0,0,0,0|2,0,1]=4 384 B5R0.5 CC(O)C(=O)[O-] CNP0519619.0 [0,1,0,0,0,0|0,0,2]=3 385 B5R0.5 CC(O)C(=O)[O-] CNP0556254.0 [0,1,0,0,0,0|0,0,2]=3 386 B5R0.5 CC(O)C(=O)[O-] CNP0561690.0 [0,1,0,0,0,0|0,0,2]=3 387 B5R0.5 CC(O)C(=O)[O-] CNP0579849.0 [0,1,0,0,0,0|0,0,2]=3 388 B5R0.5 CC(O)C(=O)[O-] CNP0592207.0 [0,1,0,0,0,0|0,0,2]=3 389 B5R0.5 CN(C)C(=N)N CNP0155822.0 [0,1,0,0,0,0|3,0,0]=4 390 B5R0.5 CN(C)C(=S)S CNP0033815.0 [0,1,0,0,0,0|2,1,0]=4 391 B5R0.5 C[C@@H](N)C(=O)O CNP0313085.2 [0,1,0,0,0,0|1,0,1]=3 392 B5R0.5 C[C@@H](O)C(=O)O CNP0232038.2 [0,1,0,0,0,0|0,0,2]=3 393 B5R0.5 C[C@H](N)C(=O)O CNP0313085.1 [0,1,0,0,0,0|1,0,1]=3 394 B5R0.5 C[C@H](O)C(=O)O CNP0232038.1 [0,1,0,0,0,0|0,0,2]=3 395 B5R0.5 C[C@H](S)C(=O)O CNP0223404.1 [0,1,0,0,0,0|0,1,1]=3 396 B5R0.5 ClC(=C(Cl)Cl)Cl CNP0108674.0 [0,1,0,0,0,0|3,0,0]=4 397 B5R0.5 NC(=O)C(=O)N CNP0365298.0 [0,1,0,0,0,0|1,0,0]=2 398 B5R0.5 NC(=O)C(=O)O CNP0300477.0 [0,1,0,0,0,0|1,0,0]=2 399 B5R0.5 NC(=O)C(Br)Br CNP0017791.0 [0,1,0,0,0,0|2,0,1]=4 400 B5R0.5 NC(=O)C(Cl)Cl CNP0516271.0 [0,1,0,0,0,0|2,0,1]=4 401 B5R0.5 NC(=O)C(I)I CNP0182681.0 [0,1,0,0,0,0|2,0,1]=4 402 B5R0.5 NC(=O)[C@@H](Cl)I CNP0321983.1 [0,1,0,0,0,0|2,0,1]=4 403 B5R0.5 N[C@H](O)C(=O)O CNP0294076.1 [0,1,0,0,0,0|1,0,2]=4 404 B5R0.5 O=C(Br)C(=O)Br CNP0244658.0 [0,1,0,0,0,0|1,0,0]=2 405 B5R0.5 O=C(O)C(=O)O CNP0235859.0 [0,1,0,0,0,0|1,0,0]=2 406 B5R0.5 O=C(O)C(Br)Br CNP0111357.0 [0,1,0,0,0,0|2,0,1]=4 407 B5R0.5 O=C(O)C(Cl)Cl CNP0151680.0 [0,1,0,0,0,0|2,0,1]=4 408 B5R0.5 O=C(O)C(I)I CNP0320084.0 [0,1,0,0,0,0|2,0,1]=4 409 B5R0.5 O=C(O)C(O)O CNP0603869.0 [0,1,0,0,0,0|1,0,2]=4 410 B5R0.5 O=C(O)[C@@H](Cl)Br CNP0017815.1 [0,1,0,0,0,0|2,0,1]=4 411 B5R0.5 O=C(O)[C@@H](Cl)I CNP0145949.2 [0,1,0,0,0,0|2,0,1]=4 412 B5R0.5 O=C(O)[C@H](Br)I CNP0246601.1 [0,1,0,0,0,0|2,0,1]=4 413 B5R0.5 O=C(O)[C@H](Cl)I CNP0145949.1 [0,1,0,0,0,0|2,0,1]=4 414 B5R0.5 O=S(O)S(=O)O CNP0446885.0 [0,1,0,0,0,0|3,0,0]=4 415 B5R0.5 O=[13C](O)[13C](=O)O CNP0502595.0 [0,1,0,0,0,0|1,0,0]=2 416 B5R1.2 O=C1CCO1 CNP0555602.0 [0,0,0,1,0,0|2,0,0]=3 417 B5R1.3 CC=C1CC1 CNP0594561.0 [0,0,0,1,0,0|2,0,0]=3 418 B2R0.1 C=CBr CNP0609063.0 [2,0,0,0,0,0|1,0,0]=3 419 B2R0.1 C=CC CNP0522895.0 [2,0,0,0,0,0|0,0,0]=2 420 B2R0.1 C=CO CNP0606787.0 [2,0,0,0,0,0|0,0,1]=3 421 B2R0.1 C=C[O] CNP0584213.0 [2,0,0,0,0,0|0,0,1]=3 422 B2R0.1 C=NO CNP0573273.0 [2,0,0,0,0,0|1,0,1]=4 423 B2R0.1 C=[N+]=[N-] CNP0484380.0 [2,0,0,0,0,0|2,0,0]=4 424 B2R0.1 CC#N CNP0510997.0 [2,0,0,0,0,0|1,0,1]=4 425 B2R0.1 CC=O CNP0566693.0 [2,0,0,0,0,0|0,0,0]=2 426 B2R0.1 CCBr CNP0511569.0 [2,0,0,0,0,0|1,0,1]=4 427 B2R0.1 CCC CNP0529348.0 [2,0,0,0,0,0|0,0,2]=4 428 B2R0.1 CCCl CNP0605324.0 [2,0,0,0,0,0|1,0,1]=4 429 B2R0.1 CCI CNP0562236.0 [2,0,0,0,0,0|1,0,1]=4 430 B2R0.1 CCN CNP0561286.0 [2,0,0,0,0,0|1,0,1]=4 431 B2R0.1 CCO CNP0546367.0 [2,0,0,0,0,0|0,0,2]=4 432 B2R0.1 CCS CNP0491795.0 [2,0,0,0,0,0|0,1,1]=4 433 B2R0.1 CN=N CNP0513298.0 [2,0,0,0,0,0|2,0,0]=4 434 B2R0.1 CNC CNP0491602.0 [2,0,0,0,0,0|1,0,1]=4 435 B2R0.1 CNN CNP0609070.0 [2,0,0,0,0,0|2,0,0]=4 436 B2R0.1 COC CNP0580850.0 [2,0,0,0,0,0|1,0,1]=4 437 B2R0.1 CON CNP0566773.0 [2,0,0,0,0,0|2,0,0]=4 438 B2R0.1 CPC CNP0528872.0 [2,0,0,0,0,0|1,0,1]=4 439 B2R0.1 CSC CNP0569922.0 [2,0,0,0,0,0|1,0,1]=4 440 B2R0.1 CSS CNP0611991.0 [2,0,0,0,0,0|1,1,0]=4 441 B2R0.1 C[C]=O CNP0538355.0 [2,0,0,0,0,0|0,0,1]=3 442 B2R0.1 C[C]O CNP0601692.0 [2,0,0,0,0,0|0,0,2]=4 443 B2R0.1 C[Se]C CNP0500399.0 [2,0,0,0,0,0|1,0,1]=4 444 B2R0.1 C[Te]C CNP0483858.0 [2,0,0,0,0,0|1,0,1]=4 445 B2R0.1 N=C=O CNP0504564.0 [2,0,0,0,0,0|1,0,1]=4 446 B2R0.1 NC=O CNP0569834.0 [2,0,0,0,0,0|1,0,0]=3 447 B2R0.1 NN=O CNP0610110.0 [2,0,0,0,0,0|2,0,0]=4 448 B2R0.1 O=BO CNP0512281.0 [2,0,0,0,0,0|1,0,1]=4 449 B2R0.1 O=C=O CNP0566212.0 [2,0,0,0,0,0|0,0,1]=3 450 B2R0.1 O=C=S CNP0558182.0 [2,0,0,0,0,0|0,1,1]=4 451 B2R0.1 O=CO CNP0494819.0 [2,0,0,0,0,0|0,0,1]=3 452 B2R0.1 O=NCl CNP0485266.0 [2,0,0,0,0,0|2,0,0]=4 453 B2R0.1 O=NO CNP0506888.0 [2,0,0,0,0,0|1,0,1]=4 454 B2R0.1 O=PO CNP0574430.0 [2,0,0,0,0,0|1,0,1]=4 455 B2R0.1 O=S=O CNP0483725.0 [2,0,0,0,0,0|1,0,0]=3 456 B2R0.1 O=[Mn]=O CNP0493383.0 [2,0,0,0,0,0|1,0,0]=3 457 B2R0.1 O=[Mn]=O CNP0609067.0 [2,0,0,0,0,0|1,0,0]=3 458 B2R0.1 O=[O+][O-] CNP0518683.0 [2,0,0,0,0,0|1,0,1]=4 459 B2R0.1 O=[Se]=O CNP0593099.0 [2,0,0,0,0,0|1,0,0]=3 460 B2R0.1 O=[Si]=O CNP0514392.0 [2,0,0,0,0,0|0,1,0]=3 461 B2R0.1 O=[Te]=O CNP0564386.0 [2,0,0,0,0,0|1,0,0]=3 462 B2R0.1 O=[Ti]=O CNP0587503.0 [2,0,0,0,0,0|1,0,0]=3 463 B2R0.1 [C-]#[N+]C CNP0561919.0 [2,0,0,0,0,0|1,0,1]=4 464 B2R0.1 [CH-]=CC CNP0546792.0 [2,0,0,0,0,0|0,0,1]=3 465 B2R0.1 [CH2]CC CNP0535049.0 [2,0,0,0,0,0|0,0,2]=4 466 B4R0.2 C#CC=CC CNP0541501.0 [1,1,0,0,0,0|1,0,0]=3 467 B4R0.2 C#CCC=O CNP0596193.0 [1,1,0,0,0,0|0,0,2]=4 468 B4R0.2 C=C=CCC CNP0484675.0 [1,1,0,0,0,0|1,0,1]=4 469 B4R0.2 C=CC=CC CNP0501543.0 [1,1,0,0,0,0|1,0,0]=3 470 B4R0.2 C=CC=NO CNP0532391.0 [1,1,0,0,0,0|0,0,2]=4 471 B4R0.2 C=CCC=C CNP0494589.0 [1,1,0,0,0,0|1,0,1]=4 472 B4R0.2 C=CCCC CNP0529271.0 [1,1,0,0,0,0|1,0,1]=4 473 B4R0.2 C=CCCN CNP0493733.0 [1,1,0,0,0,0|1,0,1]=4 474 B4R0.2 C=CCCO CNP0599473.0 [1,1,0,0,0,0|1,0,1]=4 475 B4R0.2 C=CCSC CNP0572475.0 [1,1,0,0,0,0|1,0,1]=4 476 B4R0.2 C=CC[Se]C CNP0612039.0 [1,1,0,0,0,0|1,0,1]=4 477 B4R0.2 C=COCC CNP0567970.0 [1,1,0,0,0,0|1,0,1]=4 478 B4R0.2 C=CSC=C CNP0525399.0 [1,1,0,0,0,0|1,0,1]=4 479 B4R0.2 C=CSCC CNP0581257.0 [1,1,0,0,0,0|1,0,1]=4 480 B4R0.2 CC=CC#N CNP0588304.0 [1,1,0,0,0,0|1,0,0]=3 481 B4R0.2 CC=CC=O CNP0576575.0 [1,1,0,0,0,0|0,0,0]=2 482 B4R0.2 CC=CCC CNP0524560.0 [1,1,0,0,0,0|1,0,0]=3 483 B4R0.2 CC=CCO CNP0498228.0 [1,1,0,0,0,0|0,0,1]=3 484 B4R0.2 CC=CCS CNP0606069.0 [1,1,0,0,0,0|0,1,0]=3 485 B4R0.2 CC=CSC CNP0587371.0 [1,1,0,0,0,0|0,1,0]=3 486 B4R0.2 CC=CSO CNP0521494.0 [1,1,0,0,0,0|0,0,1]=3 487 B4R0.2 CCC=NO CNP0599998.0 [1,1,0,0,0,0|0,0,2]=4 488 B4R0.2 CCC=S=O CNP0514855.0 [1,1,0,0,0,0|0,0,1]=3 489 B4R0.2 CCCC=O CNP0518034.0 [1,1,0,0,0,0|0,0,1]=3 490 B4R0.2 CCOC=O CNP0525155.0 [1,1,0,0,0,0|0,0,1]=3 491 B4R0.2 CCON=O CNP0596964.0 [1,1,0,0,0,0|1,0,1]=4 492 B4R0.2 CN=CC=S CNP0547393.0 [1,1,0,0,0,0|0,1,0]=3 493 B4R0.2 CSCC=O CNP0555203.0 [1,1,0,0,0,0|0,0,1]=3 494 B4R0.2 ClC=CCCl CNP0530301.0 [1,1,0,0,0,0|1,0,0]=3 495 B4R0.2 NCCC=O CNP0502520.0 [1,1,0,0,0,0|0,0,1]=3 496 B4R0.2 O=CC=CCl CNP0542132.0 [1,1,0,0,0,0|0,0,1]=3 497 B4R0.2 O=CCC=O CNP0495847.0 [1,1,0,0,0,0|0,0,0]=2 498 B4R0.2 O=CCCO CNP0525339.0 [1,1,0,0,0,0|0,0,1]=3 499 B4R0.2 O=[As]O[As]=O CNP0507371.0 [1,1,0,0,0,0|2,0,0]=4 500 B4R0.2 O=[Fe]O[Fe]=O CNP0593370.0 [1,1,0,0,0,0|2,0,0]=4 501 B4R0.2 OCC=CCl CNP0578872.0 [1,1,0,0,0,0|1,0,0]=3 502 B4R0.3 CP(=O)(O)O CNP0605019.0 [1,1,0,0,0,0|1,0,1]=4 503 B4R0.3 CS(=O)(=O)C CNP0605129.0 [1,1,0,0,0,0|1,0,0]=3 504 B4R0.3 CS(=O)(=O)Cl CNP0595350.0 [1,1,0,0,0,0|1,0,0]=3 505 B4R0.3 CS(=O)(=O)O CNP0491438.0 [1,1,0,0,0,0|1,0,0]=3 506 B4R0.3 CS(=O)(=O)S CNP0506131.0 [1,1,0,0,0,0|1,0,0]=3 507 B4R0.3 C[As](=O)(C)O CNP0492406.0 [1,1,0,0,0,0|1,0,1]=4 508 B4R0.3 C[As](=O)(O)O CNP0536186.0 [1,1,0,0,0,0|1,0,1]=4 509 B4R0.3 NS(=O)(=O)O CNP0504817.0 [1,1,0,0,0,0|2,0,0]=4 510 B4R0.3 O=P(=O)(O)O CNP0483652.0 [1,1,0,0,0,0|2,0,0]=4 511 B4R0.3 O=S(=O)(O)O CNP0526659.0 [1,1,0,0,0,0|2,0,0]=4 512 B4R0.3 O=S(=O)(O)S CNP0487364.0 [1,1,0,0,0,0|2,0,0]=4 513 B4R0.3 O=[Mn](=O)(=O)=O CNP0547520.0 [1,1,0,0,0,0|2,0,0]=4 514 B4R0.3 O=[Mn](=O)(=O)O CNP0564480.0 [1,1,0,0,0,0|2,0,0]=4 515 B4R0.3 O=[Mo](=O)(O)O CNP0592026.0 [1,1,0,0,0,0|2,0,0]=4 516 B4R0.3 O=[Se](=O)(O)O CNP0517052.0 [1,1,0,0,0,0|2,0,0]=4 517 B6R0.1 C=C(C=O)CC=O CNP0191239.0 [0,2,0,0,0,0|0,0,1]=3 518 B6R0.1 C=CC(=O)CCC CNP0162905.0 [0,2,0,0,0,0|1,0,0]=3 519 B6R0.1 C=CC(=O)OCC CNP0197495.0 [0,2,0,0,0,0|1,0,0]=3 520 B6R0.1 C=CC=C(C)C=C CNP0076815.0 [0,2,0,0,0,0|2,0,0]=4 521 B6R0.1 C=CC=C(C)CO CNP0191364.0 [0,2,0,0,0,0|1,0,1]=4 522 B6R0.1 C=CCC(=O)CC CNP0580605.0 [0,2,0,0,0,0|1,0,0]=3 523 B6R0.1 C=CC[C@H](C)C=O CNP0283012.1 [0,2,0,0,0,0|1,0,1]=4 524 B6R0.1 CC(=CC#N)C#N CNP0182038.0 [0,2,0,0,0,0|2,0,0]=4 525 B6R0.1 CC(=CC=O)CO CNP0083852.0 [0,2,0,0,0,0|0,0,1]=3 526 B6R0.1 CC(=CCO)CO CNP0277047.0 [0,2,0,0,0,0|0,0,2]=4 527 B6R0.1 CC=C(C)CSC CNP0003230.0 [0,2,0,0,0,0|1,1,0]=4 528 B6R0.1 CC=CC(=CC)C CNP0535908.0 [0,2,0,0,0,0|2,0,0]=4 529 B6R0.1 CC=CC(=O)CC CNP0127812.0 [0,2,0,0,0,0|1,0,0]=3 530 B6R0.1 CC=CC(=O)OC CNP0003452.0 [0,2,0,0,0,0|1,0,0]=3 531 B6R0.1 CC=NN(C)C=O CNP0241743.0 [0,2,0,0,0,0|2,0,0]=4 532 B6R0.1 CCC(=O)CSC CNP0170567.0 [0,2,0,0,0,0|0,1,1]=4 533 B6R0.1 CCC(C)CC=O CNP0531748.0 [0,2,0,0,0,0|1,0,1]=4 534 B6R0.1 CCC(C)NC=O CNP0583042.0 [0,2,0,0,0,0|1,0,1]=4 535 B6R0.1 CCC(C)OC=O CNP0570369.0 [0,2,0,0,0,0|1,0,1]=4 536 B6R0.1 CCC=C(C)C=O CNP0245615.0 [0,2,0,0,0,0|1,0,0]=3 537 B6R0.1 CCC=C(C)CO CNP0511576.0 [0,2,0,0,0,0|1,0,1]=4 538 B6R0.1 CCCC(=O)C#N CNP0204240.0 [0,2,0,0,0,0|1,0,1]=4 539 B6R0.1 CCCC(=O)C=O CNP0111121.0 [0,2,0,0,0,0|0,0,0]=2 540 B6R0.1 CCCC(=O)CC CNP0248158.0 [0,2,0,0,0,0|1,0,1]=4 541 B6R0.1 CCCC(=O)CO CNP0084314.0 [0,2,0,0,0,0|0,0,2]=4 542 B6R0.1 CCCC(=O)OC CNP0159910.0 [0,2,0,0,0,0|1,0,1]=4 543 B6R0.1 CCCC(=O)SC CNP0084452.0 [0,2,0,0,0,0|1,0,1]=4 544 B6R0.1 CCC[C@@H](C)C=O CNP0370387.1 [0,2,0,0,0,0|1,0,1]=4 545 B6R0.1 CCNC(=O)CC CNP0586892.0 [0,2,0,0,0,0|1,0,1]=4 546 B6R0.1 CCNC(=O)OC CNP0585352.0 [0,2,0,0,0,0|1,0,1]=4 547 B6R0.1 CCOC(=O)C=O CNP0218484.0 [0,2,0,0,0,0|0,0,0]=2 548 B6R0.1 CCOC(=O)CC CNP0169171.0 [0,2,0,0,0,0|1,0,1]=4 549 B6R0.1 CCOC(=O)CI CNP0158474.0 [0,2,0,0,0,0|1,0,1]=4 550 B6R0.1 CCOC(=O)NC CNP0565390.0 [0,2,0,0,0,0|1,0,1]=4 551 B6R0.1 CCSC(=O)CC CNP0265303.0 [0,2,0,0,0,0|1,0,1]=4 552 B6R0.1 CNCC(=O)OC CNP0311286.0 [0,2,0,0,0,0|1,0,1]=4 553 B6R0.1 COC(=O)C#CBr CNP0419364.0 [0,2,0,0,0,0|1,0,1]=4 554 B6R0.1 COC(=O)C=CBr CNP0321764.0 [0,2,0,0,0,0|1,0,0]=3 555 B6R0.1 COC(=O)C=CI CNP0190700.0 [0,2,0,0,0,0|1,0,0]=3 556 B6R0.1 COC(=O)C=NO CNP0235637.0 [0,2,0,0,0,0|0,0,1]=3 557 B6R0.1 COC(=O)CC=O CNP0187576.0 [0,2,0,0,0,0|0,0,0]=2 558 B6R0.1 COC(=O)CSC CNP0189712.0 [0,2,0,0,0,0|0,1,1]=4 