0 B4R0.1 C#CC(=C)C CNP0599820.0 [0,0,0,0,0,0|1,0,2]=3 1 B4R0.1 C#CC(=O)N CNP0485881.0 [0,0,0,0,0,0|1,0,2]=3 2 B4R0.1 C#CC(=O)O CNP0579203.0 [0,0,0,0,0,0|1,0,2]=3 3 B4R0.1 C#CC(C)C CNP0586699.0 [0,0,0,0,0,0|1,0,3]=4 4 B4R0.1 C=C(Br)CO CNP0506207.0 [0,0,0,0,0,0|2,0,1]=3 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|2,0,1]=3 7 B4R0.1 C=C(C)CC CNP0605035.0 [0,0,0,0,0,0|1,0,0]=1 8 B4R0.1 C=C(C)CO CNP0505353.0 [0,0,0,0,0,0|2,0,0]=2 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|1,0,3]=4 12 B4R0.1 C=CC(=C)C CNP0489519.0 [0,0,0,0,0,0|1,0,2]=3 13 B4R0.1 C=CC(=N)N CNP0498731.0 [0,0,0,0,0,0|2,0,2]=4 14 B4R0.1 C=CC(=O)C CNP0571315.0 [0,0,0,0,0,0|0,0,2]=2 15 B4R0.1 C=CC(=O)Cl CNP0569586.0 [0,0,0,0,0,0|1,0,2]=3 16 B4R0.1 C=CC(=O)N CNP0574606.0 [0,0,0,0,0,0|1,0,2]=3 17 B4R0.1 C=CC(=O)O CNP0590547.0 [0,0,0,0,0,0|1,0,2]=3 18 B4R0.1 C=CC(=O)[O-] CNP0528918.0 [0,0,0,0,0,0|1,0,2]=3 19 B4R0.1 C=CC(C)C CNP0589769.0 [0,0,0,0,0,0|1,0,3]=4 20 B4R0.1 C=C[C@@H](C)O CNP0512445.2 [0,0,0,0,0,0|0,0,4]=4 21 B4R0.1 C=C[C@H](C)O CNP0512445.1 [0,0,0,0,0,0|0,0,4]=4 22 B4R0.1 CC(=NO)C CNP0591673.0 [0,0,0,0,0,0|3,0,0]=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|1,0,1]=2 25 B4R0.1 CC(=O)CBr CNP0602861.0 [0,0,0,0,0,0|1,0,0]=1 26 B4R0.1 CC(=O)CI CNP0515381.0 [0,0,0,0,0,0|1,0,0]=1 27 B4R0.1 CC(=O)CN CNP0602829.0 [0,0,0,0,0,0|1,0,0]=1 28 B4R0.1 CC(=O)CO CNP0487266.0 [0,0,0,0,0,0|1,0,0]=1 29 B4R0.1 CC(=O)CS CNP0514893.0 [0,0,0,0,0,0|1,0,0]=1 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|2,0,0]=2 33 B4R0.1 CC(=O)OO CNP0491052.0 [0,0,0,0,0,0|2,0,0]=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|2,0,2]=4 36 B4R0.1 CC(C)C=[17O] CNP0484940.0 [0,0,0,0,0,0|2,0,2]=4 37 B4R0.1 CC(C)CN CNP0490050.0 [0,0,0,0,0,0|2,0,1]=3 38 B4R0.1 CC(C)CO CNP0493868.0 [0,0,0,0,0,0|2,0,1]=3 39 B4R0.1 CC(C)CS CNP0494383.0 [0,0,0,0,0,0|2,0,1]=3 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|2,0,2]=4 42 B4R0.1 CC(N)CN CNP0579261.0 [0,0,0,0,0,0|2,0,1]=3 43 B4R0.1 CC(S)CS CNP0488983.0 [0,0,0,0,0,0|1,1,1]=3 44 B4R0.1 CC=C(C)C CNP0502707.0 [0,0,0,0,0,0|1,0,1]=2 45 B4R0.1 CCC(=N)S CNP0544659.0 [0,0,0,0,0,0|1,1,0]=2 46 B4R0.1 CCC(=O)Br CNP0583620.0 [0,0,0,0,0,0|1,0,0]=1 47 B4R0.1 CCC(=O)C CNP0486447.0 [0,0,0,0,0,0|0,0,0]=0 48 B4R0.1 CCC(=O)Cl CNP0502198.0 [0,0,0,0,0,0|1,0,0]=1 49 B4R0.1 CCC(=O)I CNP0549008.0 [0,0,0,0,0,0|1,0,0]=1 50 B4R0.1 CCC(=O)N CNP0512752.0 [0,0,0,0,0,0|1,0,0]=1 51 B4R0.1 CCC(=O)O CNP0572679.0 [0,0,0,0,0,0|1,0,0]=1 52 B4R0.1 CCC(=O)[O-] CNP0505645.0 [0,0,0,0,0,0|1,0,0]=1 53 B4R0.1 CCC(=O)[O-] CNP0584211.0 [0,0,0,0,0,0|1,0,0]=1 54 B4R0.1 CCC(=O)[O-] CNP0604604.0 [0,0,0,0,0,0|1,0,0]=1 55 B4R0.1 CCC(C)C CNP0492867.0 [0,0,0,0,0,0|1,0,1]=2 56 B4R0.1 CCC(C)N CNP0520467.0 [0,0,0,0,0,0|1,0,1]=2 57 B4R0.1 CCC(O)O CNP0533578.0 [0,0,0,0,0,0|1,0,2]=3 58 B4R0.1 CCC(O)S CNP0612126.0 [0,0,0,0,0,0|1,0,2]=3 59 B4R0.1 CC[C@@H](C)O CNP0577352.1 [0,0,0,0,0,0|0,0,2]=2 60 B4R0.1 CC[C@@H](C)S CNP0572211.1 [0,0,0,0,0,0|0,1,1]=2 61 B4R0.1 CC[C@H](C)O CNP0577352.2 [0,0,0,0,0,0|0,0,2]=2 62 B4R0.1 CN(C)C=O CNP0566193.0 [0,0,0,0,0,0|3,0,1]=4 63 B4R0.1 CN(C)C=S CNP0516551.0 [0,0,0,0,0,0|3,0,1]=4 64 B4R0.1 CN(C)N=O CNP0503536.0 [0,0,0,0,0,0|4,0,0]=4 65 B4R0.1 CN(N)C=O CNP0593819.0 [0,0,0,0,0,0|3,0,1]=4 66 B4R0.1 CN(O)C=S CNP0483835.0 [0,0,0,0,0,0|2,0,2]=4 67 B4R0.1 CN=C(N)N CNP0588415.0 [0,0,0,0,0,0|3,0,0]=3 68 B4R0.1 CNC(=N)N CNP0590894.0 [0,0,0,0,0,0|3,0,0]=3 69 B4R0.1 CNC(=O)C CNP0491397.0 [0,0,0,0,0,0|1,0,0]=1 70 B4R0.1 CNC(=O)N CNP0576116.0 [0,0,0,0,0,0|2,0,0]=2 71 B4R0.1 CNC(=O)O CNP0594440.0 [0,0,0,0,0,0|2,0,0]=2 72 B4R0.1 CNC(=S)N CNP0572685.0 [0,0,0,0,0,0|2,1,0]=3 73 B4R0.1 CNC(=S)S CNP0524147.0 [0,0,0,0,0,0|2,1,0]=3 74 B4R0.1 CNC(C)C CNP0489071.0 [0,0,0,0,0,0|2,0,1]=3 75 B4R0.1 COC(=O)C CNP0578880.0 [0,0,0,0,0,0|1,0,0]=1 76 B4R0.1 COC(=O)N CNP0575874.0 [0,0,0,0,0,0|2,0,0]=2 77 B4R0.1 CSC(=N)N CNP0572889.0 [0,0,0,0,0,0|3,0,0]=3 78 B4R0.1 CSC(=O)C CNP0491622.0 [0,0,0,0,0,0|1,0,0]=1 79 B4R0.1 CSC(C)C CNP0486491.0 [0,0,0,0,0,0|2,0,1]=3 80 B4R0.1 CSC(C)S CNP0497634.0 [0,0,0,0,0,0|1,1,1]=3 81 B4R0.1 CS[S@@+](C)[O-] CNP0525842.1 [0,0,0,0,0,0|2,0,1]=3 82 B4R0.1 CS[S@@H+](C)[O-] CNP0579172.1 [0,0,0,0,0,0|2,0,1]=3 83 B4R0.1 C[C@@H](Cl)CCl CNP0573757.1 [0,0,0,0,0,0|2,0,1]=3 84 B4R0.1 C[C@@H](N)CO CNP0589695.1 [0,0,0,0,0,0|2,0,1]=3 85 B4R0.1 C[C@@H](O)C#N CNP0491457.1 [0,0,0,0,0,0|1,0,3]=4 86 B4R0.1 C[C@@H](O)C=O CNP0482941.1 [0,0,0,0,0,0|1,0,3]=4 87 B4R0.1 C[C@@H](O)CO CNP0522839.2 [0,0,0,0,0,0|1,0,2]=3 88 B4R0.1 C[C@H](N)CO CNP0589695.2 [0,0,0,0,0,0|2,0,1]=3 89 B4R0.1 C[C@H](O)C=O CNP0482941.2 [0,0,0,0,0,0|1,0,3]=4 90 B4R0.1 C[C@H](O)CBr CNP0593715.1 [0,0,0,0,0,0|1,0,2]=3 91 B4R0.1 C[C@H](O)CN CNP0571248.1 [0,0,0,0,0,0|1,0,2]=3 92 B4R0.1 C[C@H](O)CO CNP0522839.1 [0,0,0,0,0,0|1,0,2]=3 93 B4R0.1 C[C](C)C=O CNP0568847.0 [0,0,0,0,0,0|2,0,2]=4 94 B4R0.1 ClC=C(Cl)Cl CNP0539983.0 [0,0,0,0,0,0|3,0,1]=4 95 B4R0.1 ClCC(Cl)Cl CNP0506621.0 [0,0,0,0,0,0|3,0,1]=4 96 B4R0.1 N=C(N)NN CNP0538712.0 [0,0,0,0,0,0|4,0,0]=4 97 B4R0.1 N=C(N)NO CNP0496900.0 [0,0,0,0,0,0|4,0,0]=4 98 B4R0.1 N=CC(=O)O CNP0521453.0 [0,0,0,0,0,0|2,0,1]=3 99 B4R0.1 NC(=O)CCl CNP0572781.0 [0,0,0,0,0,0|2,0,0]=2 100 B4R0.1 NC(=O)CI CNP0573172.0 [0,0,0,0,0,0|2,0,0]=2 101 B4R0.1 NC(=O)CO CNP0610142.0 [0,0,0,0,0,0|2,0,0]=2 102 B4R0.1 NC(=O)NO CNP0593192.0 [0,0,0,0,0,0|3,0,0]=3 103 B4R0.1 NCC(=O)N CNP0542212.0 [0,0,0,0,0,0|2,0,0]=2 104 B4R0.1 NCC(=O)O CNP0563879.0 [0,0,0,0,0,0|2,0,0]=2 105 B4R0.1 NCC(=O)[O] CNP0605168.0 [0,0,0,0,0,0|2,0,0]=2 106 B4R0.1 NN=C(N)N CNP0609058.0 [0,0,0,0,0,0|4,0,0]=4 107 B4R0.1 NNC(=S)N CNP0493193.0 [0,0,0,0,0,0|3,1,0]=4 108 B4R0.1 O=C(Cl)CCl CNP0491057.0 [0,0,0,0,0,0|2,0,0]=2 109 B4R0.1 O=C(Cl)CI CNP0533753.0 [0,0,0,0,0,0|2,0,0]=2 110 B4R0.1 O=C(Cl)SCl CNP0604698.0 [0,0,0,0,0,0|3,0,0]=3 111 B4R0.1 O=C(O)CBr CNP0605480.0 [0,0,0,0,0,0|2,0,0]=2 112 B4R0.1 O=C(O)CCl CNP0514898.0 [0,0,0,0,0,0|2,0,0]=2 113 B4R0.1 O=C(O)CI CNP0542117.0 [0,0,0,0,0,0|2,0,0]=2 114 B4R0.1 O=C(O)CO CNP0564020.0 [0,0,0,0,0,0|2,0,0]=2 115 B4R0.1 O=C(O)CS CNP0502399.0 [0,0,0,0,0,0|2,0,0]=2 116 B4R0.1 O=CC(=O)O CNP0571230.0 [0,0,0,0,0,0|2,0,1]=3 117 B4R0.1 O=N[N+](=O)[O-] CNP0609066.0 [0,0,0,0,0,0|4,0,0]=4 118 B4R0.1 O=[N+]([O-])O[Ag] CNP0571678.0 [0,0,0,0,0,0|4,0,0]=4 119 B4R0.1 OCC(Cl)Cl CNP0479097.0 [0,0,0,0,0,0|3,0,1]=4 120 B4R0.1 O[C@@H](Cl)CBr CNP0538567.1 [0,0,0,0,0,0|2,0,2]=4 121 B3R0.1 BrCCBr CNP0591557.0 [1,0,0,0,0,0|2,0,1]=4 122 B3R0.1 BrCCI CNP0495630.0 [1,0,0,0,0,0|2,0,1]=4 123 B3R0.1 C#CC=O CNP0511000.0 [1,0,0,0,0,0|0,0,2]=3 124 B3R0.1 C#CCC CNP0509561.0 [1,0,0,0,0,0|0,0,2]=3 125 B3R0.1 C#CCO CNP0488604.0 [1,0,0,0,0,0|1,0,2]=4 126 B3R0.1 C#[N+]CC CNP0559170.0 [1,0,0,0,0,0|1,0,1]=3 127 B3R0.1 C=C=CBr CNP0595246.0 [1,0,0,0,0,0|1,0,2]=4 128 B3R0.1 C=C=CC CNP0584937.0 [1,0,0,0,0,0|0,0,2]=3 129 B3R0.1 C=CC#N CNP0580732.0 [1,0,0,0,0,0|1,0,2]=4 130 B3R0.1 C=CC=C CNP0574781.0 [1,0,0,0,0,0|0,0,3]=4 131 B3R0.1 C=CC=O CNP0603221.0 [1,0,0,0,0,0|0,0,2]=3 132 B3R0.1 C=CC=S CNP0501678.0 [1,0,0,0,0,0|0,1,2]=4 133 B3R0.1 C=CCC CNP0490956.0 [1,0,0,0,0,0|0,0,1]=2 134 B3R0.1 C=CCN CNP0585503.0 [1,0,0,0,0,0|1,0,1]=3 135 B3R0.1 C=CCO CNP0561492.0 [1,0,0,0,0,0|1,0,1]=3 136 B3R0.1 C=CCS CNP0575677.0 [1,0,0,0,0,0|1,0,1]=3 137 B3R0.1 C=COC CNP0611794.0 [1,0,0,0,0,0|1,0,1]=3 138 B3R0.1 CC#CC CNP0556029.0 [1,0,0,0,0,0|0,0,2]=3 139 B3R0.1 CC=CBr CNP0509639.0 [1,0,0,0,0,0|1,0,1]=3 140 B3R0.1 CC=CC CNP0597271.0 [1,0,0,0,0,0|0,0,1]=2 141 B3R0.1 CC=CS CNP0589530.0 [1,0,0,0,0,0|0,1,1]=3 142 B3R0.1 CC=NO CNP0512137.0 [1,0,0,0,0,0|2,0,0]=3 143 B3R0.1 CC=[N+]=[N-] CNP0532727.0 [1,0,0,0,0,0|2,0,0]=3 144 B3R0.1 CCC#N CNP0564998.0 [1,0,0,0,0,0|1,0,1]=3 145 B3R0.1 CCC=O CNP0570013.0 [1,0,0,0,0,0|0,0,0]=1 146 B3R0.1 CCC=S CNP0546828.0 [1,0,0,0,0,0|0,1,0]=2 147 B3R0.1 CCCBr CNP0561445.0 [1,0,0,0,0,0|1,0,1]=3 148 B3R0.1 CCCC CNP0597736.0 [1,0,0,0,0,0|0,0,1]=2 149 B3R0.1 CCCI CNP0596010.0 [1,0,0,0,0,0|1,0,1]=3 150 B3R0.1 CCCN CNP0600530.0 [1,0,0,0,0,0|1,0,1]=3 151 B3R0.1 CCCO CNP0605151.0 [1,0,0,0,0,0|0,0,2]=3 152 B3R0.1 CCCS CNP0572992.0 [1,0,0,0,0,0|0,1,1]=3 153 B3R0.1 CCN=O CNP0552947.0 [1,0,0,0,0,0|1,0,0]=2 154 B3R0.1 CCNC CNP0563252.0 [1,0,0,0,0,0|1,0,0]=2 155 B3R0.1 CCOC CNP0484105.0 [1,0,0,0,0,0|1,0,0]=2 156 B3R0.1 CCOO CNP0591807.0 [1,0,0,0,0,0|1,0,1]=3 157 B3R0.1 CCSC CNP0596541.0 [1,0,0,0,0,0|1,0,0]=2 