0 B4R0.1 C#CC(=C)C CNP0599820.0 [0,0,0,0,0,0|1,0,3]=4 1 B4R0.1 C#CC(=O)O CNP0579203.0 [0,0,0,0,0,0|1,0,3]=4 2 B4R0.1 C#CC(C)C CNP0586699.0 [0,0,0,0,0,0|1,0,2]=3 3 B4R0.1 C=C(Br)CO CNP0506207.0 [0,0,0,0,0,0|2,0,2]=4 4 B4R0.1 C=C(C)C#N CNP0560504.0 [0,0,0,0,0,0|2,0,2]=4 5 B4R0.1 C=C(C)C=O CNP0479149.0 [0,0,0,0,0,0|2,0,2]=4 6 B4R0.1 C=C(C)CC CNP0605035.0 [0,0,0,0,0,0|1,0,1]=2 7 B4R0.1 C=C(C)CO CNP0505353.0 [0,0,0,0,0,0|2,0,1]=3 8 B4R0.1 C=C(O)C=O CNP0542377.0 [0,0,0,0,0,0|1,0,3]=4 9 B4R0.1 C=CC(=C)C CNP0489519.0 [0,0,0,0,0,0|1,0,3]=4 10 B4R0.1 C=CC(=O)C CNP0571315.0 [0,0,0,0,0,0|0,0,4]=4 11 B4R0.1 C=CC(=O)O CNP0590547.0 [0,0,0,0,0,0|1,0,3]=4 12 B4R0.1 C=CC(C)C CNP0589769.0 [0,0,0,0,0,0|1,0,2]=3 13 B4R0.1 C=C[C@@H](C)O CNP0512445.2 [0,0,0,0,0,0|0,0,2]=2 14 B4R0.1 C=C[C@H](C)O CNP0512445.1 [0,0,0,0,0,0|0,0,2]=2 15 B4R0.1 CC(=NO)C CNP0591673.0 [0,0,0,0,0,0|3,0,1]=4 16 B4R0.1 CC(=O)C#N CNP0551952.0 [0,0,0,0,0,0|1,0,3]=4 17 B4R0.1 CC(=O)C=O CNP0574322.0 [0,0,0,0,0,0|1,0,3]=4 18 B4R0.1 CC(=O)CBr CNP0602861.0 [0,0,0,0,0,0|1,0,2]=3 19 B4R0.1 CC(=O)CI CNP0515381.0 [0,0,0,0,0,0|1,0,2]=3 20 B4R0.1 CC(=O)CN CNP0602829.0 [0,0,0,0,0,0|1,0,2]=3 21 B4R0.1 CC(=O)CO CNP0487266.0 [0,0,0,0,0,0|1,0,2]=3 22 B4R0.1 CC(=O)CS CNP0514893.0 [0,0,0,0,0,0|1,0,2]=3 23 B4R0.1 CC(=O)N=N CNP0591627.0 [0,0,0,0,0,0|2,0,2]=4 24 B4R0.1 CC(=O)NN CNP0503904.0 [0,0,0,0,0,0|2,0,2]=4 25 B4R0.1 CC(=O)NO CNP0518042.0 [0,0,0,0,0,0|2,0,2]=4 26 B4R0.1 CC(=O)OO CNP0491052.0 [0,0,0,0,0,0|2,0,2]=4 27 B4R0.1 CC(=O)O[Hg+] CNP0504265.0 [0,0,0,0,0,0|2,0,2]=4 28 B4R0.1 CC(C)C=O CNP0511471.0 [0,0,0,0,0,0|2,0,1]=3 29 B4R0.1 CC(C)C=[17O] CNP0484940.0 [0,0,0,0,0,0|2,0,1]=3 30 B4R0.1 CC(C)CN CNP0490050.0 [0,0,0,0,0,0|2,0,0]=2 31 B4R0.1 CC(C)CO CNP0493868.0 [0,0,0,0,0,0|2,0,0]=2 32 B4R0.1 CC(C)CS CNP0494383.0 [0,0,0,0,0,0|2,0,0]=2 33 B4R0.1 CC(N)C#N CNP0567528.0 [0,0,0,0,0,0|2,0,1]=3 34 B4R0.1 CC(N)C=O CNP0531209.0 [0,0,0,0,0,0|2,0,1]=3 35 B4R0.1 CC(N)CN CNP0579261.0 [0,0,0,0,0,0|2,0,0]=2 36 B4R0.1 CC(S)CS