559 B6R0.1 COCC(=O)OC CNP0202591.0 [0,2,0,0,0,0|0,0,2]=4 560 B6R0.1 CSC(C)CC=O CNP0002406.0 [0,2,0,0,0,0|0,1,1]=4 561 B6R0.1 NC(C=O)CC=O CNP0515395.0 [0,2,0,0,0,0|1,0,1]=4 562 B6R0.1 O=CC(=O)CCO CNP0294743.0 [0,2,0,0,0,0|0,0,0]=2 563 B6R0.2 C=C(C)CC(=O)C CNP0331918.0 [0,2,0,0,0,0|1,0,0]=3 564 B6R0.2 C=C(N)CC(=O)O CNP0312147.0 [0,2,0,0,0,0|1,0,1]=4 565 B6R0.2 C=C(O)CC(=O)O CNP0082070.0 [0,2,0,0,0,0|0,0,2]=4 566 B6R0.2 CC(=CC(=O)Cl)C CNP0301599.0 [0,2,0,0,0,0|1,0,0]=3 567 B6R0.2 CC(=CC(=O)N)C CNP0186116.0 [0,2,0,0,0,0|1,0,0]=3 568 B6R0.2 CC(=CC(=O)O)C CNP0191929.0 [0,2,0,0,0,0|1,0,0]=3 569 B6R0.2 CC(=CC(=O)O)O CNP0487751.0 [0,2,0,0,0,0|0,0,1]=3 570 B6R0.2 CC(=CC(C)C)C CNP0084966.0 [0,2,0,0,0,0|2,0,0]=4 571 B6R0.2 CC(=C[13C](=O)C)C CNP0541964.0 [0,2,0,0,0,0|1,0,0]=3 572 B6R0.2 CC(=N)CC(=O)C CNP0178786.0 [0,2,0,0,0,0|1,0,0]=3 573 B6R0.2 CC(=N)C[N+](=O)[O-] CNP0571090.0 [0,2,0,0,0,0|1,0,1]=4 574 B6R0.2 CC(=O)C=C(C)C CNP0258331.0 [0,2,0,0,0,0|1,0,0]=3 575 B6R0.2 CC(=O)C=C(C)O CNP0344390.0 [0,2,0,0,0,0|0,0,1]=3 576 B6R0.2 CC(=O)CC(=O)C CNP0267628.0 [0,2,0,0,0,0|0,0,0]=2 577 B6R0.2 CC(=O)CC(=O)N CNP0237689.0 [0,2,0,0,0,0|0,0,0]=2 578 B6R0.2 CC(=O)CC(=O)O CNP0286292.0 [0,2,0,0,0,0|0,0,0]=2 579 B6R0.2 CC(=O)CC(C)C CNP0178924.0 [0,2,0,0,0,0|1,0,1]=4 580 B6R0.2 CC(=O)C[C@@H](C)O CNP0209002.1 [0,2,0,0,0,0|0,0,2]=4 581 B6R0.2 CC(=O)C[C@H](C)O CNP0209002.2 [0,2,0,0,0,0|0,0,2]=4 582 B6R0.2 CC(=O)NC(=N)N CNP0201651.0 [0,2,0,0,0,0|1,0,0]=3 583 B6R0.2 CC(=O)NC(=O)C CNP0582746.0 [0,2,0,0,0,0|0,0,0]=2 584 B6R0.2 CC(=O)NC(=O)N CNP0114939.0 [0,2,0,0,0,0|0,0,0]=2 585 B6R0.2 CC(=O)NC(=S)N CNP0147596.0 [0,2,0,0,0,0|0,1,0]=3 586 B6R0.2 CC(=O)OC(=O)C CNP0296904.0 [0,2,0,0,0,0|0,0,0]=2 587 B6R0.2 CC(=O)OC(C)C CNP0234567.0 [0,2,0,0,0,0|1,0,1]=4 588 B6R0.2 CC(=O)SC(=O)C CNP0165468.0 [0,2,0,0,0,0|0,0,0]=2 589 B6R0.2 CC(=S)OC(=S)C CNP0526914.0 [0,2,0,0,0,0|0,2,0]=4 590 B6R0.2 CC(C)CC(=O)N CNP0512695.0 [0,2,0,0,0,0|1,0,1]=4 591 B6R0.2 CC(C)NC(=O)N CNP0331187.0 [0,2,0,0,0,0|1,0,1]=4 592 B6R0.2 CC(O)CC(=O)N CNP0217857.0 [0,2,0,0,0,0|0,0,2]=4 593 B6R0.2 CN(C)CC(=O)Cl CNP0017846.0 [0,2,0,0,0,0|2,0,0]=4 594 B6R0.2 CN(C)CC(=O)N CNP0045146.0 [0,2,0,0,0,0|2,0,0]=4 595 B6R0.2 CN(C)CC(=O)O CNP0175140.0 [0,2,0,0,0,0|2,0,0]=4 596 B6R0.2 C[C@@H](N)CC(=O)O CNP0287180.2 [0,2,0,0,0,0|1,0,1]=4 597 B6R0.2 C[C@@H](O)CC(=O)O CNP0161860.1 [0,2,0,0,0,0|0,0,2]=4 598 B6R0.2 C[C@H](N)CC(=O)O CNP0287180.1 [0,2,0,0,0,0|1,0,1]=4 599 B6R0.2 C[C@H](O)CC(=O)O CNP0161860.2 [0,2,0,0,0,0|0,0,2]=4 600 B6R0.2 C[C@H]([13CH3])CC(=O)O CNP0175489.1 [0,2,0,0,0,0|1,0,1]=4 601 B6R0.2 C[C](C)CC(=O)O CNP0606523.0 [0,2,0,0,0,0|1,0,1]=4 602 B6R0.2 C[S+](C)CC(=O)O CNP0149325.0 [0,2,0,0,0,0|2,0,0]=4 603 B6R0.2 C[S+](C)CC(=O)[O-] CNP0153505.0 [0,2,0,0,0,0|2,0,0]=4 604 B6R0.2 NC(=O)C=C(Cl)Cl CNP0268623.0 [0,2,0,0,0,0|2,0,0]=4 605 B6R0.2 NC(=O)CC(=O)N CNP0249745.0 [0,2,0,0,0,0|1,0,0]=3 606 B6R0.2 NC(=O)CC(=O)O CNP0514577.0 [0,2,0,0,0,0|1,0,0]=3 607 B6R0.2 NC(=O)NC(=O)O CNP0125227.0 [0,2,0,0,0,0|1,0,0]=3 608 B6R0.2 O=C(Cl)C=C(Br)Br CNP0351146.0 [0,2,0,0,0,0|2,0,0]=4 609 B6R0.2 O=C(Cl)C=C(Cl)Cl CNP0284346.0 [0,2,0,0,0,0|2,0,0]=4 610 B6R0.2 O=C(Cl)CC(=O)Cl CNP0314978.0 [0,2,0,0,0,0|1,0,0]=3 611 B6R0.2 O=C(O)C=C(Br)Br CNP0377910.0 [0,2,0,0,0,0|2,0,0]=4 612 B6R0.2 O=C(O)C=C(Cl)Cl CNP0345285.0 [0,2,0,0,0,0|2,0,0]=4 613 B6R0.2 O=C(O)C=C(I)I CNP0227378.0 [0,2,0,0,0,0|2,0,0]=4 614 B6R0.2 O=C(O)CC(=O)O CNP0327247.0 [0,2,0,0,0,0|1,0,0]=3 615 B6R0.3 C=C(C)C(=O)OC CNP0278102.0 [0,2,0,0,0,0|1,0,0]=3 616 B6R0.3 C=C(CC)C(=O)O CNP0082368.0 [0,2,0,0,0,0|1,0,0]=3 617 B6R0.3 C=C(CN)C(=O)O CNP0223341.0 [0,2,0,0,0,0|1,0,0]=3 618 B6R0.3 C=C(Cl)C(=O)OC CNP0115457.0 [0,2,0,0,0,0|1,0,0]=3 619 B6R0.3 C=C(NC)C(=O)O CNP0542368.0 [0,2,0,0,0,0|1,0,0]=3 620 B6R0.3 C=CC(=O)C(=O)O CNP0593167.0 [0,2,0,0,0,0|0,0,1]=3 621 B6R0.3 C=CC(=O)C(C)C CNP0350661.0 [0,2,0,0,0,0|1,0,0]=3 622 B6R0.3 C=C[C@@H](N)C(=O)O CNP0240520.1 [0,2,0,0,0,0|2,0,0]=4 623 B6R0.3 C=C[C@H](N)C(=O)O CNP0240520.2 [0,2,0,0,0,0|2,0,0]=4 624 B6R0.3 CC(=C(O)C#N)C CNP0141576.0 [0,2,0,0,0,0|1,0,1]=4 625 B6R0.3 CC(=NO)C(=O)O CNP0205729.0 [0,2,0,0,0,0|0,0,1]=3 626 B6R0.3 CC(=O)C(=CBr)Br CNP0164912.0 [0,2,0,0,0,0|1,0,0]=3 627 B6R0.3 CC(=O)C(=NO)C CNP0091192.0 [0,2,0,0,0,0|0,0,1]=3 628 B6R0.3 CC(=O)C(C)C#N CNP0503071.0 [0,2,0,0,0,0|1,0,1]=4 629 B6R0.3 CC(Br)C(=O)CBr CNP0435945.0 [0,2,0,0,0,0|1,0,1]=4 630 B6R0.3 CC(C)C(=O)C#N CNP0344819.0 [0,2,0,0,0,0|1,0,1]=4 631 B6R0.3 CC(C)C(N)C=O CNP0484074.0 [0,2,0,0,0,0|1,0,1]=4 632 B6R0.3 CC(C)C(N)C=O CNP0491546.0 [0,2,0,0,0,0|1,0,1]=4 633 B6R0.3 CC(C)C(N)C=O CNP0498484.0 [0,2,0,0,0,0|1,0,1]=4 634 B6R0.3 CC(O)C(=O)CO CNP0185354.0 [0,2,0,0,0,0|0,0,2]=4 635 B6R0.3 CC=C(C)C(=O)C CNP0119709.0 [0,2,0,0,0,0|1,0,0]=3 636 B6R0.3 CC=C(C)C(=O)N CNP0399229.0 [0,2,0,0,0,0|1,0,0]=3 637 B6R0.3 CC=C(C)C(=O)O CNP0238363.0 [0,2,0,0,0,0|1,0,0]=3 638 B6R0.3 CC=C(N)C(=O)O CNP0146934.0 [0,2,0,0,0,0|1,0,0]=3 639 B6R0.3 CCC(=C(C)C)C CNP0076862.0 [0,2,0,0,0,0|2,0,0]=4 640 B6R0.3 CCC(=O)C(=O)C CNP0311036.0 [0,2,0,0,0,0|0,0,0]=2 641 B6R0.3 CCC(=O)C(=O)O CNP0283357.0 [0,2,0,0,0,0|0,0,0]=2 642 B6R0.3 CCC(=O)C(C)C CNP0169958.0 [0,2,0,0,0,0|1,0,1]=4 643 B6R0.3 CCC(=O)C(C)S CNP0003027.0 [0,2,0,0,0,0|0,1,1]=4 644 B6R0.3 CCC(=O)N(C)C CNP0205998.0 [0,2,0,0,0,0|1,0,1]=4 645 B6R0.3 CCC(=O)[C@H](C)N CNP0316941.1 [0,2,0,0,0,0|1,0,1]=4 646 B6R0.3 CCC(=O)[C@H](C)O CNP0287252.1 [0,2,0,0,0,0|0,0,2]=4 647 B6R0.3 CCC(O)C(=O)C CNP0413470.0 [0,2,0,0,0,0|0,0,2]=4 648 B6R0.3 CCC(S)C(=O)C CNP0064467.0 [0,2,0,0,0,0|0,1,1]=4 649 B6R0.3 CC[C@@H](C)C(=O)C CNP0151175.1 [0,2,0,0,0,0|1,0,1]=4 650 B6R0.3 CC[C@@H](C)C(=O)Cl CNP0146254.2 [0,2,0,0,0,0|1,0,1]=4 651 B6R0.3 CC[C@@H](C)C(=O)N CNP0157695.1 [0,2,0,0,0,0|1,0,1]=4 652 B6R0.3 CC[C@@H](C)C(=O)O CNP0187792.1 [0,2,0,0,0,0|1,0,1]=4 653 B6R0.3 CC[C@@H](N)C(=O)O CNP0243222.1 [0,2,0,0,0,0|1,0,1]=4 654 B6R0.3 CC[C@@H](O)C(=O)C CNP0413470.1 [0,2,0,0,0,0|0,0,2]=4 655 B6R0.3 CC[C@@H](O)C(=O)O CNP0162708.1 [0,2,0,0,0,0|0,0,2]=4 656 B6R0.3 CC[C@H](C)C(=O)C CNP0151175.2 [0,2,0,0,0,0|1,0,1]=4 657 B6R0.3 CC[C@H](C)C(=O)Cl CNP0146254.1 [0,2,0,0,0,0|1,0,1]=4 658 B6R0.3 CC[C@H](C)C(=O)N CNP0157695.2 [0,2,0,0,0,0|1,0,1]=4 659 B6R0.3 CC[C@H](C)C(=O)O CNP0187792.2 [0,2,0,0,0,0|1,0,1]=4 660 B6R0.3 CC[C@H](N)C(=O)O CNP0243222.3 [0,2,0,0,0,0|1,0,1]=4 661 B6R0.3 CC[C@H](O)C(=O)O CNP0162708.2 [0,2,0,0,0,0|0,0,2]=4 662 B6R0.3 CN(C)C(=O)NO CNP0145831.0 [0,2,0,0,0,0|1,0,1]=4 663 B6R0.3 CN(N=O)C(=N)N CNP0292736.0 [0,2,0,0,0,0|2,0,0]=4 664 B6R0.3 CN(N=O)C(=O)N CNP0122422.0 [0,2,0,0,0,0|1,0,0]=3 665 B6R0.3 CNC(=O)C(=O)O CNP0336017.0 [0,2,0,0,0,0|0,0,0]=2 666 B6R0.3 CNC(=O)N(C)C