158 B3R0.1 CCSO CNP0559716.0 [1,0,0,0,0,0|1,0,1]=3 159 B3R0.1 CN=C=O CNP0542197.0 [1,0,0,0,0,0|1,0,1]=3 160 B3R0.1 CN=C=S CNP0601890.0 [1,0,0,0,0,0|1,1,1]=4 161 B3R0.1 CNC=O CNP0565671.0 [1,0,0,0,0,0|1,0,0]=2 162 B3R0.1 CNNC CNP0493834.0 [1,0,0,0,0,0|2,0,0]=3 163 B3R0.1 COC=O CNP0494242.0 [1,0,0,0,0,0|1,0,0]=2 164 B3R0.1 COOC CNP0610139.0 [1,0,0,0,0,0|2,0,0]=3 165 B3R0.1 CSC#N CNP0493602.0 [1,0,0,0,0,0|2,0,1]=4 166 B3R0.1 CSSC CNP0600942.0 [1,0,0,0,0,0|2,0,0]=3 167 B3R0.1 C[Se][Se]C CNP0508246.0 [1,0,0,0,0,0|2,0,0]=3 168 B3R0.1 ClC=CCl CNP0610334.0 [1,0,0,0,0,0|2,0,1]=4 169 B3R0.1 ClCCBr CNP0493040.0 [1,0,0,0,0,0|2,0,1]=4 170 B3R0.1 ClCCCl CNP0592018.0 [1,0,0,0,0,0|2,0,1]=4 171 B3R0.1 N#CCI CNP0547629.0 [1,0,0,0,0,0|2,0,1]=4 172 B3R0.1 N#CCS CNP0566385.0 [1,0,0,0,0,0|2,0,1]=4 173 B3R0.1 N=CCN CNP0547283.0 [1,0,0,0,0,0|2,0,0]=3 174 B3R0.1 NC=CS CNP0577276.0 [1,0,0,0,0,0|1,1,1]=4 175 B3R0.1 NCC=O CNP0566697.0 [1,0,0,0,0,0|1,0,0]=2 176 B3R0.1 NCCN CNP0531974.0 [1,0,0,0,0,0|2,0,1]=4 177 B3R0.1 NCCO CNP0581653.0 [1,0,0,0,0,0|1,0,2]=4 178 B3R0.1 NCCS CNP0490978.0 [1,0,0,0,0,0|1,1,1]=4 179 B3R0.1 NCC[O] CNP0586934.0 [1,0,0,0,0,0|1,0,2]=4 180 B3R0.1 NNC=O CNP0501881.0 [1,0,0,0,0,0|2,0,0]=3 181 B3R0.1 O=BOO CNP0541096.0 [1,0,0,0,0,0|3,0,0]=4 182 B3R0.1 O=CC=O CNP0605189.0 [1,0,0,0,0,0|1,0,1]=3 183 B3R0.1 O=CCBr CNP0516788.0 [1,0,0,0,0,0|1,0,0]=2 184 B3R0.1 O=CCO CNP0600524.0 [1,0,0,0,0,0|1,0,0]=2 185 B3R0.1 O=CCS CNP0591045.0 [1,0,0,0,0,0|1,0,0]=2 186 B3R0.1 O=NOO CNP0508221.0 [1,0,0,0,0,0|3,0,0]=4 187 B3R0.1 OC=CO CNP0508859.0 [1,0,0,0,0,0|1,0,2]=4 188 B3R0.1 OCCCl CNP0532317.0 [1,0,0,0,0,0|1,0,2]=4 189 B3R0.1 OCCI CNP0489668.0 [1,0,0,0,0,0|1,0,2]=4 190 B3R0.1 OCCO CNP0484938.0 [1,0,0,0,0,0|1,0,2]=4 191 B3R0.1 OCCS CNP0576505.0 [1,0,0,0,0,0|1,0,2]=4 192 B3R0.1 SCCS CNP0506336.0 [1,0,0,0,0,0|1,1,1]=4 193 B3R0.2 C=C(C)C CNP0512482.0 [1,0,0,0,0,0|1,0,0]=2 194 B3R0.2 C=C(C)O CNP0514997.0 [1,0,0,0,0,0|0,0,2]=3 195 B3R0.2 C=C(Cl)Cl CNP0573882.0 [1,0,0,0,0,0|2,0,1]=4 196 B3R0.2 CC(=N)S CNP0537692.0 [1,0,0,0,0,0|1,1,0]=3 197 B3R0.2 CC(=O)C CNP0572494.0 [1,0,0,0,0,0|0,0,0]=1 198 B3R0.2 CC(=O)Cl CNP0537278.0 [1,0,0,0,0,0|1,0,0]=2 199 B3R0.2 CC(=O)N CNP0570171.0 [1,0,0,0,0,0|1,0,0]=2 200 B3R0.2 CC(=O)O CNP0495539.0 [1,0,0,0,0,0|1,0,0]=2 201 B3R0.2 CC(=O)[O-] CNP0505268.0 [1,0,0,0,0,0|1,0,0]=2 202 B3R0.2 CC(=S)N CNP0579768.0 [1,0,0,0,0,0|1,1,0]=3 203 B3R0.2 CC(C)C CNP0580677.0 [1,0,0,0,0,0|1,0,1]=3 204 B3R0.2 CC(C)I CNP0515098.0 [1,0,0,0,0,0|1,0,1]=3 205 B3R0.2 CC(C)N CNP0574231.0 [1,0,0,0,0,0|1,0,1]=3 206 B3R0.2 CC(C)O CNP0603430.0 [1,0,0,0,0,0|0,0,2]=3 207 B3R0.2 CC(C)S CNP0483016.0 [1,0,0,0,0,0|0,1,1]=3 208 B3R0.2 CN(C)C CNP0522907.0 [1,0,0,0,0,0|2,0,0]=3 209 B3R0.2 CN(C)N CNP0573264.0 [1,0,0,0,0,0|2,0,0]=3 210 B3R0.2 CP(=O)O CNP0480086.0 [1,0,0,0,0,0|2,0,0]=3 211 B3R0.2 CP(C)C CNP0586622.0 [1,0,0,0,0,0|2,0,0]=3 212 B3R0.2 CS(=S)O CNP0609306.0 [1,0,0,0,0,0|2,0,1]=4 213 B3R0.2 C[As](C)C CNP0539997.0 [1,0,0,0,0,0|2,0,0]=3 214 B3R0.2 C[As](C)O CNP0541907.0 [1,0,0,0,0,0|1,0,1]=3 215 B3R0.2 C[As](O)O CNP0579708.0 [1,0,0,0,0,0|2,0,1]=4 216 B3R0.2 C[N+](=N)[O-] CNP0532542.0 [1,0,0,0,0,0|2,0,1]=4 217 B3R0.2 C[S+](C)C CNP0555694.0 [1,0,0,0,0,0|2,0,0]=3 218 B3R0.2 C[S+](C)[O-] CNP0499675.0 [1,0,0,0,0,0|1,0,1]=3 219 B3R0.2 C[Se+](C)C CNP0504179.0 [1,0,0,0,0,0|2,0,0]=3 220 B3R0.2 C[SeH2](=[Se])C CNP0610734.0 [1,0,0,0,0,0|1,1,0]=3 221 B3R0.2 C[SeH](C)[SeH] CNP0608908.0 [1,0,0,0,0,0|1,1,0]=3 222 B3R0.2 C[Se](=O)O CNP0501647.0 [1,0,0,0,0,0|2,0,0]=3 223 B3R0.2 N=C(N)N CNP0564001.0 [1,0,0,0,0,0|3,0,0]=4 224 B3R0.2 N=C(N)S CNP0589508.0 [1,0,0,0,0,0|2,1,0]=4 225 B3R0.2 N=C(S)S CNP0522891.0 [1,0,0,0,0,0|2,1,0]=4 226 B3R0.2 NC(=O)N CNP0520286.0 [1,0,0,0,0,0|2,0,0]=3 227 B3R0.2 NC(=O)O CNP0575336.0 [1,0,0,0,0,0|2,0,0]=3 228 B3R0.2 NC(=S)N CNP0599742.0 [1,0,0,0,0,0|2,1,0]=4 229 B3R0.2 NC(=S)S CNP0574797.0 [1,0,0,0,0,0|2,1,0]=4 230 B3R0.2 N[14C](=O)N CNP0600423.0 [1,0,0,0,0,0|2,0,0]=3 231 B3R0.2 O=C(O)O CNP0491655.0 [1,0,0,0,0,0|2,0,0]=3 232 B3R0.2 O=C(O)P CNP0562466.0 [1,0,0,0,0,0|2,0,0]=3 233 B3R0.2 O=P(O)O CNP0517495.0 [1,0,0,0,0,0|3,0,0]=4 234 B3R0.2 O=S(=O)O CNP0578309.0 [1,0,0,0,0,0|3,0,0]=4 235 B3R0.2 O=S(O)O CNP0520227.0 [1,0,0,0,0,0|3,0,0]=4 236 B3R0.2 O=[Mo+6](O)O CNP0512146.0 [1,0,0,0,0,0|3,0,0]=4 237 B3R0.2 O=[Mo](=O)S CNP0576700.0 [1,0,0,0,0,0|3,0,0]=4 238 B3R0.2 O=[N+]([O-])O CNP0534371.0 [1,0,0,0,0,0|3,0,0]=4 239 B3R0.2 O=[Se](O)O CNP0605088.0 [1,0,0,0,0,0|3,0,0]=4 240 B3R0.2 O=[Si](O)O CNP0567325.0 [1,0,0,0,0,0|2,1,0]=4 241 B3R0.2 [CH2]C(C)C CNP0571096.0 [1,0,0,0,0,0|1,0,1]=3 242 B5R0.1 C#CCC(=O)O CNP0049385.0 [0,1,0,0,0,0|1,0,1]=3 243 B5R0.1 C=C(Br)CCO CNP0595001.0 [0,1,0,0,0,0|1,0,1]=3 244 B5R0.1 C=C(C)C=CC CNP0348667.0 [0,1,0,0,0,0|1,0,1]=3 245 B5R0.1 C=C(C)CCC CNP0179329.0 [0,1,0,0,0,0|1,0,0]=2 246 B5R0.1 C=C(C)CCO CNP0285127.0 [0,1,0,0,0,0|1,0,0]=2 247 B5R0.1 C=C(O)CCC CNP0003382.0 [0,1,0,0,0,0|0,0,2]=3 248 B5R0.1 C=C([CH2-])CC#[O+] CNP0507131.0 [0,1,0,0,0,0|1,0,2]=4 249 B5R0.1 C=CC=C(C)C CNP0130651.0 [0,1,0,0,0,0|1,0,2]=4 250 B5R0.1 C=CCC(=O)C CNP0385825.0 [0,1,0,0,0,0|0,0,1]=2 251 B5R0.1 C=CCC(=O)N CNP0292806.0 [0,1,0,0,0,0|1,0,1]=3 252 B5R0.1 C=CCC(=O)O CNP0172155.0 [0,1,0,0,0,0|1,0,1]=3 253 B5R0.1 C=CCC(C)C CNP0293683.0 [0,1,0,0,0,0|1,0,2]=4 254 B5R0.1 C=CCC(C)O CNP0594112.0 [0,1,0,0,0,0|0,0,3]=4 255 B5R0.1 C=CC[S@+](C)[O-] CNP0483153.2 [0,1,0,0,0,0|1,0,2]=4 256 B5R0.1 C=CC[S@@+](C)[O-] CNP0483153.1 [0,1,0,0,0,0|1,0,2]=4 257 B5R0.1 C=COC(=O)C CNP0003526.0 [0,1,0,0,0,0|0,0,2]=3 258 B5R0.1 CC(=CC#N)C CNP0294715.0 [0,1,0,0,0,0|1,0,2]=4 259 B5R0.1 CC(=CC=O)C CNP0325416.0 [0,1,0,0,0,0|1,0,2]=4 260 B5R0.1 CC(=CCO)C CNP0241702.0 [0,1,0,0,0,0|1,0,1]=3 261 B5R0.1 CC(=CCS)C CNP0262600.0 [0,1,0,0,0,0|1,0,1]=3 262 B5R0.1 CC(=O)C=NO CNP0397193.0 [0,1,0,0,0,0|1,0,1]=3 263 B5R0.1 CC(=O)CCO CNP0251527.0 [0,1,0,0,0,0|0,0,0]=1 264 B5R0.1 CC(=O)CCS CNP0404753.0 [0,1,0,0,0,0|0,0,0]=1 265 B5R0.1 CC(=O)OCS CNP0547679.0 [0,1,0,0,0,0|1,0,0]=2 266 B5R0.1 CC(C)CC#N CNP0003467.0 [0,1,0,0,0,0|1,0,2]=4 267 B5R0.1 CC(C)CC=O CNP0200023.0 [0,1,0,0,0,0|1,0,2]=4 268 B5R0.1 CC(C)CCN CNP0107663.0 [0,1,0,0,0,0|1,0,1]=3 269 B5R0.1 CC(C)CCO CNP0115711.0 [0,1,0,0,0,0|1,0,1]=3 270 B5R0.1 CC(C)CCS CNP0222694.0 [0,1,0,0,0,0|1,0,1]=3 271 B5R0.1 CC(C)CNO CNP0343206.0 [0,1,0,0,0,0|2,0,1]=4 272 B5R0.1 CC(O)CCS CNP0002409.0 [0,1,0,0,0,0|0,0,2]=3 273 B5R0.1 CC(S)CCS CNP0003105.0 [0,1,0,0,0,0|0,1,1]=3 274 B5R0.1 CC=CC(=N)S CNP0609462.0 [0,1,0,0,0,0|1,1,1]=4 275 B5R0.1 CC=CC(=O)C CNP0158055.0 [0,1,0,0,0,0|0,0,1]=2 276 B5R0.1 CC=CC(=O)Cl CNP0018733.0 [0,1,0,0,0,0|1,0,1]=3 277 B5R0.1 CC=CC(=O)N CNP0376163.0 [0,1,0,0,0,0|1,0,1]=3 278 B5R0.1 CC=CC(=O)O CNP0379669.0 [0,1,0,0,0,0|1,0,1]=3 279 B5R0.1 CC=CC(=O)S CNP0128183.0 [0,1,0,0,0,0|1,0,1]=3 280 B5R0.1 CC=CC(=S)N CNP0219494.0 [0,1,0,0,0,0|1,1,1]=4 281 B5R0.1 CC=CC(C)C CNP0513218.0 [0,1,0,0,0,0|1,0,2]=4 282 B5R0.1 CC=CC(C)O CNP0150168.0 [0,1,0,0,0,0|0,0,3]=4 283 B5R0.1 CCC=C(C)C CNP0331653.0 [0,1,0,0,0,0|1,0,0]=2 284 B5R0.1 CCC=C(C)O CNP0225775.0 [0,1,0,0,0,0|0,0,1]=2 285 B5R0.1 CCCC(=O)C CNP0169448.0 [0,1,0,0,0,0|0,0,0]=1 286 B5R0.1 CCCC(=O)N CNP0115101.0 [0,1,0,0,0,0|1,0,0]=2 287 B5R0.1 CCCC(=O)O CNP0259447.0 [0,1,0,0,0,0|1,0,0]=2 288 B5R0.1 CCCC(=O)[O-] CNP0521413.0 [0,1,0,0,0,0|1,0,0]=2 289 B5R0.1 CCCC(C)C CNP0319065.0 [0,1,0,0,0,0|1,0,1]=3 290 B5R0.1 CCCC(C)S CNP0029638.0 [0,1,0,0,0,0|0,1,1]=3 291 B5R0.1 CCCC(O)O CNP0076336.0 [0,1,0,0,0,0|1,0,2]=4 292 B5R0.1 CCCS(=S)O CNP0558357.0 [0,1,0,0,0,0|2,0,1]=4 293 B5R0.1 CCC[C@@H](C)O CNP0287976.1 [0,1,0,0,0,0|0,0,2]=3 294 B5R0.1 CCC[C@H](C)O CNP0287976.2 [0,1,0,0,0,0|0,0,2]=3 295 B5R0.1 CCNC(=O)C CNP0260078.0 [0,1,0,0,0,0|0,0,0]=1 296 B5R0.1 CCNC(=S)N CNP0415621.0 [0,1,0,0,0,0|1,1,0]=3 297 B5R0.1 CCOC(=O)C CNP0322418.0 [0,1,0,0,0,0|0,0,0]=1 298 B5R0.1 CCOC(=O)N CNP0336700.0 [0,1,0,0,0,0|1,0,0]=2 299 B5R0.1 CCOC(=O)O CNP0166515.0 [0,1,0,0,0,0|1,0,0]=2 300 B5R0.1 CCOC(C)C CNP0604172.0 [0,1,0,0,0,0|1,0,1]=3 301 B5R0.1 CCO[13C](=O)C CNP0577601.0 [0,1,0,0,0,0|0,0,0]=1 302 B5R0.1 CCSC(=N)N CNP0528738.0 [0,1,0,0,0,0|2,0,0]=3 303 B5R0.1 CCSC(=O)C CNP0274861.0 [0,1,0,0,0,0|0,0,0]=1 304 B5R0.1 CCSC(C)C CNP0254931.0 [0,1,0,0,0,0|1,0,1]=3 305 B5R0.1 CCSC(C)S CNP0579398.0 [0,1,0,0,0,0|0,1,1]=3 306 B5R0.1 CC[Se]C(=N)N CNP0601350.0 [0,1,0,0,0,0|2,0,0]=3 307 B5R0.1 CN(C)CC#N