CNP0499080.0 [0,2,0,0,0,0|2,0,0]=4 667 B6R0.3 CN[C@@H](C)C(=O)O CNP0126063.1 [0,2,0,0,0,0|1,0,1]=4 668 B6R0.3 CN[C@H](C)C(=O)O CNP0126063.2 [0,2,0,0,0,0|1,0,1]=4 669 B6R0.3 COC(=O)C(=O)C CNP0301085.0 [0,2,0,0,0,0|0,0,0]=2 670 B6R0.3 COC(=O)C(=O)Cl CNP0247015.0 [0,2,0,0,0,0|0,0,0]=2 671 B6R0.3 COC(=O)C(=O)O CNP0117987.0 [0,2,0,0,0,0|0,0,0]=2 672 B6R0.3 COC(=O)C(Br)Br CNP0192713.0 [0,2,0,0,0,0|1,0,1]=4 673 B6R0.3 COC(=O)C(C)C CNP0354997.0 [0,2,0,0,0,0|1,0,1]=4 674 B6R0.3 COC(=O)[C@@H](C)N CNP0396122.3 [0,2,0,0,0,0|1,0,1]=4 675 B6R0.3 COC(=O)[C@@H](C)O CNP0238296.2 [0,2,0,0,0,0|0,0,2]=4 676 B6R0.3 COC(=O)[C@@H](N)O CNP0142697.1 [0,2,0,0,0,0|0,0,2]=4 677 B6R0.3 COC(=O)[C@H](C)N CNP0396122.2 [0,2,0,0,0,0|1,0,1]=4 678 B6R0.3 COC(=O)[C@H](C)O CNP0238296.1 [0,2,0,0,0,0|0,0,2]=4 679 B6R0.3 CO[C@@H](C)C(=O)C CNP0325332.1 [0,2,0,0,0,0|0,0,2]=4 680 B6R0.3 CSC(C)C(=O)C CNP0075921.0 [0,2,0,0,0,0|0,1,1]=4 681 B6R0.3 C[C@@H](C=O)C(=O)O CNP0083546.1 [0,2,0,0,0,0|0,0,1]=3 682 B6R0.3 C[C@@H](CN)C(=O)O CNP0291505.1 [0,2,0,0,0,0|1,0,1]=4 683 B6R0.3 C[C@@H](CO)C(=O)O CNP0257203.1 [0,2,0,0,0,0|0,0,2]=4 684 B6R0.3 C[C@@H](O)[C@H](N)C=O CNP0119001.1 [0,2,0,0,0,0|0,0,2]=4 685 B6R0.3 C[C@H](CN)C(=O)O CNP0291505.2 [0,2,0,0,0,0|1,0,1]=4 686 B6R0.3 C[C@H](CO)C(=O)O CNP0257203.2 [0,2,0,0,0,0|0,0,2]=4 687 B6R0.3 C[C@H](NO)C(=O)O CNP0221656.1 [0,2,0,0,0,0|0,0,2]=4 688 B6R0.3 NC(=O)[C@@H](N)CS CNP0562682.1 [0,2,0,0,0,0|1,0,1]=4 689 B6R0.3 NC(=O)[C@@H](O)CO CNP0263493.1 [0,2,0,0,0,0|0,0,2]=4 690 B6R0.3 NC[C@@H](N)C(=O)O CNP0403048.1 [0,2,0,0,0,0|1,0,1]=4 691 B6R0.3 NC[C@@H](O)C(=O)O CNP0213687.1 [0,2,0,0,0,0|0,0,2]=4 692 B6R0.3 NC[C@H](N)C(=O)O CNP0403048.2 [0,2,0,0,0,0|1,0,1]=4 693 B6R0.3 N[C@@H](C=O)C(=O)O CNP0082836.1 [0,2,0,0,0,0|1,0,0]=3 694 B6R0.3 N[C@@H](CO)C(=O)O CNP0275512.1 [0,2,0,0,0,0|1,0,1]=4 695 B6R0.3 N[C@@H](CS)C(=O)O CNP0280490.1 [0,2,0,0,0,0|1,0,1]=4 696 B6R0.3 N[C@@H](CS)C(=O)O CNP0543246.1 [0,2,0,0,0,0|1,0,1]=4 697 B6R0.3 N[C@@H](C[SeH])C(=O)O CNP0105616.1 [0,2,0,0,0,0|1,0,1]=4 698 B6R0.3 N[C@@H](C[Se])C(=O)O CNP0539066.1 [0,2,0,0,0,0|1,0,1]=4 699 B6R0.3 N[C@H](CCl)C(=O)O CNP0597943.1 [0,2,0,0,0,0|1,0,1]=4 700 B6R0.3 N[C@H](CO)C(=O)O CNP0275512.2 [0,2,0,0,0,0|1,0,1]=4 701 B6R0.3 N[C@H](CS)C(=O)O CNP0280490.2 [0,2,0,0,0,0|1,0,1]=4 702 B6R0.3 N[C@H](C[SeH])C(=O)O CNP0105616.2 [0,2,0,0,0,0|1,0,1]=4 703 B6R0.3 O=C(CBr)C(Br)Br CNP0156364.0 [0,2,0,0,0,0|1,0,1]=4 704 B6R0.3 O=C(CBr)C(Cl)Cl CNP0175070.0 [0,2,0,0,0,0|1,0,1]=4 705 B6R0.3 O=C(CBr)[C@@H](Cl)Br CNP0199732.1 [0,2,0,0,0,0|1,0,1]=4 706 B6R0.3 O=C(CCl)C(Br)Br CNP0124606.0 [0,2,0,0,0,0|1,0,1]=4 707 B6R0.3 O=C(CCl)C(Cl)Cl CNP0243162.0 [0,2,0,0,0,0|1,0,1]=4 708 B6R0.3 O=C(CCl)[C@H](Cl)Br CNP0320239.1 [0,2,0,0,0,0|1,0,1]=4 709 B6R0.3 O=C(CI)C(Br)Br CNP0231151.0 [0,2,0,0,0,0|1,0,1]=4 710 B6R0.3 O=C(O)C(=CBr)Br CNP0109651.0 [0,2,0,0,0,0|1,0,1]=4 711 B6R0.3 O=C(O)C(=CCl)Cl CNP0278545.0 [0,2,0,0,0,0|1,0,1]=4 712 B6R0.3 O=C(O)C(=CI)I CNP0209094.0 [0,2,0,0,0,0|1,0,1]=4 713 B6R0.3 O=C(O)C(=CO)O CNP0197473.0 [0,2,0,0,0,0|0,0,2]=4 714 B6R0.3 O=C(O)C(=O)CO CNP0343498.0 [0,2,0,0,0,0|0,0,0]=2 715 B6R0.3 O=C(O)C(=O)CS CNP0172399.0 [0,2,0,0,0,0|0,0,0]=2 716 B6R0.3 O=C(O)[C@@H](O)CCl CNP0460792.2 [0,2,0,0,0,0|0,0,2]=4 717 B6R0.3 O=C(O)[C@@H](O)CO CNP0264905.2 [0,2,0,0,0,0|0,0,2]=4 718 B6R0.3 O=C(O)[C@@H](O)CS CNP0083519.1 [0,2,0,0,0,0|0,0,2]=4 719 B6R0.3 O=C(O)[C@H](O)CCl CNP0460792.1 [0,2,0,0,0,0|0,0,2]=4 720 B6R0.3 O=C(O)[C@H](O)CO CNP0264905.1 [0,2,0,0,0,0|0,0,2]=4 721 B6R0.3 O=C([O-])C(=O)CS CNP0525904.0 [0,2,0,0,0,0|0,0,0]=2 722 B6R0.3 O=CC(=O)C(=O)O CNP0106243.0 [0,2,0,0,0,0|0,0,1]=3 723 B6R0.3 O=CC(O)C(=O)O CNP0083603.0 [0,2,0,0,0,0|1,0,0]=3 724 B6R0.3 [C-]#[N+][C@@H](C)C(=O)O CNP0523631.1 [0,2,0,0,0,0|1,0,1]=4 725 B6R0.4 C=CC=CC(=O)O CNP0076475.0 [0,2,0,0,0,0|2,0,0]=4 726 B6R0.4 C=CCCC(=O)C CNP0610109.0 [0,2,0,0,0,0|1,0,0]=3 727 B6R0.4 C=CCCC(=O)N CNP0118917.0 [0,2,0,0,0,0|2,0,0]=4 728 B6R0.4 C=CCCC(=O)O CNP0003359.0 [0,2,0,0,0,0|2,0,0]=4 729 B6R0.4 C=CCOC(=O)C CNP0175648.0 [0,2,0,0,0,0|1,0,0]=3 730 B6R0.4 C=CCSC(=O)C CNP0301401.0 [0,2,0,0,0,0|1,0,0]=3 731 B6R0.4 CC(=CCC=O)C CNP0094675.0 [0,2,0,0,0,0|1,0,0]=3 732 B6R0.4 CC(=CCCN)C CNP0568876.0 [0,2,0,0,0,0|2,0,0]=4 733 B6R0.4 CC(=CCCO)C CNP0410779.0 [0,2,0,0,0,0|1,0,1]=4 734 B6R0.4 CC(=O)CCC=O CNP0261239.0 [0,2,0,0,0,0|0,0,0]=2 735 B6R0.4 CC(=O)NCCN CNP0182526.0 [0,2,0,0,0,0|1,0,1]=4 736 B6R0.4 CC(=O)NCCO CNP0304709.0 [0,2,0,0,0,0|0,0,2]=4 737 B6R0.4 CC(=O)NCCS CNP0516453.0 [0,2,0,0,0,0|0,1,1]=4 738 B6R0.4 CC(=O)OCCI CNP0274212.0 [0,2,0,0,0,0|1,0,1]=4 739 B6R0.4 CC(=O)OCCN CNP0165405.0 [0,2,0,0,0,0|1,0,1]=4 740 B6R0.4 CC(=O)OCCO CNP0589275.0 [0,2,0,0,0,0|0,0,2]=4 741 B6R0.4 CC(C)C=CC=O CNP0003528.0 [0,2,0,0,0,0|1,0,1]=4 742 B6R0.4 CC(C)CCC=O CNP0198082.0 [0,2,0,0,0,0|1,0,1]=4 743 B6R0.4 CC(C)CNC=O CNP0473867.0 [0,2,0,0,0,0|1,0,1]=4 744 B6R0.4 CC(C)COC=O CNP0232692.0 [0,2,0,0,0,0|1,0,1]=4 745 B6R0.4 CC=CC=C(C)C CNP0318303.0 [0,2,0,0,0,0|2,0,0]=4 746 B6R0.4 CC=CCC(=O)O CNP0610144.0 [0,2,0,0,0,0|2,0,0]=4 747 B6R0.4 CCC=CC(=O)C CNP0129352.0 [0,2,0,0,0,0|1,0,0]=3 748 B6R0.4 CCC=CC(=O)O CNP0185292.0 [0,2,0,0,0,0|2,0,0]=4 749 B6R0.4 CCCC=C(C)O CNP0268446.0 [0,2,0,0,0,0|1,0,1]=4 750 B6R0.4 CCCCC(=O)C CNP0194685.0 [0,2,0,0,0,0|1,0,1]=4 751 B6R0.4 CCCNC(=O)C CNP0115400.0 [0,2,0,0,0,0|1,0,1]=4 752 B6R0.4 CCCOC(=O)C CNP0274142.0 [0,2,0,0,0,0|1,0,1]=4 753 B6R0.4 CCCSC(=O)C CNP0076500.0 [0,2,0,0,0,0|1,0,1]=4 754 B6R0.4 COCC=C(C)C CNP0493784.0 [0,2,0,0,0,0|1,0,1]=4 755 B6R0.4 CSC=CC(=O)N CNP0140289.0 [0,2,0,0,0,0|1,1,0]=4 756 B6R0.4 CSC=CC(=O)O CNP0140653.0 [0,2,0,0,0,0|1,1,0]=4 757 B6R0.4 CSCCC(=O)C CNP0353152.0 [0,2,0,0,0,0|0,1,1]=4 758 B6R0.4 CSCSC(=O)C CNP0232862.0 [0,2,0,0,0,0|0,1,1]=4 759 B6R0.4 C[S+](C)CCC=O CNP0136791.0 [0,2,0,0,0,0|2,0,0]=4 760 B6R0.4 N=C(N)NCC=O CNP0478435.0 [0,2,0,0,0,0|2,0,0]=4 761 B6R0.4 N=CNCC(=O)O CNP0218776.0 [0,2,0,0,0,0|2,0,0]=4 762 B6R0.4 NCC=CC(=O)O CNP0250683.0 [0,2,0,0,0,0|2,0,0]=4 763 B6R0.4 O=C(O)C=CCO CNP0097506.0 [0,2,0,0,0,0|1,0,1]=4 764 B6R0.4 O=CCCC(=O)O CNP0318740.0 [0,2,0,0,0,0|1,0,0]=3 765 B6R0.4 O=CNCC(=O)O CNP0082901.0 [0,2,0,0,0,0|1,0,0]=3 766 B6R0.5 C=CCS(=O)(=O)C CNP0075734.0 [0,2,0,0,0,0|2,0,0]=4 767 B6R0.5 CC(C)(C)OC=O CNP0495948.0 [0,2,0,0,0,0|1,0,1]=4 768 B6R0.5 C[N+](C)(C)CC=O CNP0578871.0 [0,2,0,0,0,0|2,0,0]=4 769 B6R0.5 O=CCP(=O)(O)O CNP0261749.0 [0,2,0,0,0,0|2,0,0]=4 770 B6R0.5 O=CCS(=O)(=O)O CNP0314402.0 [0,2,0,0,0,0|2,0,0]=4 771 B6R0.8 CSC(C)(C)C=O CNP0126812.0 [0,2,0,0,0,0|0,1,1]=4 772 B6R0.9 CC=C(C=O)CC CNP0086295.0 [0,2,0,0,0,0|1,0,0]=3 773 B6R0.9 CC=C(CC)CC CNP0246886.0 [0,2,0,0,0,0|2,0,0]=4 774 B6R0.9 CC=C(CC)CO