CNP0084986.0 [0,1,0,0,0,0|2,0,1]=4 308 B5R0.1 CN(C)CCCl CNP0328789.0 [0,1,0,0,0,0|2,0,0]=3 309 B5R0.1 CN(C)CCO CNP0230038.0 [0,1,0,0,0,0|2,0,0]=3 310 B5R0.1 CN=CC(C)C CNP0149349.0 [0,1,0,0,0,0|1,0,2]=4 311 B5R0.1 CNCC(=O)O CNP0307073.0 [0,1,0,0,0,0|1,0,0]=2 312 B5R0.1 CNCC(=O)O CNP0563704.0 [0,1,0,0,0,0|1,0,0]=2 313 B5R0.1 CNCC(=O)[O-] CNP0565920.0 [0,1,0,0,0,0|1,0,0]=2 314 B5R0.1 CNCC(C)C CNP0273998.0 [0,1,0,0,0,0|1,0,1]=3 315 B5R0.1 COCC(=O)C CNP0581024.0 [0,1,0,0,0,0|0,0,0]=1 316 B5R0.1 COCC(=O)O CNP0343219.0 [0,1,0,0,0,0|1,0,0]=2 317 B5R0.1 COCC(C)C CNP0528468.0 [0,1,0,0,0,0|1,0,1]=3 318 B5R0.1 CSCC(=O)C CNP0002513.0 [0,1,0,0,0,0|0,0,0]=1 319 B5R0.1 CSCC(=O)O CNP0447839.0 [0,1,0,0,0,0|1,0,0]=2 320 B5R0.1 CSCC(C)C CNP0405087.0 [0,1,0,0,0,0|1,0,1]=3 321 B5R0.1 CSC[S@+](C)[O-] CNP0604118.1 [0,1,0,0,0,0|1,0,1]=3 322 B5R0.1 CSSC(C)C CNP0267830.0 [0,1,0,0,0,0|2,0,1]=4 323 B5R0.1 C[C@@H](O)CC#N CNP0115714.1 [0,1,0,0,0,0|0,0,3]=4 324 B5R0.1 C[C@@H](O)CC=O CNP0197470.1 [0,1,0,0,0,0|0,0,3]=4 325 B5R0.1 C[C@@H](O)CCO CNP0110972.2 [0,1,0,0,0,0|0,0,2]=3 326 B5R0.1 C[C@H](O)CCO CNP0110972.1 [0,1,0,0,0,0|0,0,2]=3 327 B5R0.1 C[N+](=NCO)[O-] CNP0075707.0 [0,1,0,0,0,0|2,0,1]=4 328 B5R0.1 C[Se]CC(=O)O CNP0526449.0 [0,1,0,0,0,0|1,0,0]=2 329 B5R0.1 C[Te]CC(=O)O CNP0537189.0 [0,1,0,0,0,0|1,0,0]=2 330 B5R0.1 N#CCC(=O)N CNP0086390.0 [0,1,0,0,0,0|1,0,1]=3 331 B5R0.1 N#CCC(=O)O CNP0269115.0 [0,1,0,0,0,0|1,0,1]=3 332 B5R0.1 NC(=O)C=CI CNP0204270.0 [0,1,0,0,0,0|1,0,2]=4 333 B5R0.1 NCCC(=O)O CNP0226336.0 [0,1,0,0,0,0|1,0,0]=2 334 B5R0.1 NCCP(=O)O CNP0498602.0 [0,1,0,0,0,0|2,0,0]=3 335 B5R0.1 NCC[S@@](=O)O CNP0211926.2 [0,1,0,0,0,0|2,0,0]=3 336 B5R0.1 NCC[S@](=O)O CNP0211926.1 [0,1,0,0,0,0|2,0,0]=3 337 B5R0.1 NCNC(=O)N CNP0046326.0 [0,1,0,0,0,0|2,0,0]=3 338 B5R0.1 NOCC(=O)O CNP0293826.0 [0,1,0,0,0,0|2,0,0]=3 339 B5R0.1 O=C(O)C=CBr CNP0310992.0 [0,1,0,0,0,0|1,0,2]=4 340 B5R0.1 O=C(O)C=CCl CNP0293481.0 [0,1,0,0,0,0|1,0,2]=4 341 B5R0.1 O=C(O)C=CI CNP0239582.0 [0,1,0,0,0,0|1,0,2]=4 342 B5R0.1 O=C(O)C=NO CNP0286362.0 [0,1,0,0,0,0|2,0,1]=4 343 B5R0.1 O=C(O)CCO CNP0228379.0 [0,1,0,0,0,0|1,0,0]=2 344 B5R0.1 O=C(O)CCS CNP0097385.0 [0,1,0,0,0,0|1,0,0]=2 345 B5R0.1 O=C(O)CNO CNP0316873.0 [0,1,0,0,0,0|2,0,0]=3 346 B5R0.1 O=CCC(=O)O CNP0149091.0 [0,1,0,0,0,0|1,0,1]=3 347 B5R0.1 O=[N+]([O-])CCO CNP0479078.0 [0,1,0,0,0,0|2,0,0]=3 348 B5R0.1 [C-]#[N+]CC(=O)O CNP0534475.0 [0,1,0,0,0,0|1,0,1]=3 349 B5R0.3 C#CC(=O)OC CNP0572702.0 [0,1,0,0,0,0|0,0,2]=3 350 B5R0.3 C=C(C#N)CC CNP0541651.0 [0,1,0,0,0,0|1,0,1]=3 351 B5R0.3 C=C(C=O)CC CNP0542605.0 [0,1,0,0,0,0|0,0,1]=2 352 B5R0.3 C=CC(=CC)C CNP0134384.0 [0,1,0,0,0,0|1,0,1]=3 353 B5R0.3 C=CC(=O)CC CNP0362181.0 [0,1,0,0,0,0|0,0,1]=2 354 B5R0.3 C=CC(=O)OC CNP0217866.0 [0,1,0,0,0,0|0,0,2]=3 355 B5R0.3 C=C[C@@H](O)CC CNP0331558.1 [0,1,0,0,0,0|0,0,3]=4 356 B5R0.3 C=C[C@H](C)CO CNP0600503.1 [0,1,0,0,0,0|2,0,1]=4 357 B5R0.3 C=C[C@H](O)CC CNP0331558.2 [0,1,0,0,0,0|0,0,3]=4 358 B5R0.3 CC(=NO)CO CNP0284253.0 [0,1,0,0,0,0|1,0,1]=3 359 B5R0.3 CC(CO)CO CNP0282467.0 [0,1,0,0,0,0|1,0,2]=4 360 B5R0.3 CC=C(C)C=O CNP0281160.0 [0,1,0,0,0,0|0,0,1]=2 361 B5R0.3 CC=C(C)CC CNP0247687.0 [0,1,0,0,0,0|1,0,0]=2 362 B5R0.3 CC=C(C)CO CNP0120418.0 [0,1,0,0,0,0|0,0,2]=3 363 B5R0.3 CCC(=CS)C CNP0025997.0 [0,1,0,0,0,0|0,1,0]=2 364 B5R0.3 CCC(=O)C=O CNP0301331.0 [0,1,0,0,0,0|0,0,1]=2 365 B5R0.3 CCC(=O)CC CNP0270305.0 [0,1,0,0,0,0|0,0,0]=1 366 B5R0.3 CCC(=O)CO CNP0165007.0 [0,1,0,0,0,0|0,0,0]=1 367 B5R0.3 CCC(=O)NN CNP0281170.0 [0,1,0,0,0,0|1,0,0]=2 368 B5R0.3 CCC(=O)OC CNP0166631.0 [0,1,0,0,0,0|0,0,0]=1 369 B5R0.3 CCC(=O)SC CNP0240172.0 [0,1,0,0,0,0|0,0,0]=1 370 B5R0.3 CCC(C)CC CNP0316485.0 [0,1,0,0,0,0|1,0,1]=3 371 B5R0.3 CCC(C)CS CNP0003009.0 [0,1,0,0,0,0|0,1,1]=3 372 B5R0.3 CCC(N)CC CNP0103985.0 [0,1,0,0,0,0|1,0,1]=3 373 B5R0.3 CCC(N)NC CNP0278870.0 [0,1,0,0,0,0|1,0,1]=3 374 B5R0.3 CCC(O)CC CNP0293075.0 [0,1,0,0,0,0|0,0,2]=3 375 B5R0.3 CCC(O)CCl CNP0366953.0 [0,1,0,0,0,0|0,0,2]=3 376 B5R0.3 CCC(O)CO CNP0534149.0 [0,1,0,0,0,0|0,0,2]=3 377 B5R0.3 CCC(S)CS CNP0197461.0 [0,1,0,0,0,0|0,1,1]=3 378 B5R0.3 CCC(S)SC CNP0609154.0 [0,1,0,0,0,0|0,1,1]=3 379 B5R0.3 CC[C@@H](C)C=O CNP0220551.2 [0,1,0,0,0,0|0,0,1]=2 380 B5R0.3 CC[C@@H](C)CO CNP0185673.1 [0,1,0,0,0,0|0,0,2]=3 381 B5R0.3 CC[C@H](C)C#N CNP0343114.1 [0,1,0,0,0,0|1,0,1]=3 382 B5R0.3 CC[C@H](C)C=O CNP0220551.1 [0,1,0,0,0,0|0,0,1]=2 383 B5R0.3 CC[C@H](C)CN CNP0233909.1 [0,1,0,0,0,0|1,0,1]=3 384 B5R0.3 CC[C@H](C)CO CNP0185673.2 [0,1,0,0,0,0|0,0,2]=3 385 B5R0.3 CC[C@H](C)NC CNP0236959.1 [0,1,0,0,0,0|1,0,1]=3 386 B5R0.3 CC[S+](C)CC CNP0038064.0 [0,1,0,0,0,0|2,0,0]=3 387 B5R0.3 CC[S](C)CC CNP0523180.0 [0,1,0,0,0,0|2,0,0]=3 388 B5R0.3 CN(C=O)CO CNP0412364.0 [0,1,0,0,0,0|2,0,0]=3 389 B5R0.3 CNC(=N)NC CNP0404528.0 [0,1,0,0,0,0|2,0,0]=3 390 B5R0.3 CNC(=O)NC CNP0028412.0 [0,1,0,0,0,0|1,0,0]=2 391 B5R0.3 CNC(=O)OC CNP0483114.0 [0,1,0,0,0,0|1,0,0]=2 392 B5R0.3 COC(=O)CI CNP0017842.0 [0,1,0,0,0,0|1,0,0]=2 393 B5R0.3 COC(=O)NN CNP0033099.0 [0,1,0,0,0,0|2,0,0]=3 394 B5R0.3 COC(C)CO CNP0485411.0 [0,1,0,0,0,0|1,0,2]=4 395 B5R0.3 COC(C)OC CNP0122626.0 [0,1,0,0,0,0|1,0,2]=4 396 B5R0.3 CSC(C)SC CNP0610569.0 [0,1,0,0,0,0|1,1,1]=4 397 B5R0.3 ClCC(Cl)CCl CNP0159084.0 [0,1,0,0,0,0|2,0,1]=4 398 B5R0.3 N#CC(=O)C#N CNP0604126.0 [0,1,0,0,0,0|1,0,2]=4 399 B5R0.3 NC(CO)CO CNP0535001.0 [0,1,0,0,0,0|2,0,1]=4 400 B5R0.3 NCC(=O)NO CNP0470573.0 [0,1,0,0,0,0|2,0,0]=3 401 B5R0.3 O=C(CBr)CBr CNP0132836.0 [0,1,0,0,0,0|1,0,0]=2 402 B5R0.3 O=C(CBr)CI CNP0145168.0 [0,1,0,0,0,0|1,0,0]=2 403 B5R0.3 O=C(CCl)CBr CNP0149884.0 [0,1,0,0,0,0|1,0,0]=2 404 B5R0.3 O=C(CCl)CCl CNP0301990.0 [0,1,0,0,0,0|1,0,0]=2 405 B5R0.3 O=C(CCl)CI CNP0408833.0 [0,1,0,0,0,0|1,0,0]=2 406 B5R0.3 O=C(CO)CCl CNP0281226.0 [0,1,0,0,0,0|1,0,0]=2 407 B5R0.3 O=C(CO)CO CNP0303926.0 [0,1,0,0,0,0|1,0,0]=2 408 B5R0.3 O=CC(=CO)O CNP0278717.0 [0,1,0,0,0,0|2,0,1]=4 409 B5R0.3 O=C[C@H](O)CO CNP0359959.1 [0,1,0,0,0,0|2,0,1]=4 410 B5R0.3 OC(CBr)CBr CNP0017512.0 [0,1,0,0,0,0|1,0,2]=4 411 B5R0.3 OC(CCl)CCl CNP0294183.0 [0,1,0,0,0,0|1,0,2]=4 412 B5R0.3 OC(CI)CI CNP0161531.0 [0,1,0,0,0,0|1,0,2]=4 413 B5R0.3 OC(CP)CP CNP0345632.0 [0,1,0,0,0,0|1,0,2]=4 414 B5R0.3 OCC(O)CCl CNP0334066.0 [0,1,0,0,0,0|1,0,2]=4 415 B5R0.3 OCC(O)CO CNP0259986.0 [0,1,0,0,0,0|1,0,2]=4 416 B5R0.3 OC[C@@H](O)CS CNP0570311.1 [0,1,0,0,0,0|1,0,2]=4 417 B5R0.3 OC[C@@H](S)CS CNP0341544.1 [0,1,0,0,0,0|1,1,1]=4 418 B5R0.3 OC[C@H](O)CI CNP0103876.1 [0,1,0,0,0,0|1,0,2]=4 419 B5R0.3 OC[C@H](S)CS CNP0341544.2 [0,1,0,0,0,0|1,1,1]=4 420 B5R0.3 O[C@@H](CCl)CI CNP0018029.1 [0,1,0,0,0,0|1,0,2]=4 421 B5R0.3 PCC(P)CP CNP0345634.0 [0,1,0,0,0,0|2,0,1]=4 422 B5R0.3 [O]CC(=O)CCl CNP0505790.0 [0,1,0,0,0,0|1,0,0]=2 423 B5R0.4 CC(C)(O)CN CNP0332905.0 [0,1,0,0,0,0|1,0,2]=4 424 B5R0.4 CC(C)(O)CO CNP0307478.0 [0,1,0,0,0,0|1,0,2]=4 425 B5R0.4 CC(C)(S)CS CNP0258725.0 [0,1,0,0,0,0|1,1,1]=4 426 B5R0.4 CCC(C)(C)C CNP0113159.0 [0,1,0,0,0,0|1,0,1]=3 427 B5R0.4 CCC(C)(C)I CNP0076730.0 [0,1,0,0,0,0|1,0,1]=3 428 B5R0.4 CCC(C)(C)N CNP0083061.0 [0,1,0,0,0,0|1,0,1]=3 429 B5R0.4 CCC(C)(C)O CNP0239239.0 [0,1,0,0,0,0|0,0,2]=3 430 B5R0.4 CCP(=O)(O)O CNP0534713.0 [0,1,0,0,0,0|2,0,0]=3 431 B5R0.4 CCS(=O)(=O)O CNP0440629.0 [0,1,0,0,0,0|2,0,0]=3 432 B5R0.4 CC[Si](C)(C)C CNP0572818.0 [0,1,0,0,0,0|1,1,0]=3 433 B5R0.4 COC(C)(C)C CNP0379426.0 [0,1,0,0,0,0|2,0,1]=4 434 B5R0.4 COP(=O)(O)O CNP0100207.0 [0,1,0,0,0,0|3,0,0]=4 435 B5R0.4 COS(=O)(=O)C CNP0336702.0 [0,1,0,0,0,0|2,0,0]=3 436 B5R0.4 CO[As](=O)(C)C CNP0017834.0 [0,1,0,0,0,0|2,0,0]=3 437 B5R0.4 CP(=O)(C)CO CNP0140331.0 [0,1,0,0,0,0|2,0,0]=3 438 B5R0.4 CSS(=O)(=O)C CNP0305173.0 [0,1,0,0,0,0|2,0,0]=3 439 B5R0.4 O=P(O)(O)CO CNP0297464.0 [0,1,0,0,0,0|3,0,0]=4 440 B5R0.4 O=P(O)(O)CS CNP0479695.0 [0,1,0,0,0,0|3,0,0]=4 441 B5R0.4 O=S(=O)(O)CO CNP0319937.0 [0,1,0,0,0,0|3,0,0]=4 442 B5R0.5 C=C(C)C(=C)C CNP0186706.0 [0,1,0,0,0,0|1,0,1]=3 443 B5R0.5 C=C(C)C(=O)C CNP0137327.0 [0,1,0,0,0,0|0,0,1]=2 444 B5R0.5 C=C(C)C(=O)Cl CNP0281632.0 [0,1,0,0,0,0|1,0,1]=3 445 B5R0.5 C=C(C)C(=O)N CNP0186369.0 [0,1,0,0,0,0|1,0,1]=3 446 B5R0.5 C=C(C)C(=O)O CNP0147624.0 [0,1,0,0,0,0|1,0,1]=3 447 B5R0.5 C=C(C)[C@@H](C)O CNP0221154.1 [0,1,0,0,0,0|1,0,0]=2 448 B5R0.5 C=C(C)[C@H](C)O CNP0221154.2 [0,1,0,0,0,0|1,0,0]=2 449 B5R0.5 C=C(Cl)C(=O)Cl CNP0018136.0 [0,1,0,0,0,0|1,0,2]=4 450 B5R0.5 C=C(Cl)C(=O)N CNP0229491.0 [0,1,0,0,0,0|1,0,2]=4 451 B5R0.5 C=C(Cl)C(=O)O CNP0239649.0 [0,1,0,0,0,0|1,0,2]=4 452 B5R0.5 C=C(N)C(=O)N CNP0591175.0 [0,1,0,0,0,0|1,0,2]=4 453 B5R0.5 C=C(N)C(=O)O CNP0224979.0 [0,1,0,0,0,0|1,0,2]=4 454 B5R0.5 C=C(O)C(=O)O CNP0422136.0 [0,1,0,0,0,0|1,0,2]=4 455 B5R0.5 C=C(O)C(C)C CNP0150035.0 [0,1,0,0,0,0|0,0,2]=3 456 B5R0.5 CC(=C(C)C)C CNP0192659.0 [0,1,0,0,0,0|1,0,1]=3 457 B5R0.5 CC(=C(C)O)C CNP0164530.0 [0,1,0,0,0,0|0,0,2]=3 458 B5R0.5 CC(=N)C(=O)O CNP0556238.0 [0,1,0,0,0,0|1,0,1]=3 459 B5R0.5 CC(=O)C(=O)C CNP0153215.0 [0,1,0,0,0,0|0,0,1]=2 460 B5R0.5 CC(=O)C(=O)N CNP0289593.0 [0,1,0,0,0,0|1,0,1]=3 461 B5R0.5 CC(=O)C(=O)O CNP0269827.0 [0,1,0,0,0,0|1,0,1]=3 462 B5R0.5 CC(=O)C(Br)Br CNP0186139.0 [0,1,0,0,0,0|1,0,0]=2 463 B5R0.5 CC(=O)C(C)C CNP0209504.0 [0,1,0,0,0,0|0,0,0]=1 464 B5R0.5 CC(=O)C(C)S CNP0409589.0 [0,1,0,0,0,0|0,0,0]=1 465 B5R0.5 CC(=O)C(O)O CNP0547141.0 [0,1,0,0,0,0|1,0,0]=2 466 B5R0.5 CC(=O)N(C)C CNP0083052.0 [0,1,0,0,0,0|1,0,0]=2 467 B5R0.5 CC(=O)[C@@H](C)O CNP0395416.2 [0,1,0,0,0,0|0,0,0]=1 468 B5R0.5 CC(=O)[C@H](C)O CNP0395416.1 [0,1,0,0,0,0|0,0,0]=1 469 B5R0.5 CC(C)C(=O)Cl CNP0337045.0 [0,1,0,0,0,0|1,0,0]=2 470 B5R0.5 CC(C)C(=O)N CNP0226996.0 [0,1,0,0,0,0|1,0,0]=2 471 B5R0.5 CC(C)C(=O)O CNP0197560.0 [0,1,0,0,0,0|1,0,0]=2 472 B5R0.5 CC(C)C(C)C CNP0183010.0 [0,1,0,0,0,0|1,0,1]=3 473 B5R0.5 CC(C)N(C)C CNP0419243.0 [0,1,0,0,0,0|2,0,0]=3 474 B5R0.5 CC(C)[C@@H](C)N CNP0573557.1 [0,1,0,0,0,0|1,0,1]=3 475 B5R0.5 CC(C)[C@@H](C)O CNP0315380.1 [0,1,0,0,0,0|0,0,2]=3 476 B5R0.5 CC(C)[C@@H](C)S CNP0316317.1 [0,1,0,0,0,0|0,1,1]=3 477 B5R0.5 CC(C)[C@H](C)O CNP0315380.2 [0,1,0,0,0,0|0,0,2]=3 478 B5R0.5 CC(C)[N+](=O)[O-] CNP0587963.0 [0,1,0,0,0,0|2,0,0]=3 479 B5R0.5 CC(O)C(=O)[O-] CNP0519619.0 [0,1,0,0,0,0|1,0,0]=2 480 B5R0.5 CC(O)C(=O)[O-] CNP0556254.0 [0,1,0,0,0,0|1,0,0]=2 481 B5R0.5 CC(O)C(=O)[O-] CNP0561690.0 [0,1,0,0,0,0|1,0,0]=2 482 B5R0.5 CC(O)C(=O)[O-] CNP0579849.0 [0,1,0,0,0,0|1,0,0]=2 483 B5R0.5 CC(O)C(=O)[O-] CNP0592207.0 [0,1,0,0,0,0|1,0,0]=2 484 B5R0.5 CC(O)C(C)S CNP0002511.0 [0,1,0,0,0,0|0,0,2]=3 485 B5R0.5 CC(S)C(C)S CNP0003531.0 [0,1,0,0,0,0|0,1,1]=3 486 B5R0.5 CN(C)C(=N)N CNP0155822.0 [0,1,0,0,0,0|3,0,0]=4 487 B5R0.5 CN(C)C(=S)S CNP0033815.0 [0,1,0,0,0,0|2,1,0]=4 488 B5R0.5 C[C@@H](N)C(=O)O CNP0313085.2 [0,1,0,0,0,0|1,0,0]=2 489 B5R0.5 C[C@@H](O)C(=O)O CNP0232038.2 [0,1,0,0,0,0|1,0,0]=2 490 B5R0.5 C[C@@H](O)[C@@H](C)O CNP0115674.2 [0,1,0,0,0,0|0,0,2]=3 491 B5R0.5 C[C@H](N)C(=O)O CNP0313085.1 [0,1,0,0,0,0|1,0,0]=2 492 B5R0.5 C[C@H](O)C(=O)O CNP0232038.1 [0,1,0,0,0,0|1,0,0]=2 493 B5R0.5 C[C@H](O)C(Br)Br CNP0106114.1 [0,1,0,0,0,0|1,0,2]=4 494 B5R0.5 C[C@H](O)[C@@H](C)O CNP0115674.1 [0,1,0,0,0,0|0,0,2]=3 495 B5R0.5 C[C@H](O)[C@H](C)O CNP0115674.3 [0,1,0,0,0,0|0,0,2]=3 496 B5R0.5 C[C@H](S)C(=O)O CNP0223404.1 [0,1,0,0,0,0|1,0,0]=2 497 B5R0.5 NC(=O)C(=O)N CNP0365298.0 [0,1,0,0,0,0|2,0,1]=4 498 B5R0.5 NC(=O)C(=O)O CNP0300477.0 [0,1,0,0,0,0|2,0,1]=4 499 B5R0.5 NC(=O)C(Br)Br CNP0017791.0 [0,1,0,0,0,0|2,0,0]=3 500 B5R0.5 NC(=O)C(Cl)Cl CNP0516271.0 [0,1,0,0,0,0|2,0,0]=3 501 B5R0.5 NC(=O)C(I)I CNP0182681.0 [0,1,0,0,0,0|2,0,0]=3 502 B5R0.5 NC(=O)[C@@H](Cl)I CNP0321983.1 [0,1,0,0,0,0|2,0,0]=3 503 B5R0.5 N[C@H](O)C(=O)O CNP0294076.1 [0,1,0,0,0,0|2,0,0]=3 504 B5R0.5 O=C(Br)C(=O)Br CNP0244658.0 [0,1,0,0,0,0|2,0,1]=4 505 B5R0.5 O=C(O)C(=O)O CNP0235859.0 [0,1,0,0,0,0|2,0,1]=4 506 B5R0.5 O=C(O)C(Br)Br CNP0111357.0 [0,1,0,0,0,0|2,0,0]=3 507 B5R0.5 O=C(O)C(Cl)Cl CNP0151680.0 [0,1,0,0,0,0|2,0,0]=3 508 B5R0.5 O=C(O)C(I)I CNP0320084.0 [0,1,0,0,0,0|2,0,0]=3 509 B5R0.5 O=C(O)C(O)O CNP0603869.0 [0,1,0,0,0,0|2,0,0]=3 510 B5R0.5 O=C(O)[C@@H](Cl)Br CNP0017815.1 [0,1,0,0,0,0|2,0,0]=3 511 B5R0.5 O=C(O)[C@@H](Cl)I CNP0145949.2 [0,1,0,0,0,0|2,0,0]=3 512 B5R0.5 O=C(O)[C@H](Br)I CNP0246601.1 [0,1,0,0,0,0|2,0,0]=3 513 B5R0.5 O=C(O)[C@H](Cl)I CNP0145949.1 [0,1,0,0,0,0|2,0,0]=3 514 B5R0.5 O=[13C](O)[13C](=O)O CNP0502595.0 [0,1,0,0,0,0|2,0,1]=4 515 B5R1.2 CC1CCC1 CNP0546383.0 [0,0,0,1,0,0|1,0,1]=3 516 B5R1.2 NC1CCC1 CNP0609061.0 [0,0,0,1,0,0|1,0,1]=3 517 B5R1.2 O=C1CCO1 CNP0555602.0 [0,0,0,1,0,0|1,0,0]=2 518 B5R1.2 OC1CCC1 CNP0562500.0 [0,0,0,1,0,0|0,0,2]=3 519 B5R1.2 [O-][S+]1CCC1 CNP0520919.0 [0,0,0,1,0,0|1,0,1]=3 520 B5R1.3 CC=C1CC1 CNP0594561.0 [0,0,0,1,0,0|1,0,1]=3 521 B5R1.3 ClC[C@@H]1CO1 CNP0569559.2 [0,0,0,1,0,0|1,0,2]=4 522 B5R1.3 ClC[C@H]1CO1 CNP0569559.1 [0,0,0,1,0,0|1,0,2]=4 523 B5R1.3 OCC1CC1 CNP0604045.0 [0,0,0,1,0,0|2,0,1]=4 524 B5R1.3 OCC1CO1 CNP0517243.0 [0,0,0,1,0,0|1,0,2]=4 525 B5R1.4 CC1OC1C CNP0609093.0 [0,0,0,1,0,0|0,0,2]=3 526 B5R1.4 C[C@@H]1S[C@@H]1C CNP0577092.1 [0,0,0,1,0,0|0,1,1]=3 527 B5R1.5 CC1(CO1)C CNP0494243.0 [0,0,0,1,0,0|2,0,1]=4 528 B2R0.1 BrCBr CNP0494232.0 [2,0,0,0,0,0|2,0,0]=4 529 B2R0.1 BrCI CNP0594254.0 [2,0,0,0,0,0|2,0,0]=4 530 B2R0.1 C=CBr CNP0609063.0 [2,0,0,0,0,0|1,0,1]=4 531 B2R0.1 C=CC CNP0522895.0 [2,0,0,0,0,0|0,0,1]=3 532 B2R0.1 C=CO CNP0606787.0 [2,0,0,0,0,0|0,0,2]=4 533 B2R0.1 C=C[O] CNP0584213.0 [2,0,0,0,0,0|0,0,2]=4 534 B2R0.1 C=NO CNP0573273.0 [2,0,0,0,0,0|2,0,0]=4 535 B2R0.1 C=[N+]=[N-] CNP0484380.0 [2,0,0,0,0,0|2,0,0]=4 536 B2R0.1 CC#N CNP0510997.0 [2,0,0,0,0,0|1,0,1]=4 537 B2R0.1 CC=O CNP0566693.0 [2,0,0,0,0,0|0,0,0]=2 538 B2R0.1 CCBr CNP0511569.0 [2,0,0,0,0,0|1,0,0]=3 539 B2R0.1 CCC CNP0529348.0 [2,0,0,0,0,0|0,0,0]=2 540 B2R0.1 CCCl CNP0605324.0 [2,0,0,0,0,0|1,0,0]=3 541 B2R0.1 CCI CNP0562236.0 [2,0,0,0,0,0|1,0,0]=3 542 B2R0.1 CCN CNP0561286.0 [2,0,0,0,0,0|1,0,0]=3 543 B2R0.1 CCO CNP0546367.0 [2,0,0,0,0,0|0,0,1]=3 544 B2R0.1 CCS CNP0491795.0 [2,0,0,0,0,0|0,1,0]=3 545 B2R0.1 CN=N CNP0513298.0 [2,0,0,0,0,0|2,0,0]=4 546 B2R0.1 CNC CNP0491602.0 [2,0,0,0,0,0|1,0,0]=3 547 B2R0.1 CNN CNP0609070.0 [2,0,0,0,0,0|2,0,0]=4 548 B2R0.1 COC CNP0580850.0 [2,0,0,0,0,0|1,0,0]=3 549 B2R0.1 CON CNP0566773.0 [2,0,0,0,0,0|2,0,0]=4 550 B2R0.1 CPC CNP0528872.0 [2,0,0,0,0,0|1,0,0]=3 551 B2R0.1 CSC CNP0569922.0 [2,0,0,0,0,0|1,0,0]=3 552 B2R0.1 CSS CNP0611991.0 [2,0,0,0,0,0|1,1,0]=4 553 B2R0.1 C[C]=O CNP0538355.0 [2,0,0,0,0,0|0,0,1]=3 554 B2R0.1 C[C]O CNP0601692.0 [2,0,0,0,0,0|0,0,2]=4 555 B2R0.1 C[Se]C CNP0500399.0 [2,0,0,0,0,0|1,0,0]=3 556 B2R0.1 C[Te]C CNP0483858.0 [2,0,0,0,0,0|1,0,0]=3 557 B2R0.1 ClCBr CNP0528283.0 [2,0,0,0,0,0|2,0,0]=4 558 B2R0.1 ClCCl CNP0529345.0 [2,0,0,0,0,0|2,0,0]=4 559 B2R0.1 ClCI CNP0600514.0 [2,0,0,0,0,0|2,0,0]=4 560 B2R0.1 ICI CNP0526769.0 [2,0,0,0,0,0|2,0,0]=4 561 B2R0.1 N=C=O CNP0504564.0 [2,0,0,0,0,0|1,0,1]=4 562 B2R0.1 NC=O CNP0569834.0 [2,0,0,0,0,0|1,0,0]=3 563 B2R0.1 NN=O CNP0610110.0 [2,0,0,0,0,0|2,0,0]=4 564 B2R0.1 O=BO CNP0512281.0 [2,0,0,0,0,0|2,0,0]=4 565 B2R0.1 O=C=O CNP0566212.0 [2,0,0,0,0,0|1,0,1]=4 566 B2R0.1 O=C=S CNP0558182.0 [2,0,0,0,0,0|1,0,1]=4 567 B2R0.1 O=CO CNP0494819.0 [2,0,0,0,0,0|1,0,0]=3 568 B2R0.1 O=NCl CNP0485266.0 [2,0,0,0,0,0|2,0,0]=4 569 B2R0.1 O=NO CNP0506888.0 [2,0,0,0,0,0|2,0,0]=4 570 B2R0.1 O=PO CNP0574430.0 [2,0,0,0,0,0|2,0,0]=4 571 B2R0.1 O=S=O CNP0483725.0 [2,0,0,0,0,0|2,0,0]=4 572 B2R0.1 O=[Mn]=O CNP0493383.0 [2,0,0,0,0,0|2,0,0]=4 573 B2R0.1 O=[Mn]=O CNP0609067.0 [2,0,0,0,0,0|2,0,0]=4 574 B2R0.1 O=[O+][O-] CNP0518683.0 [2,0,0,0,0,0|2,0,0]=4 575 B2R0.1 O=[Se]=O CNP0593099.0 [2,0,0,0,0,0|2,0,0]=4 576 B2R0.1 O=[Si]=O CNP0514392.0 [2,0,0,0,0,0|1,1,0]=4 577 B2R0.1 O=[Te]=O CNP0564386.0 [2,0,0,0,0,0|2,0,0]=4 578 B2R0.1 O=[Ti]=O CNP0587503.0 [2,0,0,0,0,0|2,0,0]=4 579 B2R0.1 OCO CNP0551435.0 [2,0,0,0,0,0|1,0,1]=4 580 B2R0.1 SCS CNP0488241.0 [2,0,0,0,0,0|1,1,0]=4 581 B2R0.1 [C-]#[N+]C CNP0561919.0 [2,0,0,0,0,0|1,0,1]=4 582 B2R0.1 [CH-]=CC CNP0546792.0 [2,0,0,0,0,0|0,0,1]=3 583 B2R0.1 [CH2]CC CNP0535049.0 [2,0,0,0,0,0|0,0,1]=3 584 B4R0.2 C#CC=CC CNP0541501.0 [1,1,0,0,0,0|0,0,2]=4 585 B4R0.2 C#CCC=O CNP0596193.0 [1,1,0,0,0,0|0,0,1]=3 586 B4R0.2 C#CCCC CNP0510243.0 [1,1,0,0,0,0|0,0,2]=4 587 B4R0.2 C#CCCO CNP0577358.0 [1,1,0,0,0,0|0,0,2]=4 588 B4R0.2 C=C=CCC CNP0484675.0 [1,1,0,0,0,0|0,0,1]=3 589 B4R0.2 C=CC=CC CNP0501543.0 [1,1,0,0,0,0|0,0,2]=4 590 B4R0.2 C=CCC#N CNP0498043.0 [1,1,0,0,0,0|0,0,2]=4 591 B4R0.2 C=CCC=C CNP0494589.0 [1,1,0,0,0,0|0,0,2]=4 592 B4R0.2 C=CCCC CNP0529271.0 [1,1,0,0,0,0|0,0,1]=3 593 B4R0.2 C=CCCN CNP0493733.0 [1,1,0,0,0,0|0,0,1]=3 594 B4R0.2 C=CCCO CNP0599473.0 [1,1,0,0,0,0|0,0,1]=3 595 B4R0.2 C=CCSC CNP0572475.0 [1,1,0,0,0,0|0,0,1]=3 596 B4R0.2 C=CCSO CNP0600527.0 [1,1,0,0,0,0|1,0,1]=4 597 B4R0.2 