CNP0059417.0 [0,2,0,0,0,0|1,0,1]=4 775 B6R0.9 CCC(C=O)CC CNP0353251.0 [0,2,0,0,0,0|1,0,1]=4 776 B6R0.7 CC(=O)C(Br)(Br)Br CNP0017934.0 [0,2,0,0,0,0|1,0,1]=4 777 B6R0.7 CC(=O)C(C)(C)Br CNP0058151.0 [0,2,0,0,0,0|1,0,1]=4 778 B6R0.7 CC(=O)C(C)(C)O CNP0323322.0 [0,2,0,0,0,0|0,0,2]=4 779 B6R0.7 CC(=O)C(Cl)(Br)Br CNP0075118.0 [0,2,0,0,0,0|1,0,1]=4 780 B6R0.7 CC(C)(C)C(=O)Cl CNP0610070.0 [0,2,0,0,0,0|1,0,1]=4 781 B6R0.7 CC(C)(C)C(=O)O CNP0343251.0 [0,2,0,0,0,0|1,0,1]=4 782 B6R0.7 CC(C)(N)C(=O)O CNP0299823.0 [0,2,0,0,0,0|1,0,1]=4 783 B6R0.7 CC(C)(O)C(=O)O CNP0230065.0 [0,2,0,0,0,0|0,0,2]=4 784 B6R0.7 O=C(O)P(=O)(O)O CNP0366447.0 [0,2,0,0,0,0|2,0,0]=4 785 B4R1.1 C1=COC1 CNP0610072.0 [1,0,0,1,0,0|0,0,1]=3 786 B4R1.2 CC1=CC1 CNP0610335.0 [1,0,0,1,0,0|1,0,0]=3 787 B6R1.2 C=C1C=CCC1 CNP0269204.0 [0,1,0,1,0,0|2,0,0]=4 788 B6R1.2 CC1=CC=CN1 CNP0003130.0 [0,1,0,1,0,0|2,0,0]=4 789 B6R1.2 CC1=CC=CO1 CNP0204821.0 [0,1,0,1,0,0|1,0,1]=4 790 B6R1.2 CC1=CC=CS1 CNP0308280.0 [0,1,0,1,0,0|1,1,0]=4 791 B6R1.2 CC1=CCCC1 CNP0610106.0 [0,1,0,1,0,0|2,0,0]=4 792 B6R1.2 CC1=CCCS1 CNP0003101.0 [0,1,0,1,0,0|1,1,0]=4 793 B6R1.2 CC1=CCOC1 CNP0516552.0 [0,1,0,1,0,0|1,0,1]=4 794 B6R1.2 CC1=CCSS1 CNP0166363.0 [0,1,0,1,0,0|0,2,0]=4 795 B6R1.2 CC1=CN=CN1 CNP0175437.0 [0,1,0,1,0,0|2,0,0]=4 796 B6R1.2 CC1=CN=CS1 CNP0003129.0 [0,1,0,1,0,0|1,1,0]=4 797 B6R1.2 CC1=CN=NS1 CNP0149602.0 [0,1,0,1,0,0|1,1,0]=4 798 B6R1.2 CC1=CNC=C1 CNP0578230.0 [0,1,0,1,0,0|2,0,0]=4 799 B6R1.2 CC1=CNC=N1 CNP0484047.0 [0,1,0,1,0,0|2,0,0]=4 800 B6R1.2 CC1=CNN=C1 CNP0179752.0 [0,1,0,1,0,0|2,0,0]=4 801 B6R1.2 CC1=COC=C1 CNP0401605.0 [0,1,0,1,0,0|1,0,1]=4 802 B6R1.2 CC1=COCC1 CNP0002470.0 [0,1,0,1,0,0|1,0,1]=4 803 B6R1.2 CC1=CSC=C1 CNP0153726.0 [0,1,0,1,0,0|1,1,0]=4 804 B6R1.2 CC1=CSC=N1 CNP0121199.0 [0,1,0,1,0,0|1,1,0]=4 805 B6R1.2 CC1=CSSC1 CNP0310441.0 [0,1,0,1,0,0|0,2,0]=4 806 B6R1.2 CC1=NC=CS1 CNP0611676.0 [0,1,0,1,0,0|1,1,0]=4 807 B6R1.2 CC1=NN=CO1 CNP0610339.0 [0,1,0,1,0,0|2,0,0]=4 808 B6R1.2 O=C1C=CCC1 CNP0122561.0 [0,1,0,1,0,0|1,0,0]=3 809 B6R1.2 O=C1C=CCO1 CNP0253714.0 [0,1,0,1,0,0|1,0,0]=3 810 B6R1.2 O=C1C=CN=N1 CNP0490259.0 [0,1,0,1,0,0|2,0,0]=4 811 B6R1.2 O=C1C=CNO1 CNP0275546.0 [0,1,0,1,0,0|2,0,0]=4 812 B6R1.2 O=C1C=COO1 CNP0482120.0 [0,1,0,1,0,0|1,0,1]=4 813 B6R1.2 O=C1CC=CO1 CNP0494071.0 [0,1,0,1,0,0|1,0,0]=3 814 B6R1.2 O=C1CCCC1 CNP0287963.0 [0,1,0,1,0,0|1,0,1]=4 815 B6R1.2 O=C1CCCN1 CNP0127855.0 [0,1,0,1,0,0|1,0,1]=4 816 B6R1.2 O=C1CCCO1 CNP0315299.0 [0,1,0,1,0,0|1,0,1]=4 817 B6R1.2 O=C1CCCS1 CNP0084584.0 [0,1,0,1,0,0|1,0,1]=4 818 B6R1.2 O=C1CCNN1 CNP0035182.0 [0,1,0,1,0,0|2,0,0]=4 819 B6R1.2 O=C1CCOC1 CNP0051503.0 [0,1,0,1,0,0|0,0,2]=4 820 B6R1.2 O=C1CCON1 CNP0325381.0 [0,1,0,1,0,0|1,0,1]=4 821 B6R1.2 O=C1CCSC1 CNP0003522.0 [0,1,0,1,0,0|0,1,1]=4 822 B6R1.2 O=C1CN=CN1 CNP0321519.0 [0,1,0,1,0,0|1,0,0]=3 823 B6R1.2 O=C1NCCO1 CNP0064744.0 [0,1,0,1,0,0|2,0,0]=4 824 B6R1.2 O=C1OC=CO1 CNP0585701.0 [0,1,0,1,0,0|2,0,0]=4 825 B6R1.5 C[C@H]1CC(=O)O1 CNP0232064.1 [0,1,0,1,0,0|0,0,2]=4 826 B6R1.5 O=C1C[C@@H](O1)O CNP0300715.1 [0,1,0,1,0,0|0,0,2]=4 827 B6R1.8 O=C1C=C1CO CNP0214079.0 [0,1,0,1,0,0|1,0,0]=3 828 B6R1.8 O=C1CC1CO CNP0073765.0 [0,1,0,1,0,0|0,0,2]=4 829 B6R1.4 C[C@@H]1CCC1=O CNP0253900.1 [0,1,0,1,0,0|1,0,1]=4 830 B6R1.12 C=C1C(=O)[C@@H]1O CNP0264596.1 [0,1,0,1,0,0|1,0,0]=3