C=CC[Se]C CNP0612039.0 [1,1,0,0,0,0|0,0,1]=3 598 B4R0.2 C=COCC CNP0567970.0 [1,1,0,0,0,0|0,0,1]=3 599 B4R0.2 C=CSCC CNP0581257.0 [1,1,0,0,0,0|0,0,1]=3 600 B4R0.2 CC#CCC CNP0516358.0 [1,1,0,0,0,0|0,0,1]=3 601 B4R0.2 CC=CC#N CNP0588304.0 [1,1,0,0,0,0|0,0,2]=4 602 B4R0.2 CC=CC=O CNP0576575.0 [1,1,0,0,0,0|0,0,1]=3 603 B4R0.2 CC=CCC CNP0524560.0 [1,1,0,0,0,0|0,0,0]=2 604 B4R0.2 CC=CCO CNP0498228.0 [1,1,0,0,0,0|0,0,1]=3 605 B4R0.2 CC=CCS CNP0606069.0 [1,1,0,0,0,0|0,0,1]=3 606 B4R0.2 CC=CSC CNP0587371.0 [1,1,0,0,0,0|0,0,1]=3 607 B4R0.2 CC=CSO CNP0521494.0 [1,1,0,0,0,0|0,0,2]=4 608 B4R0.2 CCC#CO CNP0612045.0 [1,1,0,0,0,0|0,0,2]=4 609 B4R0.2 CCC=NO CNP0599998.0 [1,1,0,0,0,0|0,0,1]=3 610 B4R0.2 CCC=S=O CNP0514855.0 [1,1,0,0,0,0|0,0,0]=2 611 B4R0.2 CCCC=O CNP0518034.0 [1,1,0,0,0,0|0,0,0]=2 612 B4R0.2 CCCCC CNP0486380.0 [1,1,0,0,0,0|0,0,1]=3 613 B4R0.2 CCCCI CNP0558480.0 [1,1,0,0,0,0|0,0,1]=3 614 B4R0.2 CCCCN CNP0597509.0 [1,1,0,0,0,0|0,0,1]=3 615 B4R0.2 CCCCO CNP0505612.0 [1,1,0,0,0,0|0,0,1]=3 616 B4R0.2 CCCCS CNP0598878.0 [1,1,0,0,0,0|0,0,1]=3 617 B4R0.2 CCCNC CNP0599313.0 [1,1,0,0,0,0|0,0,1]=3 618 B4R0.2 CCCOC CNP0609062.0 [1,1,0,0,0,0|0,0,1]=3 619 B4R0.2 CCCSC CNP0481317.0 [1,1,0,0,0,0|0,0,1]=3 620 B4R0.2 CCCSO CNP0594110.0 [1,1,0,0,0,0|0,0,2]=4 621 B4R0.2 CCN=C=S CNP0601773.0 [1,1,0,0,0,0|0,1,1]=4 622 B4R0.2 CCNCC CNP0491960.0 [1,1,0,0,0,0|0,0,1]=3 623 B4R0.2 CCOC=O CNP0525155.0 [1,1,0,0,0,0|0,0,0]=2 624 B4R0.2 CCOCC CNP0572765.0 [1,1,0,0,0,0|0,0,1]=3 625 B4R0.2 CCON=O CNP0596964.0 [1,1,0,0,0,0|1,0,0]=3 626 B4R0.2 CCSC#N CNP0540962.0 [1,1,0,0,0,0|1,0,1]=4 627 B4R0.2 CCSCC CNP0518873.0 [1,1,0,0,0,0|0,0,1]=3 628 B4R0.2 CCSSC CNP0571147.0 [1,1,0,0,0,0|1,0,0]=3 629 B4R0.2 CN=CC=S CNP0547393.0 [1,1,0,0,0,0|0,1,1]=4 630 B4R0.2 CNCCN CNP0496542.0 [1,1,0,0,0,0|1,0,0]=3 631 B4R0.2 CNCCO CNP0513801.0 [1,1,0,0,0,0|1,0,0]=3 632 B4R0.2 COCCI CNP0495552.0 [1,1,0,0,0,0|1,0,0]=3 633 B4R0.2 COCCO CNP0561250.0 [1,1,0,0,0,0|1,0,0]=3 634 B4R0.2 COCC[Si] CNP0501162.0 [1,1,0,0,0,0|1,0,0]=3 635 B4R0.2 CSCC=O CNP0555203.0 [1,1,0,0,0,0|0,0,0]=2 636 B4R0.2 CSCCO CNP0574269.0 [1,1,0,0,0,0|1,0,0]=3 637 B4R0.2 CSCSC CNP0591427.0 [1,1,0,0,0,0|1,0,0]=3 638 B4R0.2 CSSSC CNP0486985.0 [1,1,0,0,0,0|2,0,0]=4 639 B4R0.2 CS[Se]SC CNP0608554.0 [1,1,0,0,0,0|2,0,0]=4 640 B4R0.2 ClC=CCCl CNP0530301.0 [1,1,0,0,0,0|1,0,1]=4 641 B4R0.2 N#CCCN CNP0502764.0 [1,1,0,0,0,0|1,0,1]=4 642 B4R0.2 NCCC=O CNP0502520.0 [1,1,0,0,0,0|0,0,0]=2 643 B4R0.2 NCCCN CNP0566837.0 [1,1,0,0,0,0|1,0,1]=4 644 B4R0.2 NCCCO CNP0538228.0 [1,1,0,0,0,0|0,0,2]=4 645 B4R0.2 NCCCS CNP0560812.0 [1,1,0,0,0,0|0,1,1]=4 646 B4R0.2 O=CC=CCl CNP0542132.0 [1,1,0,0,0,0|0,0,2]=4 647 B4R0.2 O=CCC=O CNP0495847.0 [1,1,0,0,0,0|0,0,1]=3 648 B4R0.2 O=CCCO CNP0525339.0 [1,1,0,0,0,0|0,0,0]=2 649 B4R0.2 OCC=CCl CNP0578872.0 [1,1,0,0,0,0|1,0,1]=4 650 B4R0.2 OCCCBr CNP0506989.0 [1,1,0,0,0,0|0,0,2]=4 651 B4R0.2 OCCCO CNP0503416.0 [1,1,0,0,0,0|0,0,2]=4 652 B4R0.2 OCCCS CNP0586497.0 [1,1,0,0,0,0|0,0,2]=4 653 B4R0.2 SCCCS CNP0528691.0 [1,1,0,0,0,0|0,1,1]=4 654 B4R0.2 [C-]#[N+]CCC CNP0525086.0 [1,1,0,0,0,0|0,0,2]=4 655 B4R0.3 CC(C)(C)C CNP0568936.0 [1,1,0,0,0,0|1,0,1]=4 656 B4R0.3 CC(C)(C)O CNP0541010.0 [1,1,0,0,0,0|0,0,2]=4 657 B4R0.3 CC(C)(N)N CNP0611679.0 [1,1,0,0,0,0|1,0,1]=4 658 B4R0.3 CP(=O)(O)O CNP0605019.0 [1,1,0,0,0,0|2,0,0]=4 659 B4R0.3 CS(=O)(=O)C CNP0605129.0 [1,1,0,0,0,0|1,0,0]=3 660 B4R0.3 CS(=O)(=O)Cl CNP0595350.0 [1,1,0,0,0,0|2,0,0]=4 661 B4R0.3 CS(=O)(=O)O CNP0491438.0 [1,1,0,0,0,0|2,0,0]=4 662 B4R0.3 CS(=O)(=O)S CNP0506131.0 [1,1,0,0,0,0|2,0,0]=4 663 B4R0.3 CS(=S)(C)O CNP0608926.0 [1,1,0,0,0,0|1,0,1]=4 664 B4R0.3 C[As+](C)(C)C CNP0594598.0 [1,1,0,0,0,0|2,0,0]=4 665 B4R0.3 C[As](=O)(C)O CNP0492406.0 [1,1,0,0,0,0|1,0,0]=3 666 B4R0.3 C[As](=O)(O)O CNP0536186.0 [1,1,0,0,0,0|2,0,0]=4 667 B4R0.3 C[N+](C)(C)C CNP0519180.0 [1,1,0,0,0,0|2,0,0]=4 668 B4R0.3 C[N+](C)(C)C CNP0559650.0 [1,1,0,0,0,0|2,0,0]=4 669 B4R0.3 C[N+](C)(C)O CNP0585867.0 [1,1,0,0,0,0|1,0,1]=4 670 B4R0.3 C[N+](C)(C)[O-] CNP0598895.0 [1,1,0,0,0,0|1,0,1]=4 671 B4R0.3 C[Si](C)(C)Cl CNP0530881.0 [1,1,0,0,0,0|1,1,0]=4 672 B4R0.3 C[Si](C)(C)O CNP0575582.0 [1,1,0,0,0,0|0,1,1]=4 673 B4R0.3 C[Si](C)(O)O CNP0563438.0 [1,1,0,0,0,0|0,1,1]=4 674 B6R0.1 C=C(C=O)CC=O CNP0191239.0 [0,2,0,0,0,0|0,0,2]=4 675 B6R0.1 C=C(CO)CCO CNP0082069.0 [0,2,0,0,0,0|1,0,0]=3 676 B6R0.1 C=C([CH]CC)CC CNP0529223.0 [0,2,0,0,0,0|1,0,0]=3 677 B6R0.1 C=CC(=O)CCC CNP0162905.0 [0,2,0,0,0,0|0,0,1]=3 678 B6R0.1 C=CC(=O)OCC CNP0197495.0 [0,2,0,0,0,0|0,0,1]=3 679 B6R0.1 C=CC=C(C)CO CNP0191364.0 [0,2,0,0,0,0|2,0,0]=4 680 B6R0.1 C=CCC(=O)CC CNP0580605.0 [0,2,0,0,0,0|0,0,0]=2 681 B6R0.1 C=CC[C@H](C)C=O CNP0283012.1 [0,2,0,0,0,0|0,0,2]=4 682 B6R0.1 CC(=CC=O)CO CNP0083852.0 [0,2,0,0,0,0|1,0,0]=3 683 B6R0.1 CC(=CCO)CO CNP0277047.0 [0,2,0,0,0,0|0,0,2]=4 684 B6R0.1 CC=C(C)CSC CNP0003230.0 [0,2,0,0,0,0|1,0,0]=3 685 B6R0.1 CC=CC(=CC)C CNP0535908.0 [0,2,0,0,0,0|1,0,1]=4 686 B6R0.1 CC=CC(=O)CC CNP0127812.0 [0,2,0,0,0,0|0,0,0]=2 687 B6R0.1 CC=CC(=O)OC CNP0003452.0 [0,2,0,0,0,0|0,0,1]=3 688 B6R0.1 CC=NN(C)C=O CNP0241743.0 [0,2,0,0,0,0|1,0,1]=4 689 B6R0.1 CCC(=O)CSC CNP0170567.0 [0,2,0,0,0,0|0,0,0]=2 690 B6R0.1 CCC(Br)CCBr CNP0612222.0 [0,2,0,0,0,0|1,0,1]=4 691 B6R0.1 CCC(C)C=NO CNP0605626.0 [0,2,0,0,0,0|0,0,2]=4 692 B6R0.1 CCC(C)CC=O CNP0531748.0 [0,2,0,0,0,0|0,0,1]=3 693 B6R0.1 CCC(C)NC=O CNP0583042.0 [0,2,0,0,0,0|0,0,1]=3 694 B6R0.1 CCC(C)OC=O CNP0570369.0 [0,2,0,0,0,0|0,0,1]=3 695 B6R0.1 CCC(C)ON=O CNP0521211.0 [0,2,0,0,0,0|0,0,1]=3 696 B6R0.1 CCC=C(C)C=O CNP0245615.0 [0,2,0,0,0,0|0,0,0]=2 697 B6R0.1 CCC=C(C)CO CNP0511576.0 [0,2,0,0,0,0|0,0,1]=3 698 B6R0.1 CCCC(=NO)C CNP0211014.0 [0,2,0,0,0,0|0,0,1]=3 699 B6R0.1 CCCC(=O)C#N CNP0204240.0 [0,2,0,0,0,0|0,0,1]=3 700 B6R0.1 CCCC(=O)C=O CNP0111121.0 [0,2,0,0,0,0|0,0,1]=3 701 B6R0.1 CCCC(=O)CC CNP0248158.0 [0,2,0,0,0,0|0,0,0]=2 702 B6R0.1 CCCC(=O)CO CNP0084314.0 [0,2,0,0,0,0|0,0,0]=2 703 B6R0.1 CCCC(=O)OC CNP0159910.0 [0,2,0,0,0,0|0,0,0]=2 704 B6R0.1 CCCC(=O)SC CNP0084452.0 [0,2,0,0,0,0|0,0,0]=2 705 B6R0.1 CCCC(C)C#N CNP0583202.0 [0,2,0,0,0,0|1,0,1]=4 706 B6R0.1 CCC[C@@H](C)C=O CNP0370387.1 [0,2,0,0,0,0|0,0,1]=3 707 B6R0.1 CCC[C@@H](C)CC CNP0407855.1 [0,2,0,0,0,0|1,0,1]=4 708 B6R0.1 CCC[C@@H](C)CO CNP0356704.1 [0,2,0,0,0,0|0,0,2]=4 709 B6R0.1 CCC[C@@H](C)SC CNP0188673.1 [0,2,0,0,0,0|0,1,1]=4 710 B6R0.1 CCC[C@@H](O)CC CNP0346810.2 [0,2,0,0,0,0|0,0,2]=4 711 B6R0.1 CCC[C@H](C)CC CNP0407855.2 [0,2,0,0,0,0|1,0,1]=4 712 B6R0.1 CCC[C@H](C)CO CNP0356704.2 [0,2,0,0,0,0|0,0,2]=4 713 B6R0.1 CCC[C@H](C)NC CNP0298650.1 [0,2,0,0,0,0|1,0,1]=4 714 B6R0.1 CCC[C@H](O)CC CNP0346810.1 [0,2,0,0,0,0|0,0,2]=4 715 B6R0.1 CCC[S+]([O-])SC CNP0596263.0 [0,2,0,0,0,0|1,0,1]=4 716 B6R0.1 CCNC(=O)CC CNP0586892.0 [0,2,0,0,0,0|0,0,0]=2 717 B6R0.1 CCNC(=O)OC CNP0585352.0 [0,2,0,0,0,0|0,0,0]=2 718 B6R0.1 CCOC(=O)C=O CNP0218484.0 [0,2,0,0,0,0|0,0,1]=3 719 B6R0.1 CCOC(=O)CC CNP0169171.0 [0,2,0,0,0,0|0,0,0]=2 720 B6R0.1 CCOC(=O)CI CNP0158474.0 [0,2,0,0,0,0|0,0,0]=2 721 B6R0.1 CCOC(=O)NC CNP0565390.0 [0,2,0,0,0,0|0,0,0]=2 722 B6R0.1 CCOC(C)CC CNP0086282.0 [0,2,0,0,0,0|0,0,2]=4 723 B6R0.1 CCOC(C)OC CNP0612171.0 [0,2,0,0,0,0|0,0,2]=4 724 B6R0.1 CCO[C@H](C)OO CNP0135079.1 [0,2,0,0,0,0|0,0,2]=4 725 B6R0.1 CCSC(=O)CC CNP0265303.0 [0,2,0,0,0,0|0,0,0]=2 726 B6R0.1 CCSC(C)SC CNP0611888.0 [0,2,0,0,0,0|0,1,1]=4 727 B6R0.1 CCSC(S)CC CNP0488688.0 [0,2,0,0,0,0|0,1,1]=4 728 B6R0.1 CC[C@@H](C)CCO CNP0260863.2 [0,2,0,0,0,0|0,0,2]=4 729 B6R0.1 CC[C@@H](C)N=C=S CNP0416348.1 [0,2,0,0,0,0|0,1,1]=4 730 B6R0.1 CC[C@@H](C)SSC CNP0348346.1 [0,2,0,0,0,0|0,1,1]=4 731 B6R0.1 CC[C@H](C)CCO CNP0260863.1 [0,2,0,0,0,0|0,0,2]=4 732 B6R0.1 CC[C@H](C)N=C=S CNP0416348.2 [0,2,0,0,0,0|0,1,1]=4 733 B6R0.1 CNC(=S)NCO CNP0487489.0 [0,2,0,0,0,0|1,1,0]=4 734 B6R0.1 CNCC(=O)OC CNP0311286.0 [0,2,0,0,0,0|0,0,0]=2 735 B6R0.1 COC(=O)C#CBr CNP0419364.0 [0,2,0,0,0,0|0,0,2]=4 736 B6R0.1 COC(=O)C=CBr CNP0321764.0 [0,2,0,0,0,0|0,0,2]=4 737 B6R0.1 COC(=O)C=CI CNP0190700.0 [0,2,0,0,0,0|0,0,2]=4 738 B6R0.1 COC(=O)C=NO CNP0235637.0 [0,2,0,0,0,0|1,0,1]=4 739 B6R0.1 COC(=O)CC=O CNP0187576.0 [0,2,0,0,0,0|0,0,1]=3 740 B6R0.1 COC(=O)CSC CNP0189712.0 [0,2,0,0,0,0|0,0,0]=2 741 B6R0.1 COCC(=O)OC CNP0202591.0 [0,2,0,0,0,0|0,0,0]=2 742 B6R0.1 COC[C@@H](O)CO CNP0105123.1 [0,2,0,0,0,0|0,0,2]=4 743 B6R0.1 COC[C@H](O)CO CNP0105123.2 [0,2,0,0,0,0|0,0,2]=4 744 B6R0.1 CSC(C)CC=O CNP0002406.0 [0,2,0,0,0,0|1,0,1]=4 745 B6R0.1 NCC[C@@H](O)CN CNP0347226.2 [0,2,0,0,0,0|0,0,2]=4 746 B6R0.1 NCC[C@H](O)CN CNP0347226.1 [0,2,0,0,0,0|0,0,2]=4 747 B6R0.1 O=CC(=O)CCO CNP0294743.0 [0,2,0,0,0,0|0,0,1]=3 748 B6R0.1 OCC[C@H](O)CO CNP0190269.1 [0,2,0,0,0,0|0,0,2]=4 749 B6R0.2 C=C(C)CC(=O)C CNP0331918.0 [0,2,0,0,0,0|0,0,0]=2 750 B6R0.2 C=C(N)CC(=O)O CNP0312147.0 [0,2,0,0,0,0|1,0,1]=4 751 B6R0.2 C=C(O)CC(=O)O CNP0082070.0 [0,2,0,0,0,0|1,0,1]=4 752 B6R0.2 CC(=CC(=O)Cl)C CNP0301599.0 [0,2,0,0,0,0|1,0,1]=4 753 B6R0.2 CC(=CC(=O)N)C CNP0186116.0 [0,2,0,0,0,0|1,0,1]=4 754 B6R0.2 CC(=CC(=O)O)C CNP0191929.0 [0,2,0,0,0,0|1,0,1]=4 755 B6R0.2 CC(=CC(=O)O)O CNP0487751.0 [0,2,0,0,0,0|1,0,1]=4 756 B6R0.2 CC(=CC(C)C)C CNP0084966.0 [0,2,0,0,0,0|1,0,0]=3 757 B6R0.2 CC(=C[13C](=O)C)C CNP0541964.0 [0,2,0,0,0,0|0,0,1]=3 758 B6R0.2 CC(=N)CC(=O)C CNP0178786.0 [0,2,0,0,0,0|0,0,0]=2 759 B6R0.2 CC(=N)C[N+](=O)[O-] CNP0571090.0 [0,2,0,0,0,0|2,0,0]=4 760 B6R0.2 CC(=O)C=C(C)C CNP0258331.0 [0,2,0,0,0,0|0,0,1]=3 761 B6R0.2 CC(=O)C=C(C)O CNP0344390.0 [0,2,0,0,0,0|0,0,1]=3 762 B6R0.2 CC(=O)CC(=O)C CNP0267628.0 [0,2,0,0,0,0|0,0,0]=2 763 B6R0.2 CC(=O)CC(=O)N CNP0237689.0 [0,2,0,0,0,0|0,0,1]=3 764 B6R0.2 CC(=O)CC(=O)O CNP0286292.0 [0,2,0,0,0,0|0,0,1]=3 765 B6R0.2 CC(=O)CC(C)C CNP0178924.0 [0,2,0,0,0,0|0,0,0]=2 766 B6R0.2 CC(=O)C[C@@H](C)O CNP0209002.1 [0,2,0,0,0,0|0,0,0]=2 767 B6R0.2 CC(=O)C[C@H](C)O CNP0209002.2 [0,2,0,0,0,0|0,0,0]=2 768 B6R0.2 CC(=O)NC(=N)N CNP0201651.0 [0,2,0,0,0,0|1,0,1]=4 769 B6R0.2 CC(=O)NC(=O)C CNP0582746.0 [0,2,0,0,0,0|0,0,1]=3 770 B6R0.2 CC(=O)NC(=O)N CNP0114939.0 [0,2,0,0,0,0|1,0,1]=4 771 B6R0.2 CC(=O)NC(=S)N CNP0147596.0 [0,2,0,0,0,0|1,0,1]=4 772 B6R0.2 CC(=O)OC(=O)C CNP0296904.0 [0,2,0,0,0,0|0,0,1]=3 773 B6R0.2 CC(=O)OC(C)C CNP0234567.0 [0,2,0,0,0,0|0,0,0]=2 774 B6R0.2 CC(=O)SC(=O)C CNP0165468.0 [0,2,0,0,0,0|0,0,1]=3 775 B6R0.2 CC(=S)OC(=S)C CNP0526914.0 [0,2,0,0,0,0|0,1,1]=4 776 B6R0.2 CC(=S)OC(C)C CNP0539735.0 [0,2,0,0,0,0|0,1,0]=3 777 B6R0.2 CC(Br)C=C(Br)Br CNP0435859.0 [0,2,0,0,0,0|2,0,0]=4 778 B6R0.2 CC(C)CC(=O)N CNP0512695.0 [0,2,0,0,0,0|1,0,0]=3 779 B6R0.2 CC(C)CC(C)C CNP0241759.0 [0,2,0,0,0,0|1,0,1]=4 780 B6R0.2 CC(C)CC(C)O CNP0493734.0 [0,2,0,0,0,0|0,0,2]=4 781 B6R0.2 CC(C)C[C@@H](C)N CNP0556567.1 [0,2,0,0,0,0|1,0,1]=4 782 B6R0.2 CC(C)C[S@@+](C)[O-] CNP0553779.1 [0,2,0,0,0,0|1,0,1]=4 783 B6R0.2 CC(C)C[S@@H+](C)[O-] CNP0593384.1 [0,2,0,0,0,0|1,0,1]=4 784 B6R0.2 CC(C)NC(=O)N CNP0331187.0 [0,2,0,0,0,0|1,0,0]=3 785 B6R0.2 CC(C)NC(=S)N CNP0284249.0 [0,2,0,0,0,0|1,1,0]=4 786 B6R0.2 CC(C)NC(C)C CNP0209283.0 [0,2,0,0,0,0|1,0,1]=4 787 B6R0.2 CC(C)SC(=N)N CNP0584188.0 [0,2,0,0,0,0|2,0,0]=4 788 B6R0.2 CC(C)SC(C)C CNP0213199.0 [0,2,0,0,0,0|1,0,1]=4 789 B6R0.2 CC(O)CC(=O)N CNP0217857.0 [0,2,0,0,0,0|1,0,0]=3 790 B6R0.2 CC(S)SC(C)S CNP0174729.0 [0,2,0,0,0,0|0,1,1]=4 791 B6R0.2 CN(C)CC(=O)Cl CNP0017846.0 [0,2,0,0,0,0|1,0,0]=3 792 B6R0.2 CN(C)CC(=O)N CNP0045146.0 [0,2,0,0,0,0|1,0,0]=3 793 B6R0.2 CN(C)CC(=O)O CNP0175140.0 [0,2,0,0,0,0|1,0,0]=3 794 B6R0.2 CN(C)C[S+](C)[O-] CNP0538671.0 [0,2,0,0,0,0|1,0,1]=4 795 B6R0.2 C[C@@H](N)CC(=O)O CNP0287180.2 [0,2,0,0,0,0|1,0,0]=3 796 B6R0.2 C[C@@H](O)CC(=O)O CNP0161860.1 [0,2,0,0,0,0|1,0,0]=3 797 B6R0.2 C[C@@H](O)C[C@@H](C)O CNP0138640.1 [0,2,0,0,0,0|0,0,2]=4 798 B6R0.2 C[C@H](N)CC(=O)O CNP0287180.1 [0,2,0,0,0,0|1,0,0]=3 799 B6R0.2 C[C@H](O)CC(=O)O CNP0161860.2 [0,2,0,0,0,0|1,0,0]=3 800 B6R0.2 C[C@H]([13CH3])CC(=O)O CNP0175489.1 [0,2,0,0,0,0|1,0,0]=3 801 B6R0.2 C[C](C)CC(=O)O CNP0606523.0 [0,2,0,0,0,0|1,0,0]=3 802 B6R0.2 C[S+](C)CC(=O)O CNP0149325.0 [0,2,0,0,0,0|1,0,0]=3 803 B6R0.2 C[S+](C)CC(=O)[O-] CNP0153505.0 [0,2,0,0,0,0|1,0,0]=3 804 B6R0.2 NC(=O)CC(=O)N CNP0249745.0 [0,2,0,0,0,0|1,0,1]=4 805 B6R0.2 NC(=O)CC(=O)O CNP0514577.0 [0,2,0,0,0,0|1,0,1]=4 806 B6R0.2 O=C(Cl)CC(=O)Cl CNP0314978.0 [0,2,0,0,0,0|1,0,1]=4 807 B6R0.2 O=C(O)CC(=O)O CNP0327247.0 [0,2,0,0,0,0|1,0,1]=4 808 B6R0.3 C#C[C@H](N)C(=O)O CNP0348654.1 [0,2,0,0,0,0|1,0,1]=4 809 B6R0.3 C=C(C)C(=O)OC CNP0278102.0 [0,2,0,0,0,0|0,0,1]=3 810 B6R0.3 C=C(C)[C@H](C)CC CNP0076705.1 [0,2,0,0,0,0|1,0,0]=3 811 B6R0.3 C=C(CC)C(=O)O CNP0082368.0 [0,2,0,0,0,0|0,0,1]=3 812 B6R0.3 C=C(CN)C(=O)O CNP0223341.0 [0,2,0,0,0,0|1,0,1]=4 813 B6R0.3 C=C(Cl)C(=O)OC CNP0115457.0 [0,2,0,0,0,0|0,0,2]=4 814 B6R0.3 C=C(NC)C(=O)O CNP0542368.0 [0,2,0,0,0,0|1,0,1]=4 815 B6R0.3 C=CC(=O)C(C)C CNP0350661.0 [0,2,0,0,0,0|0,0,1]=3 816 B6R0.3 C=C[C@@H](N)C(=O)O CNP0240520.1 [0,2,0,0,0,0|1,0,1]=4 817 B6R0.3 C=C[C@H](N)C(=O)O CNP0240520.2 [0,2,0,0,0,0|1,0,1]=4 818 B6R0.3 CC(=NO)C(=O)O CNP0205729.0 [0,2,0,0,0,0|1,0,1]=4 819 B6R0.3 CC(=O)C(=CBr)Br CNP0164912.0 [0,2,0,0,0,0|0,0,2]=4 820 B6R0.3 CC(=O)C(=NO)C CNP0091192.0 [0,2,0,0,0,0|0,0,1]=3 821 B6R0.3 CC(=O)C(C)C#N CNP0503071.0 [0,2,0,0,0,0|0,0,0]=2 822 B6R0.3 CC(Br)C(=O)CBr CNP0435945.0 [0,2,0,0,0,0|0,0,0]=2 823 B6R0.3 CC(C)C(=O)C#N CNP0344819.0 [0,2,0,0,0,0|0,0,1]=3 824 B6R0.3 CC(C)C(C)CO CNP0127606.0 [0,2,0,0,0,0|0,0,2]=4 825 B6R0.3 CC(C)C(N)C=O CNP0484074.0 [0,2,0,0,0,0|1,0,1]=4 826 B6R0.3 CC(C)C(N)C=O CNP0491546.0 [0,2,0,0,0,0|1,0,1]=4 827 B6R0.3 CC(C)C(N)C=O CNP0498484.0 [0,2,0,0,0,0|1,0,1]=4 828 B6R0.3 CC(C)[C@@H](N)CO CNP0177308.2 [0,2,0,0,0,0|1,0,1]=4 829 B6R0.3 CC(C)[C@@H](S)CO CNP0191310.1 [0,2,0,0,0,0|0,1,1]=4 830 B6R0.3 CC(C)[C@H](N)CO CNP0177308.1 [0,2,0,0,0,0|1,0,1]=4 831 B6R0.3 CC(O)C(=O)CO CNP0185354.0 [0,2,0,0,0,0|0,0,0]=2 832 B6R0.3 CC=C(C)C(=O)C CNP0119709.0 [0,2,0,0,0,0|0,0,1]=3 833 B6R0.3 CC=C(C)C(=O)N CNP0399229.0 [0,2,0,0,0,0|0,0,1]=3 834 B6R0.3 CC=C(C)C(=O)O CNP0238363.0 [0,2,0,0,0,0|0,0,1]=3 835 B6R0.3 CC=C(N)C(=O)O CNP0146934.0 [0,2,0,0,0,0|1,0,1]=4 836 B6R0.3 CCC(=C(C)C)C CNP0076862.0 [0,2,0,0,0,0|1,0,0]=3 837 B6R0.3 CCC(=O)C(=O)C CNP0311036.0 [0,2,0,0,0,0|0,0,0]=2 838 B6R0.3 CCC(=O)C(=O)O CNP0283357.0 [0,2,0,0,0,0|0,0,1]=3 839 B6R0.3 CCC(=O)C(C)C CNP0169958.0 [0,2,0,0,0,0|0,0,0]=2 840 B6R0.3 CCC(=O)C(C)S CNP0003027.0 [0,2,0,0,0,0|0,0,0]=2 841 B6R0.3 CCC(=O)N(C)C CNP0205998.0 [0,2,0,0,0,0|0,0,0]=2 842 B6R0.3 CCC(=O)[C@H](C)N CNP0316941.1 [0,2,0,0,0,0|0,0,0]=2 843 B6R0.3 CCC(=O)[C@H](C)O CNP0287252.1 [0,2,0,0,0,0|0,0,0]=2 844 B6R0.3 CCC(O)C(=O)C CNP0413470.0 [0,2,0,0,0,0|0,0,0]=2 845 B6R0.3 CCC(O)C(C)C CNP0265736.0 [0,2,0,0,0,0|0,0,2]=4 846 B6R0.3 CCC(O)C(C)O CNP0519497.0 [0,2,0,0,0,0|0,0,2]=4 847 B6R0.3 CCC(S)C(=O)C CNP0064467.0 [0,2,0,0,0,0|0,0,0]=2 848 B6R0.3 CCC(S)C(C)C CNP0611989.0 [0,2,0,0,0,0|0,1,1]=4 849 B6R0.3 CC[C@@H](C)C(=O)C CNP0151175.1 [0,2,0,0,0,0|0,0,0]=2 850 B6R0.3 CC[C@@H](C)C(=O)Cl CNP0146254.2 [0,2,0,0,0,0|0,0,1]=3 851 B6R0.3 CC[C@@H](C)C(=O)N CNP0157695.1 [0,2,0,0,0,0|0,0,1]=3 852 B6R0.3 CC[C@@H](C)C(=O)O CNP0187792.1 [0,2,0,0,0,0|0,0,1]=3 853 B6R0.3 CC[C@@H](C)C(O)O CNP0597016.1 [0,2,0,0,0,0|0,0,2]=4 854 B6R0.3 CC[C@@H](C)[C@@H](C)O CNP0061619.1 [0,2,0,0,0,0|0,0,2]=4 855 B6R0.3 CC[C@@H](N)C(=O)O CNP0243222.1 [0,2,0,0,0,0|1,0,0]=3 856 B6R0.3 CC[C@@H](O)C(=O)C CNP0413470.1 [0,2,0,0,0,0|0,0,0]=2 857 B6R0.3 CC[C@@H](O)C(=O)O CNP0162708.1 [0,2,0,0,0,0|1,0,0]=3 858 B6R0.3 CC[C@H](C)C(=O)C CNP0151175.2 [0,2,0,0,0,0|0,0,0]=2 859 B6R0.3 CC[C@H](C)C(=O)Cl CNP0146254.1 [0,2,0,0,0,0|0,0,1]=3 860 B6R0.3 CC[C@H](C)C(=O)N CNP0157695.2 [0,2,0,0,0,0|0,0,1]=3 861 B6R0.3 CC[C@H](C)C(=O)O CNP0187792.2 [0,2,0,0,0,0|0,0,1]=3 862 B6R0.3 CC[C@H](C)C(C)C CNP0304167.1 [0,2,0,0,0,0|1,0,1]=4 863 B6R0.3 CC[C@H](C)[C@@H](C)O CNP0061619.2 [0,2,0,0,0,0|0,0,2]=4 864 B6R0.3 CC[C@H](N)C(=O)O CNP0243222.3 [0,2,0,0,0,0|1,0,0]=3 865 B6R0.3 CC[C@H](O)C(=O)O CNP0162708.2 [0,2,0,0,0,0|1,0,0]=3 866 B6R0.3 CN(C)C(=O)NO CNP0145831.0 [0,2,0,0,0,0|2,0,0]=4 867 B6R0.3 CN(N=O)C(=O)N CNP0122422.0 [0,2,0,0,0,0|2,0,0]=4 868 B6R0.3 CNC(=O)C(=O)O CNP0336017.0 [0,2,0,0,0,0|1,0,1]=4 869 B6R0.3 CNC(=O)N(C)C CNP0499080.0 [0,2,0,0,0,0|1,0,0]=3 870 B6R0.3 CNC(=S)N(C)C CNP0368290.0 [0,2,0,0,0,0|1,1,0]=4 871 B6R0.3 CN[C@@H](C)C(=O)O CNP0126063.1 [0,2,0,0,0,0|1,0,0]=3 872 B6R0.3 CN[C@H](C)C(=O)O CNP0126063.2 [0,2,0,0,0,0|1,0,0]=3 873 B6R0.3 COC(=O)C(=O)C CNP0301085.0 [0,2,0,0,0,0|0,0,1]=3 874 B6R0.3 COC(=O)C(=O)Cl CNP0247015.0 [0,2,0,0,0,0|1,0,1]=4 875 B6R0.3 COC(=O)C(=O)O CNP0117987.0 [0,2,0,0,0,0|1,0,1]=4 876 B6R0.3 COC(=O)C(Br)Br CNP0192713.0 [0,2,0,0,0,0|1,0,0]=3 877 B6R0.3 COC(=O)C(C)C CNP0354997.0 [0,2,0,0,0,0|0,0,0]=2 878 B6R0.3 COC(=O)[C@@H](C)N CNP0396122.3 [0,2,0,0,0,0|0,0,0]=2 879 B6R0.3 COC(=O)[C@@H](C)O CNP0238296.2 [0,2,0,0,0,0|0,0,0]=2 880 B6R0.3 COC(=O)[C@@H](N)O CNP0142697.1 [0,2,0,0,0,0|1,0,0]=3 881 B6R0.3 COC(=O)[C@H](C)N CNP0396122.2 [0,2,0,0,0,0|0,0,0]=2 882 B6R0.3 COC(=O)[C@H](C)O CNP0238296.1 [0,2,0,0,0,0|0,0,0]=2 883 B6R0.3 COC(=S)C(C)C CNP0507266.0 [0,2,0,0,0,0|0,1,0]=3 884 B6R0.3 CO[C@@H](C)C(=O)C CNP0325332.1 [0,2,0,0,0,0|0,0,0]=2 885 B6R0.3 CSC(C)C(=O)C CNP0075921.0 [0,2,0,0,0,0|0,0,0]=2 886 B6R0.3 CSC(C)C(C)C CNP0245218.0 [0,2,0,0,0,0|0,1,1]=4 887 B6R0.3 C[C@@H](C=O)C(=O)O CNP0083546.1 [0,2,0,0,0,0|1,0,0]=3 888 B6R0.3 C[C@@H](CN)C(=O)O CNP0291505.1 [0,2,0,0,0,0|1,0,0]=3 889 B6R0.3 C[C@@H](CO)C(=O)O CNP0257203.1 [0,2,0,0,0,0|1,0,0]=3 890 B6R0.3 C[C@@H](O)[C@@H](C)CO CNP0424442.1 [0,2,0,0,0,0|0,0,2]=4 891 B6R0.3 C[C@@H](O)[C@@H](O)CO CNP0199934.3 [0,2,0,0,0,0|0,0,2]=4 892 B6R0.3 C[C@@H](O)[C@H](N)C=O CNP0119001.1 [0,2,0,0,0,0|1,0,1]=4 893 B6R0.3 C[C@@H](O)[C@H](N)CO CNP0049541.1 [0,2,0,0,0,0|0,0,2]=4 894 B6R0.3 C[C@@H](O)[C@H](O)CO CNP0199934.1 [0,2,0,0,0,0|0,0,2]=4 895 B6R0.3 C[C@H](CCl)N(C)C CNP0239301.1 [0,2,0,0,0,0|2,0,0]=4 896 B6R0.3 C[C@H](CN)C(=O)O CNP0291505.2 [0,2,0,0,0,0|1,0,0]=3 897 B6R0.3 C[C@H](CO)C(=O)O CNP0257203.2 [0,2,0,0,0,0|1,0,0]=3 898 B6R0.3 C[C@H](NO)C(=O)O CNP0221656.1 [0,2,0,0,0,0|1,0,0]=3 899 B6R0.3 C[C@H](O)[C@H](O)CO CNP0199934.2 [0,2,0,0,0,0|0,0,2]=4 900 B6R0.3 NC(=O)[C@@H](N)CS CNP0562682.1 [0,2,0,0,0,0|1,0,0]=3 901 B6R0.3 NC(=O)[C@@H](O)CO CNP0263493.1 [0,2,0,0,0,0|1,0,0]=3 902 B6R0.3 NC[C@@H](N)C(=O)O CNP0403048.1 [0,2,0,0,0,0|1,0,0]=3 903 B6R0.3 NC[C@@H](O)C(=O)O CNP0213687.1 [0,2,0,0,0,0|1,0,0]=3 904 B6R0.3 NC[C@H](N)C(=O)O CNP0403048.2 [0,2,0,0,0,0|1,0,0]=3 905 B6R0.3 N[C@@H](C=O)C(=O)O CNP0082836.1 [0,2,0,0,0,0|1,0,1]=4 906 B6R0.3 N[C@@H](CO)C(=O)O CNP0275512.1 [0,2,0,0,0,0|1,0,0]=3 907 B6R0.3 N[C@@H](CS)C(=O)O CNP0280490.1 [0,2,0,0,0,0|1,0,0]=3 908 B6R0.3 N[C@@H](CS)C(=O)O CNP0543246.1 [0,2,0,0,0,0|1,0,0]=3 909 B6R0.3 N[C@@H](C[SeH])C(=O)O CNP0105616.1 [0,2,0,0,0,0|1,0,0]=3 910 B6R0.3 N[C@@H](C[Se])C(=O)O CNP0539066.1 [0,2,0,0,0,0|1,0,0]=3 911 B6R0.3 N[C@H](CCl)C(=O)O CNP0597943.1 [0,2,0,0,0,0|1,0,0]=3 912 B6R0.3 N[C@H](CO)C(=O)O CNP0275512.2 [0,2,0,0,0,0|1,0,0]=3 913 B6R0.3 N[C@H](CS)C(=O)O CNP0280490.2 [0,2,0,0,0,0|1,0,0]=3 914 B6R0.3 N[C@H](C[SeH])C(=O)O CNP0105616.2 [0,2,0,0,0,0|1,0,0]=3 915 B6R0.3 O=C(CBr)C(Br)Br CNP0156364.0 [0,2,0,0,0,0|1,0,0]=3 916 B6R0.3 O=C(CBr)C(Cl)Cl CNP0175070.0 [0,2,0,0,0,0|1,0,0]=3 917 B6R0.3 O=C(CBr)[C@@H](Cl)Br CNP0199732.1 [0,2,0,0,0,0|1,0,0]=3 918 B6R0.3 O=C(CCl)C(Br)Br CNP0124606.0 [0,2,0,0,0,0|1,0,0]=3 919 B6R0.3 O=C(CCl)C(Cl)Cl CNP0243162.0 [0,2,0,0,0,0|1,0,0]=3 920 B6R0.3 O=C(CCl)[C@H](Cl)Br CNP0320239.1 [0,2,0,0,0,0|1,0,0]=3 921 B6R0.3 O=C(CI)C(Br)Br CNP0231151.0 [0,2,0,0,0,0|1,0,0]=3 922 B6R0.3 O=C(O)C(=O)CO CNP0343498.0 [0,2,0,0,0,0|1,0,1]=4 923 B6R0.3 O=C(O)C(=O)CS CNP0172399.0 [0,2,0,0,0,0|1,0,1]=4 924 B6R0.3 O=C(O)[C@@H](O)CCl CNP0460792.2 [0,2,0,0,0,0|1,0,0]=3 925 B6R0.3 O=C(O)[C@@H](O)CO CNP0264905.2 [0,2,0,0,0,0|1,0,0]=3 926 B6R0.3 O=C(O)[C@@H](O)CS CNP0083519.1 [0,2,0,0,0,0|1,0,0]=3 927 B6R0.3 O=C(O)[C@H](O)CCl CNP0460792.1 [0,2,0,0,0,0|1,0,0]=3 928 B6R0.3 O=C(O)[C@H](O)CO CNP0264905.1 [0,2,0,0,0,0|1,0,0]=3 929 B6R0.3 O=C([O-])C(=O)CS CNP0525904.0 [0,2,0,0,0,0|1,0,1]=4 930 B6R0.3 O=CC(O)C(=O)O CNP0083603.0 [0,2,0,0,0,0|1,0,1]=4 931 B6R0.3 [C-]#[N+][C@@H](C)C(=O)O CNP0523631.1 [0,2,0,0,0,0|1,0,0]=3 932 B6R0.4 C#CNCC(=O)O CNP0073758.0 [0,2,0,0,0,0|1,0,1]=4 933 B6R0.4 C=C(C)CCSC CNP0330891.0 [0,2,0,0,0,0|1,0,0]=3 934 B6R0.4 C=CCCC(=O)C CNP0610109.0 [0,2,0,0,0,0|0,0,0]=2 935 B6R0.4 C=CCCC(=O)N CNP0118917.0 [0,2,0,0,0,0|1,0,0]=3 936 B6R0.4 C=CCCC(=O)O CNP0003359.0 [0,2,0,0,0,0|1,0,0]=3 937 B6R0.4 C=CCCC(C)O CNP0519217.0 [0,2,0,0,0,0|0,0,2]=4 938 B6R0.4 C=CCOC(=O)C CNP0175648.0 [0,2,0,0,0,0|0,0,1]=3 939 B6R0.4 C=CCSC(=O)C CNP0301401.0 [0,2,0,0,0,0|0,0,1]=3 940 B6R0.4 CC(=CCC=O)C CNP0094675.0 [0,2,0,0,0,0|1,0,1]=4 941 B6R0.4 CC(=CCCN)C CNP0568876.0 [0,2,0,0,0,0|1,0,0]=3 942 B6R0.4 CC(=CCCO)C CNP0410779.0 [0,2,0,0,0,0|1,0,0]=3 943 B6R0.4 CC(=O)CCC=O CNP0261239.0 [0,2,0,0,0,0|0,0,0]=2 944 B6R0.4 CC(=O)NCCN CNP0182526.0 [0,2,0,0,0,0|0,0,0]=2 945 B6R0.4 CC(=O)NCCO CNP0304709.0 [0,2,0,0,0,0|0,0,0]=2 946 B6R0.4 CC(=O)NCCS CNP0516453.0 [0,2,0,0,0,0|0,0,0]=2 947 B6R0.4 CC(=O)OCCI CNP0274212.0 [0,2,0,0,0,0|0,0,0]=2 948 B6R0.4 CC(=O)OCCN CNP0165405.0 [0,2,0,0,0,0|0,0,0]=2 949 B6R0.4 CC(=O)OCCO CNP0589275.0 [0,2,0,0,0,0|0,0,0]=2 950 B6R0.4 CC(C)CCC#N CNP0386277.0 [0,2,0,0,0,0|1,0,1]=4 951 B6R0.4 CC(C)CCC=O CNP0198082.0 [0,2,0,0,0,0|1,0,1]=4 952 B6R0.4 CC(C)CCCO CNP0344466.0 [0,2,0,0,0,0|1,0,1]=4 953 B6R0.4 CC(C)NCCN CNP0082470.0 [0,2,0,0,0,0|1,0,1]=4 954 B6R0.4 CC(C)NCCO CNP0141461.0 [0,2,0,0,0,0|1,0,1]=4 955 B6R0.4 CC(C)OCCO CNP0079907.0 [0,2,0,0,0,0|1,0,1]=4 956 B6R0.4 CC=CC=C(C)C CNP0318303.0 [0,2,0,0,0,0|1,0,1]=4 957 B6R0.4 CC=CCC(=O)O CNP0610144.0 [0,2,0,0,0,0|1,0,0]=3 958 B6R0.4 CC=CCC(C)C CNP0081831.0 [0,2,0,0,0,0|1,0,1]=4 959 B6R0.4 CC=CCC(C)O CNP0217280.0 [0,2,0,0,0,0|0,0,2]=4 960 B6R0.4 CCC=CC(=O)C CNP0129352.0 [0,2,0,0,0,0|0,0,0]=2 961 B6R0.4 CCC=CC(=O)O CNP0185292.0 [0,2,0,0,0,0|1,0,0]=3 962 B6R0.4 CCCC=C(C)O CNP0268446.0 [0,2,0,0,0,0|0,0,1]=3 963 B6R0.4 CCCCC(=O)C CNP0194685.0 [0,2,0,0,0,0|0,0,0]=2 964 B6R0.4 CCCCC(=O)N CNP0248834.0 [0,2,0,0,0,0|1,0,0]=3 965 B6R0.4 CCCCC(=O)O CNP0144818.0 [0,2,0,0,0,0|1,0,0]=3 966 B6R0.4 CCCCC(C)C CNP0312749.0 [0,2,0,0,0,0|1,0,1]=4 967 B6R0.4 CCCC[11C](=O)O CNP0540258.0 [0,2,0,0,0,0|1,0,0]=3 968 B6R0.4 CCCC[C@@H](C)O CNP0276755.1 [0,2,0,0,0,0|0,0,2]=4 969 B6R0.4 CCCC[C@H](C)O CNP0276755.2 [0,2,0,0,0,0|0,0,2]=4 970 B6R0.4 CCCNC(=O)C CNP0115400.0 [0,2,0,0,0,0|0,0,0]=2 971 B6R0.4 CCCOC(=O)C CNP0274142.0 [0,2,0,0,0,0|0,0,0]=2 972 B6R0.4 CCCSC(=O)C CNP0076500.0 [0,2,0,0,0,0|0,0,0]=2 973 B6R0.4 CCCSC(C)C CNP0228244.0 [0,2,0,0,0,0|1,0,1]=4 974 B6R0.4 CCCSC(C)S CNP0609747.0 [0,2,0,0,0,0|0,1,1]=4 975 B6R0.4 CCCS[S+](C)[O-] CNP0597218.0 [0,2,0,0,0,0|1,0,1]=4 976 B6R0.4 CCNCC(=O)O CNP0076362.0 [0,2,0,0,0,0|1,0,0]=3 977 B6R0.4 CCNCC(C)C CNP0165310.0 [0,2,0,0,0,0|1,0,1]=4 978 B6R0.4 CCOCC(=O)N CNP0329352.0 [0,2,0,0,0,0|1,0,0]=3 979 B6R0.4 CCOCC(=O)O CNP0229583.0 [0,2,0,0,0,0|1,0,0]=3 980 B6R0.4 CCOC[C@@H](C)O CNP0076159.1 [0,2,0,0,0,0|0,0,2]=4 981 B6R0.4 CCSCC(C)C CNP0208462.0 [0,2,0,0,0,0|1,0,1]=4 982 B6R0.4 CCSSC(C)C CNP0003135.0 [0,2,0,0,0,0|1,0,1]=4 983 B6R0.4 CNCCC(=O)O CNP0502963.0 [0,2,0,0,0,0|1,0,0]=3 984 B6R0.4 CNCCC(C)C CNP0254439.0 [0,2,0,0,0,0|1,0,1]=4 985 B6R0.4 COCC=C(C)C CNP0493784.0 [0,2,0,0,0,0|1,0,0]=3 986 B6R0.4 COCCC(C)C CNP0316382.0 [0,2,0,0,0,0|1,0,1]=4 987 B6R0.4 COCCN(C)C CNP0429553.0 [0,2,0,0,0,0|2,0,0]=4 988 B6R0.4 CSC=CC(=O)N CNP0140289.0 [0,2,0,0,0,0|1,0,1]=4 989 B6R0.4 CSC=CC(=O)O CNP0140653.0 [0,2,0,0,0,0|1,0,1]=4 990 B6R0.4 CSCCC(=O)C CNP0353152.0 [0,2,0,0,0,0|0,0,0]=2 991 B6R0.4 CSCCC(=O)N CNP0220146.0 [0,2,0,0,0,0|1,0,0]=3 992 B6R0.4 CSCCC(=O)O CNP0143779.0 [0,2,0,0,0,0|1,0,0]=3 993 B6R0.4 CSCC[C@@H](C)O CNP0206291.1 [0,2,0,0,0,0|0,0,2]=4 994 B6R0.4 CSCSC(=O)C CNP0232862.0 [0,2,0,0,0,0|0,0,0]=2 995 B6R0.4 CSSC[S@@+](C)[O-] CNP0590331.1 [0,2,0,0,0,0|1,0,1]=4 996 B6R0.4 CSSC[S@@H+](C)[O-] CNP0509730.1 [0,2,0,0,0,0|1,0,1]=4 997 B6R0.4 C[N+]CCC(=O)[O-] CNP0588104.0 [0,2,0,0,0,0|1,0,0]=3 998 B6R0.4 C[S+](C)CCC=O CNP0136791.0 [0,2,0,0,0,0|2,0,0]=4 999 B6R0.4 C[S@+]([O-])CCCN CNP0591601.1 [0,2,0,0,0,0|1,0,1]=4 1000 B6R0.4 C[S@H+]([O-])CCCN CNP0545944.1 [0,2,0,0,0,0|1,0,1]=4 1001 B6R0.4 N=CNCC(=O)O CNP0218776.0 [0,2,0,0,0,0|1,0,1]=4 1002 B6R0.4 NC(=O)CCCO CNP0573523.0 [0,2,0,0,0,0|1,0,0]=3 1003 B6R0.4 NCC=CC(=O)O CNP0250683.0 [0,2,0,0,0,0|1,0,1]=4 1004 B6R0.4 NCCCC(=O)O CNP0116256.0 [0,2,0,0,0,0|1,0,0]=3 1005 B6R0.4 NCCN[N+](=O)[O-] CNP0355337.0 [0,2,0,0,0,0|2,0,0]=4 1006 B6R0.4 O=C(O)C=CCO CNP0097506.0 [0,2,0,0,0,0|1,0,1]=4 1007 B6R0.4 O=C(O)CCCO CNP0236331.0 [0,2,0,0,0,0|1,0,0]=3 1008 B6R0.4 O=C([O-])CCCO CNP0492590.0 [0,2,0,0,0,0|1,0,0]=3 1009 B6R0.4 O=CCCC(=O)O CNP0318740.0 [0,2,0,0,0,0|1,0,0]=3 1010 B6R0.4 O=CNCC(=O)O CNP0082901.0 [0,2,0,0,0,0|1,0,1]=4 1011 B6R0.4 O=S(=O)OCCO CNP0082071.0 [0,2,0,0,0,0|2,0,0]=4 1012 B6R0.4 O=[N+]([O-])CCCO CNP0184942.0 [0,2,0,0,0,0|2,0,0]=4 1013 B6R0.5 C=CCS(=O)(=O)C CNP0075734.0 [0,2,0,0,0,0|1,0,1]=4 1014 B6R0.5 CC(C)(S)CCO CNP0215542.0 [0,2,0,0,0,0|0,1,1]=4 1015 B6R0.5 CCCC(C)(C)C CNP0308764.0 [0,2,0,0,0,0|1,0,1]=4 1016 B6R0.5 CCCC(C)(C)O CNP0258393.0 [0,2,0,0,0,0|0,0,2]=4 1017 B6R0.5 CCC[N+](C)(C)C CNP0523784.0 [0,2,0,0,0,0|2,0,0]=4 1018 B6R0.5 CCOC(C)(C)C CNP0285210.0 [0,2,0,0,0,0|1,0,1]=4 1019 B6R0.5 CCOP(=O)(O)O CNP0147648.0 [0,2,0,0,0,0|2,0,0]=4 1020 B6R0.5 CCOS(=O)(=O)C CNP0401842.0 [0,2,0,0,0,0|1,0,0]=3 1021 B6R0.5 CCOS(=O)(=O)O CNP0264305.0 [0,2,0,0,0,0|2,0,0]=4 1022 B6R0.5 CCSC(C)(C)C CNP0186557.0 [0,2,0,0,0,0|1,0,1]=4 1023 B6R0.5 CSCS(=O)(=O)C CNP0157265.0 [0,2,0,0,0,0|1,0,0]=3 1024 B6R0.5 C[As+](C)(C)CCO CNP0083842.0 [0,2,0,0,0,0|2,0,0]=4 1025 B6R0.5 C[As](=O)(C)CCO CNP0236295.0 [0,2,0,0,0,0|1,0,0]=3 1026 B6R0.5 C[N+](C)(C)CCO CNP0161849.0 [0,2,0,0,0,0|2,0,0]=4 1027 B6R0.5 C[N+](C)(C)CCO CNP0522731.0 [0,2,0,0,0,0|2,0,0]=4 1028 B6R0.5 C[N+](C)(C)CCS CNP0555759.0 [0,2,0,0,0,0|2,0,0]=4 1029 B6R0.5 C[N+](C)([11CH3])CCO CNP0547808.0 [0,2,0,0,0,0|2,0,0]=4 1030 B6R0.5 C[N+](C)([11CH3])CCO CNP0580308.0 [0,2,0,0,0,0|2,0,0]=4 1031 B6R0.5 C[S+](=O)(C)CCO CNP0428132.0 [0,2,0,0,0,0|1,0,0]=3 1032 B6R0.5 NCCP(=O)(O)O CNP0284279.0 [0,2,0,0,0,0|2,0,0]=4 1033 B6R0.5 NCCS(=O)(=O)N CNP0110913.0 [0,2,0,0,0,0|2,0,0]=4 1034 B6R0.5 NCCS(=O)(=O)O CNP0178735.0 [0,2,0,0,0,0|2,0,0]=4 1035 B6R0.5 NCC[S@](=O)(=S)O CNP0018006.1 [0,2,0,0,0,0|2,0,0]=4 1036 B6R0.5 O=P(O)(O)CCBr CNP0439057.0 [0,2,0,0,0,0|2,0,0]=4 1037 B6R0.5 O=P(O)(O)CCCl CNP0610068.0 [0,2,0,0,0,0|2,0,0]=4 1038 B6R0.5 O=P(O)(O)CCO CNP0207938.0 [0,2,0,0,0,0|2,0,0]=4 1039 B6R0.5 O=S(=O)(Cl)CCO CNP0242447.0 [0,2,0,0,0,0|2,0,0]=4 1040 B6R0.5 O=S(=O)(O)CCO CNP0267265.0 [0,2,0,0,0,0|2,0,0]=4 1041 B6R0.5 O=S(=O)(O)CCS CNP0132548.0 [0,2,0,0,0,0|2,0,0]=4 1042 B6R0.8 C=CC(C)(O)CC CNP0352178.0 [0,2,0,0,0,0|0,0,2]=4 1043 B6R0.8 CCC(C)(C)CC CNP0117655.0 [0,2,0,0,0,0|1,0,1]=4 1044 B6R0.8 CCC(C)(C)SC CNP0141733.0 [0,2,0,0,0,0|0,1,1]=4 1045 B6R0.8 CCC(C)(O)CC CNP0314635.0 [0,2,0,0,0,0|0,0,2]=4 1046 B6R0.8 CCC(C)(O)CO CNP0308368.0 [0,2,0,0,0,0|0,0,2]=4 1047 B6R0.8 CC[C@@](C)(O)C#N CNP0366563.1 [0,2,0,0,0,0|0,0,2]=4 1048 B6R0.8 CC[C@](C)(N)C#N CNP0302888.1 [0,2,0,0,0,0|1,0,1]=4 1049 B6R0.8 CC[Si](Cl)(Cl)CC CNP0296955.0 [0,2,0,0,0,0|1,1,0]=4 1050 B6R0.8 COP(=O)(N)SC CNP0341467.0 [0,2,0,0,0,0|2,0,0]=4 1051 B6R0.8 CP(=O)(CO)CO CNP0039491.0 [0,2,0,0,0,0|2,0,0]=4 1052 B6R0.8 CSC(C)(C)C=O CNP0126812.0 [0,2,0,0,0,0|1,0,1]=4 1053 B6R0.9 C=C[C@@H](CC)OC CNP0276971.1 [0,2,0,0,0,0|1,0,1]=4 1054 B6R0.9 CC=C(C=O)CC CNP0086295.0 [0,2,0,0,0,0|0,0,0]=2 1055 B6R0.9 CC=C(CC)CC CNP0246886.0 [0,2,0,0,0,0|1,0,0]=3 1056 B6R0.9 CC=C(CC)CO CNP0059417.0 [0,2,0,0,0,0|0,0,1]=3 1057 B6R0.9 CCC(C#N)CC CNP0152089.0 [0,2,0,0,0,0|1,0,1]=4 1058 B6R0.9 CCC(C=O)CC CNP0353251.0 [0,2,0,0,0,0|0,0,1]=3 1059 B6R0.9 CCC(CC)CC CNP0205695.0 [0,2,0,0,0,0|1,0,1]=4 1060 B6R0.9 CCC(CC)SC CNP0410895.0 [0,2,0,0,0,0|0,1,1]=4 1061 B6R0.9 CCC(OC)OC CNP0171881.0 [0,2,0,0,0,0|0,0,2]=4 1062 B6R0.9 CCN(CC)CC CNP0209343.0 [0,2,0,0,0,0|2,0,0]=4 1063 B6R0.9 CCN(CC)N=O CNP0419123.0 [0,2,0,0,0,0|1,0,0]=3 1064 B6R0.9 CCP(CC)CC CNP0368013.0 [0,2,0,0,0,0|2,0,0]=4 1065 B6R0.9 OCC(=NO)CO CNP0288617.0 [0,2,0,0,0,0|1,0,1]=4 1066 B6R0.7 CC(=O)C(Br)(Br)Br CNP0017934.0 [0,2,0,0,0,0|1,0,0]=3 1067 B6R0.7 CC(=O)C(C)(C)Br CNP0058151.0 [0,2,0,0,0,0|0,0,0]=2 1068 B6R0.7 CC(=O)C(C)(C)O CNP0323322.0 [0,2,0,0,0,0|0,0,0]=2 1069 B6R0.7 CC(=O)C(Cl)(Br)Br CNP0075118.0 [0,2,0,0,0,0|1,0,0]=3 1070 B6R0.7 CC(C)(C)C(=O)Cl CNP0610070.0 [0,2,0,0,0,0|1,0,0]=3 1071 B6R0.7 CC(C)(C)C(=O)O CNP0343251.0 [0,2,0,0,0,0|1,0,0]=3 1072 B6R0.7 CC(C)(Cl)[N+](=O)[O-] CNP0509261.0 [0,2,0,0,0,0|2,0,0]=4 1073 B6R0.7 CC(C)(N)C(=O)O CNP0299823.0 [0,2,0,0,0,0|1,0,0]=3 1074 B6R0.7 CC(C)(O)C(=O)O CNP0230065.0 [0,2,0,0,0,0|1,0,0]=3 1075 B6R0.7 CC(C)C(C)(C)C CNP0107952.0 [0,2,0,0,0,0|1,0,1]=4 1076 B6R0.7 CC(O)C(C)(C)O CNP0491018.0 [0,2,0,0,0,0|0,0,2]=4 1077 B6R0.7 CN(C)P(=O)(C)C CNP0415109.0 [0,2,0,0,0,0|2,0,0]=4 1078 B6R0.7 CN(C)S(=O)(=O)C CNP0085777.0 [0,2,0,0,0,0|2,0,0]=4 1079 B6R0.7 C[C@@H](N)P(=O)(O)O CNP0371160.2 [0,2,0,0,0,0|2,0,0]=4 1080 B6R0.7 C[C@@H](O)S(=O)(=O)O CNP0184679.1 [0,2,0,0,0,0|2,0,0]=4 1081 B6R0.7 C[C@H](N)P(=O)(O)O CNP0371160.1 [0,2,0,0,0,0|2,0,0]=4 1082 B6R0.7 NC(=O)C(Br)(Br)Br CNP0186208.0 [0,2,0,0,0,0|2,0,0]=4 1083 B6R0.7 NC(=O)C(Cl)(Cl)Cl CNP0023989.0 [0,2,0,0,0,0|2,0,0]=4 1084 B6R0.7 O=C(O)C(Br)(Br)Br CNP0082210.0 [0,2,0,0,0,0|2,0,0]=4 1085 B6R0.7 O=C(O)C(Cl)(Cl)Cl CNP0083486.0 [0,2,0,0,0,0|2,0,0]=4 1086 B4R1.1 C1=COC1 CNP0610072.0 [1,0,0,1,0,0|0,0,2]=4 1087 B4R1.1 C1CCC1 CNP0580344.0 [1,0,0,1,0,0|0,0,1]=3 1088 B4R1.1 C1CSC1 CNP0598686.0 [1,0,0,1,0,0|1,0,0]=3 1089 B4R1.2 CC1=CC1 CNP0610335.0 [1,0,0,1,0,0|0,0,1]=3 1090 B4R1.2 CC1CC1 CNP0597751.0 [1,0,0,1,0,0|0,0,1]=3 1091 B4R1.2 CC1CN1 CNP0565195.0 [1,0,0,1,0,0|1,0,0]=3 1092 B4R1.2 CC1CO1 CNP0586888.0 [1,0,0,1,0,0|1,0,0]=3 1093 B4R1.2 CC1CS1 CNP0482664.0 [1,0,0,1,0,0|1,0,0]=3 1094 B4R1.2 C[C@H]1CS1 CNP0482664.1 [1,0,0,1,0,0|1,0,0]=3 1095 B4R1.2 NC1CC1 CNP0519928.0 [1,0,0,1,0,0|1,0,1]=4 1096 B6R1.2 C=C1C=CCC1 CNP0269204.0 [0,1,0,1,0,0|1,0,1]=4 1097 B6R1.2 C=C1CCCC1 CNP0338602.0 [0,1,0,1,0,0|1,0,0]=3 1098 B6R1.2 CC1=CCCC1 CNP0610106.0 [0,1,0,1,0,0|1,0,0]=3 1099 B6R1.2 CC1=CCCS1 CNP0003101.0 [0,1,0,1,0,0|0,1,0]=3 1100 B6R1.2 CC1=CCOC1 CNP0516552.0 [0,1,0,1,0,0|1,0,0]=3 1101 B6R1.2 CC1=CCSS1 CNP0166363.0 [0,1,0,1,0,0|0,1,1]=4 1102 B6R1.2 CC1=COCC1 CNP0002470.0 [0,1,0,1,0,0|0,0,1]=3 1103 B6R1.2 CC1=CSSC1 CNP0310441.0 [0,1,0,1,0,0|1,1,0]=4 1104 B6R1.2 CC1=NCCO1 CNP0601624.0 [0,1,0,1,0,0|0,0,1]=3 1105 B6R1.2 CC1=NCCS1 CNP0225264.0 [0,1,0,1,0,0|0,1,0]=3 1106 B6R1.2 CC1=NCSC1 CNP0134706.0 [0,1,0,1,0,0|1,0,0]=3 1107 B6R1.2 CC1CCCC1 CNP0194612.0 [0,1,0,1,0,0|1,0,1]=4 1108 B6R1.2 CC1CCCO1 CNP0502439.0 [0,1,0,1,0,0|0,0,2]=4 1109 B6R1.2 CC1OCCO1 CNP0611683.0 [0,1,0,1,0,0|0,0,2]=4 1110 B6R1.2 CC1SCCS1 CNP0002932.0 [0,1,0,1,0,0|0,1,1]=4 1111 B6R1.2 CN1CCCC1 CNP0395436.0 [0,1,0,1,0,0|2,0,0]=4 1112 B6R1.2 C[C@@H]1CCCN1 CNP0080827.1 [0,1,0,1,0,0|1,0,1]=4 1113 B6R1.2 C[C@@H]1CCSC1 CNP0174337.1 [0,1,0,1,0,0|0,1,1]=4 1114 B6R1.2 C[C@H]1NCCS1 CNP0150573.1 [0,1,0,1,0,0|0,1,1]=4 1115 B6R1.2 C[N+]1=CCCC1 CNP0251573.0 [0,1,0,1,0,0|2,0,0]=4 1116 B6R1.2 NC1=NCCS1 CNP0490176.0 [0,1,0,1,0,0|1,1,0]=4 1117 B6R1.2 NN1CCCC1 CNP0577233.0 [0,1,0,1,0,0|2,0,0]=4 1118 B6R1.2 O=C1C=CCC1 CNP0122561.0 [0,1,0,1,0,0|0,0,1]=3 1119 B6R1.2 O=C1C=CCO1 CNP0253714.0 [0,1,0,1,0,0|0,0,2]=4 1120 B6R1.2 O=C1CC=CO1 CNP0494071.0 [0,1,0,1,0,0|0,0,2]=4 1121 B6R1.2 O=C1CCCC1 CNP0287963.0 [0,1,0,1,0,0|0,0,0]=2 1122 B6R1.2 O=C1CCCN1 CNP0127855.0 [0,1,0,1,0,0|0,0,0]=2 1123 B6R1.2 O=C1CCCO1 CNP0315299.0 [0,1,0,1,0,0|0,0,0]=2 1124 B6R1.2 O=C1CCCS1 CNP0084584.0 [0,1,0,1,0,0|0,0,0]=2 1125 B6R1.2 O=C1CCNN1 CNP0035182.0 [0,1,0,1,0,0|1,0,0]=3 1126 B6R1.2 O=C1CCOC1 CNP0051503.0 [0,1,0,1,0,0|0,0,0]=2 1127 B6R1.2 O=C1CCON1 CNP0325381.0 [0,1,0,1,0,0|1,0,0]=3 1128 B6R1.2 O=C1CCSC1 CNP0003522.0 [0,1,0,1,0,0|0,0,0]=2 1129 B6R1.2 O=C1CN=CN1 CNP0321519.0 [0,1,0,1,0,0|1,0,1]=4 1130 B6R1.2 O=C1NCCO1 CNP0064744.0 [0,1,0,1,0,0|1,0,0]=3 1131 B6R1.2 OC1=NCCC1 CNP0485346.0 [0,1,0,1,0,0|0,0,1]=3 1132 B6R1.2 OC1=NOCC1 CNP0504784.0 [0,1,0,1,0,0|1,0,1]=4 1133 B6R1.2 OC1CCCC1 CNP0085994.0 [0,1,0,1,0,0|0,0,2]=4 1134 B6R1.2 S=C1NCCN1 CNP0310090.0 [0,1,0,1,0,0|1,1,0]=4 1135 B6R1.2 S=C1NCCO1 CNP0275785.0 [0,1,0,1,0,0|1,0,1]=4 1136 B6R1.2 SC1=NCCO1 CNP0580429.0 [0,1,0,1,0,0|1,0,1]=4 1137 B6R1.2 SC1CCCC1 CNP0280825.0 [0,1,0,1,0,0|0,1,1]=4 1138 B6R1.2 SC1CCCS1 CNP0002503.0 [0,1,0,1,0,0|0,1,1]=4 1139 B6R1.2 [O-][N+]1=CCCC1 CNP0558986.0 [0,1,0,1,0,0|1,0,1]=4 1140 B6R1.3 CCCC1CC1 CNP0506060.0 [0,1,0,1,0,0|1,0,1]=4 1141 B6R1.3 NCCN1CC1 CNP0522628.0 [0,1,0,1,0,0|2,0,0]=4 1142 B6R1.5 C[C@H]1CC(=O)O1 CNP0232064.1 [0,1,0,1,0,0|0,0,0]=2 1143 B6R1.5 O=C1C[C@@H](O1)O CNP0300715.1 [0,1,0,1,0,0|1,0,0]=3 1144 B6R1.8 CC[C@@H]1C[C@@H]1C CNP0076250.1 [0,1,0,1,0,0|1,0,1]=4 1145 B6R1.8 O=C1C=C1CO CNP0214079.0 [0,1,0,1,0,0|0,0,2]=4 1146 B6R1.8 O=C1CC1CO CNP0073765.0 [0,1,0,1,0,0|0,0,0]=2 1147 B6R1.9 CC1CC1(C)C CNP0507743.0 [0,1,0,1,0,0|1,0,1]=4 1148 B6R1.10 CC1(CCO1)C CNP0252865.0 [0,1,0,1,0,0|0,0,2]=4 1149 B6R1.10 CC1(CCS1)C CNP0181332.0 [0,1,0,1,0,0|0,1,1]=4 1150 B6R1.4 C[C@@H]1CCC1=O CNP0253900.1 [0,1,0,1,0,0|0,0,0]=2 1151 B6R1.4 C[C@H]1CS[C@@H]1C CNP0207395.1 [0,1,0,1,0,0|0,1,1]=4 1152 B6R1.12 C=C1C(=O)[C@@H]1O CNP0264596.1 [0,1,0,1,0,0|0,0,2]=4