CNP0488983.0 [0,0,0,0,0,0|1,1,0]=2 37 B4R0.1 CC=C(C)C CNP0502707.0 [0,0,0,0,0,0|1,0,2]=3 38 B4R0.1 CCC(=N)S CNP0544659.0 [0,0,0,0,0,0|1,1,1]=3 39 B4R0.1 CCC(=O)Br CNP0583620.0 [0,0,0,0,0,0|1,0,2]=3 40 B4R0.1 CCC(=O)C CNP0486447.0 [0,0,0,0,0,0|0,0,2]=2 41 B4R0.1 CCC(=O)Cl CNP0502198.0 [0,0,0,0,0,0|1,0,2]=3 42 B4R0.1 CCC(=O)I CNP0549008.0 [0,0,0,0,0,0|1,0,2]=3 43 B4R0.1 CCC(=O)N CNP0512752.0 [0,0,0,0,0,0|1,0,2]=3 44 B4R0.1 CCC(=O)O CNP0572679.0 [0,0,0,0,0,0|1,0,1]=2 45 B4R0.1 CCC(=O)[O-] CNP0505645.0 [0,0,0,0,0,0|1,0,2]=3 46 B4R0.1 CCC(=O)[O-] CNP0584211.0 [0,0,0,0,0,0|1,0,2]=3 47 B4R0.1 CCC(=O)[O-] CNP0604604.0 [0,0,0,0,0,0|1,0,2]=3 48 B4R0.1 CCC(C)C CNP0492867.0 [0,0,0,0,0,0|1,0,0]=1 49 B4R0.1 CCC(C)N CNP0520467.0 [0,0,0,0,0,0|1,0,0]=1 50 B4R0.1 CCC(O)O CNP0533578.0 [0,0,0,0,0,0|1,0,0]=1 51 B4R0.1 CCC(O)S CNP0612126.0 [0,0,0,0,0,0|1,0,0]=1 52 B4R0.1 CC[C@@H](C)O CNP0577352.1 [0,0,0,0,0,0|0,0,0]=0 53 B4R0.1 CC[C@@H](C)S CNP0572211.1 [0,0,0,0,0,0|0,1,0]=1 54 B4R0.1 CC[C@H](C)O CNP0577352.2 [0,0,0,0,0,0|0,0,0]=0 55 B4R0.1 CN(C)C=O CNP0566193.0 [0,0,0,0,0,0|3,0,1]=4 56 B4R0.1 CN(C)C=S CNP0516551.0 [0,0,0,0,0,0|3,0,1]=4 57 B4R0.1 CN(C)N=O CNP0503536.0 [0,0,0,0,0,0|4,0,0]=4 58 B4R0.1 CN(N)C=O CNP0593819.0 [0,0,0,0,0,0|3,0,1]=4 59 B4R0.1 CN(O)C=S CNP0483835.0 [0,0,0,0,0,0|2,0,1]=3 60 B4R0.1 CN=C(N)N CNP0588415.0 [0,0,0,0,0,0|3,0,1]=4 61 B4R0.1 CNC(=N)N CNP0590894.0 [0,0,0,0,0,0|3,0,1]=4 62 B4R0.1 CNC(=O)C CNP0491397.0 [0,0,0,0,0,0|1,0,2]=3 63 B4R0.1 CNC(=O)N CNP0576116.0 [0,0,0,0,0,0|2,0,2]=4 64 B4R0.1 CNC(=O)O CNP0594440.0 [0,0,0,0,0,0|2,0,1]=3 65 B4R0.1 CNC(=S)N CNP0572685.0 [0,0,0,0,0,0|2,1,1]=4 66 B4R0.1 CNC(=S)S CNP0524147.0 [0,0,0,0,0,0|2,1,1]=4 67 B4R0.1 CNC(C)C CNP0489071.0 [0,0,0,0,0,0|2,0,0]=2 68 B4R0.1 COC(=O)C CNP0578880.0 [0,0,0,0,0,0|1,0,2]=3 69 B4R0.1 COC(=O)N CNP0575874.0 [0,0,0,0,0,0|2,0,2]=4 70 B4R0.1 CSC(=N)N CNP0572889.0 [0,0,0,0,0,0|3,0,1]=4 71 B4R0.1 CSC(=O)C CNP0491622.0 [0,0,0,0,0,0|1,0,2]=3 72 B4R0.1 CSC(C)C CNP0486491.0 [0,0,0,0,0,0|2,0,0]=2 73 B4R0.1 CSC(C)S CNP0497634.0 [0,0,0,0,0,0|1,1,0]=2 74 B4R0.1 CS[S@@+](C)[O-] CNP0525842.1 [0,0,0,0,0,0|2,0,1]=3 75 B4R0.1 CS[S@@H+](C)[O-] CNP0579172.1 [0,0,0,0,0,0|2,0,1]=3 76 B4R0.1 C[C@@H](Cl)CCl CNP0573757.1 [0,0,0,0,0,0|2,0,0]=2 77 B4R0.1 C[C@@H](N)CO CNP0589695.1 [0,0,0,0,0,0|2,0,0]=2 78 B4R0.1 C[C@@H](O)C#N CNP0491457.1 [0,0,0,0,0,0|1,0,1]=2 79 B4R0.1 C[C@@H](O)C=O CNP0482941.1 [0,0,0,0,0,0|1,0,1]=2 80 B4R0.1 C[C@@H](O)CO CNP0522839.2 [0,0,0,0,0,0|1,0,0]=1 81 B4R0.1 C[C@H](N)CO CNP0589695.2 [0,0,0,0,0,0|2,0,0]=2 82 B4R0.1 C[C@H](O)C=O CNP0482941.2 [0,0,0,0,0,0|1,0,1]=2 83 B4R0.1 C[C@H](O)CBr CNP0593715.1 [0,0,0,0,0,0|1,0,0]=1 84 B4R0.1 C[C@H](O)CN CNP0571248.1 [0,0,0,0,0,0|1,0,0]=1 85 B4R0.1 C[C@H](O)CO CNP0522839.1 [0,0,0,0,0,0|1,0,0]=1 86 B4R0.1 C[C](C)C=O CNP0568847.0 [0,0,0,0,0,0|2,0,2]=4 87 B4R0.1 ClCC(Cl)Cl CNP0506621.0 [0,0,0,0,0,0|3,0,0]=3 88 B4R0.1 N#CC(Br)Br CNP0587033.0 [0,0,0,0,0,0|3,0,1]=4 89 B4R0.1 N#C[C@@H](Cl)Br CNP0498573.1 [0,0,0,0,0,0|3,0,1]=4 90 B4R0.1 N#C[S](O)O CNP0503923.0 [0,0,0,0,0,0|3,0,1]=4 91 B4R0.1 N=CC(=O)O CNP0521453.0 [0,0,0,0,0,0|2,0,2]=4 92 B4R0.1 NC(=O)CCl CNP0572781.0 [0,0,0,0,0,0|2,0,2]=4 93 B4R0.1 NC(=O)CI CNP0573172.0 [0,0,0,0,0,0|2,0,2]=4 94 B4R0.1 NC(=O)CO CNP0610142.0 [0,0,0,0,0,0|2,0,2]=4 95 B4R0.1 NCC(=O)N CNP0542212.0 [0,0,0,0,0,0|2,0,2]=4 96 B4R0.1 NCC(=O)O CNP0563879.0 [0,0,0,0,0,0|2,0,1]=3 97 B4R0.1 NCC(=O)[O] CNP0605168.0 [0,0,0,0,0,0|2,0,2]=4 98 B4R0.1 O=C(Cl)CCl CNP0491057.0 [0,0,0,0,0,0|2,0,2]=4 99 B4R0.1 O=C(Cl)CI CNP0533753.0 [0,0,0,0,0,0|2,0,2]=4 100 B4R0.1 O=C(O)CBr CNP0605480.0 [0,0,0,0,0,0|2,0,1]=3 101 B4R0.1 O=C(O)CCl CNP0514898.0 [0,0,0,0,0,0|2,0,1]=3 102 B4R0.1 O=C(O)CI CNP0542117.0 [0,0,0,0,0,0|2,0,1]=3 103 B4R0.1 O=C(O)CO CNP0564020.0 [0,0,0,0,0,0|2,0,1]=3 104 B4R0.1 O=C(O)CS CNP0502399.0 [0,0,0,0,0,0|2,0,1]=3 105 B4R0.1 O=CC(=O)O CNP0571230.0 [0,0,0,0,0,0|2,0,2]=4 106 B4R0.1 O=CC(Br)Br CNP0551465.0 [0,0,0,0,0,0|3,0,1]=4 107 B4R0.1 O=CC(Cl)Cl CNP0500598.0 [0,0,0,0,0,0|3,0,1]=4 108 B4R0.1 OCC(Cl)Cl CNP0479097.0 [0,0,0,0,0,0|3,0,0]=3 109 B4R0.1 O[C@@H](Cl)CBr CNP0538567.1 [0,0,0,0,0,0|2,0,0]=2 110 B3R0.1 BrCCBr CNP0591557.0 [1,0,0,0,0,0|2,0,0]=3 111 B3R0.1 BrCCI CNP0495630.0 [1,0,0,0,0,0|2,0,0]=3 112 B3R0.1 C#CCC CNP0509561.0 [1,0,0,0,0,0|0,0,2]=3 113 B3R0.1 C#CCO CNP0488604.0 [1,0,0,0,0,0|0,0,2]=3 114 B3R0.1 C#[N+]CC CNP0559170.0 [1,0,0,0,0,0|1,0,1]=3 115 B3R0.1 C=C=CC CNP0584937.0 [1,0,0,0,0,0|0,0,3]=4 116 B3R0.1 C=CCC CNP0490956.0 [1,0,0,0,0,0|0,0,2]=3 117 B3R0.1 C=CCN CNP0585503.0 [1,0,0,0,0,0|1,0,2]=4 118 B3R0.1 C=CCO CNP0561492.0 [1,0,0,0,0,0|0,0,2]=3 119 B3R0.1 C=CCS CNP0575677.0 [1,0,0,0,0,0|0,1,2]=4 120 B3R0.1 C=COC CNP0611794.0 [1,0,0,0,0,0|1,0,2]=4 121 B3R0.1 CC#CC CNP0556029.0 [1,0,0,0,0,0|0,0,2]=3 122 B3R0.1 CC=CBr CNP0509639.0 [1,0,0,0,0,0|1,0,2]=4 123 B3R0.1 CC=CC CNP0597271.0 [1,0,0,0,0,0|0,0,2]=3 124 B3R0.1 CC=CS CNP0589530.0 [1,0,0,0,0,0|0,1,2]=4 125 B3R0.1 CC=NO CNP0512137.0 [1,0,0,0,0,0|1,0,1]=3 126 B3R0.1 CC=[N+]=[N-] CNP0532727.0 [1,0,0,0,0,0|2,0,1]=4 127 B3R0.1 CCC#N CNP0564998.0 [1,0,0,0,0,0|1,0,1]=3 128 B3R0.1 CCC=O CNP0570013.0 [1,0,0,0,0,0|0,0,2]=3 129 B3R0.1 CCC=S CNP0546828.0 [1,0,0,0,0,0|0,1,1]=3 130 B3R0.1 CCCBr CNP0561445.0 [1,0,0,0,0,0|1,0,0]=2 131 B3R0.1 CCCC CNP0597736.0 [1,0,0,0,0,0|0,0,0]=1 132 B3R0.1 CCCI CNP0596010.0 [1,0,0,0,0,0|1,0,0]=2 133 B3R0.1 CCCN CNP0600530.0 [1,0,0,0,0,0|1,0,0]=2 134 B3R0.1 CCCO CNP0605151.0 [1,0,0,0,0,0|0,0,0]=1 135 B3R0.1 CCCS CNP0572992.0 [1,0,0,0,0,0|0,1,0]=2 136 B3R0.1 CCN=O CNP0552947.0 [1,0,0,0,0,0|1,0,1]=3 137 B3R0.1 CCNC CNP0563252.0 [1,0,0,0,0,0|1,0,0]=2 138 B3R0.1 CCOC CNP0484105.0 [1,0,0,0,0,0|1,0,0]=2 139 B3R0.1 CCOO CNP0591807.0 [1,0,0,0,0,0|1,0,0]=2 140 B3R0.1 CCSC CNP0596541.0 [1,0,0,0,0,0|1,0,0]=2 141 B3R0.1 CCSO CNP0559716.0 [1,0,0,0,0,0|1,0,0]=2 142 B3R0.1 CN=C=O CNP0542197.0 [1,0,0,0,0,0|1,0,2]=4 143 B3R0.1 CN=C=S CNP0601890.0 [1,0,0,0,0,0|1,1,1]=4 144 B3R0.1 CNC=O CNP0565671.0 [1,0,0,0,0,0|1,0,2]=4 145 B3R0.1 CNNC CNP0493834.0 [1,0,0,0,0,0|2,0,0]=3 146 B3R0.1 COC=O CNP0494242.0 [1,0,0,0,0,0|1,0,2]=4 147 B3R0.1 COOC CNP0610139.0 [1,0,0,0,0,0|2,0,0]=3 148 B3R0.1 CSC#N CNP0493602.0 [1,0,0,0,0,0|2,0,1]=4 149 B3R0.1 CSSC CNP0600942.0 [1,0,0,0,0,0|2,0,0]=3 150 B3R0.1 C[Se][Se]C CNP0508246.0 [1,0,0,0,0,0|2,0,0]=3 151 B3R0.1 ClCCBr CNP0493040.0 [1,0,0,0,0,0|2,0,0]=3 152 B3R0.1 ClCCCl CNP0592018.0 [1,0,0,0,0,0|2,0,0]=3 153 B3R0.1 N#CCI CNP0547629.0 [1,0,0,0,0,0|2,0,1]=4 154 B3R0.1 N#CCS CNP0566385.0 [1,0,0,0,0,0|1,1,1]=4 155 B3R0.1 N#CSO CNP0569271.0 [1,0,0,0,0,0|2,0,1]=4 156 B3R0.1 N=CCN CNP0547283.0 [1,0,0,0,0,0|2,0,1]=4 157 B3R0.1 NCC=O CNP0566697.0 [1,0,0,0,0,0|1,0,2]=4 158 B3R0.1 NCCN CNP0531974.0 [1,0,0,0,0,0|2,0,0]=3 159 B3R0.1 NCCO CNP0581653.0 [1,0,0,0,0,0|1,0,0]=2 160 B3R0.1 NCCS CNP0490978.0 [1,0,0,0,0,0|1,1,0]=3 161 B3R0.1 NCC[O] CNP0586934.0 [1,0,0,0,0,0|1,0,1]=3 162 B3R0.1 O=BOO CNP0541096.0 [1,0,0,0,0,0|3,0,0]=4 163 B3R0.1 O=CCBr CNP0516788.0 [1,0,0,0,0,0|1,0,2]=4 164 B3R0.1 O=CCO CNP0600524.0 [1,0,0,0,0,0|1,0,1]=3 165 B3R0.1 O=CCS CNP0591045.0 [1,0,0,0,0,0|1,0,2]=4 166 B3R0.1 O=NOO CNP0508221.0 [1,0,0,0,0,0|3,0,0]=4 167 B3R0.1 OC=CO CNP0508859.0 [1,0,0,0,0,0|1,0,2]=4 168 B3R0.1 OCCCl CNP0532317.0 [1,0,0,0,0,0|1,0,0]=2 169 B3R0.1 OCCI CNP0489668.0 [1,0,0,0,0,0|1,0,0]=2 170 B3R0.1 OCCO CNP0484938.0 [1,0,0,0,0,0|1,0,0]=2 171 B3R0.1 OCCS CNP0576505.0 [1,0,0,0,0,0|1,0,0]=2 172 B3R0.1 SCCS CNP0506336.0 [1,0,0,0,0,0|1,1,0]=3 173 B3R0.2 BrC(Br)Br CNP0524050.0 [1,0,0,0,0,0|3,0,0]=4 174 B3R0.2 BrC(Br)I CNP0520248.0 [1,0,0,0,0,0|3,0,0]=4 175 B3R0.2 BrC(I)I CNP0514657.0 [1,0,0,0,0,0|3,0,0]=4 176 B3R0.2 C=C(C)C CNP0512482.0 [1,0,0,0,0,0|1,0,1]=3 177 B3R0.2 C=C(C)O CNP0514997.0 [1,0,0,0,0,0|0,0,2]=3 178 B3R0.2 CC(=N)S CNP0537692.0 [1,0,0,0,0,0|1,1,1]=4 179 B3R0.2 CC(=O)C CNP0572494.0 [1,0,0,0,0,0|0,0,2]=3 180 B3R0.2 CC(=O)Cl CNP0537278.0 [1,0,0,0,0,0|1,0,2]=4 181 B3R0.2 CC(=O)N CNP0570171.0 [1,0,0,0,0,0|1,0,2]=4 182 B3R0.2 CC(=O)O CNP0495539.0 [1,0,0,0,0,0|1,0,1]=3 183 B3R0.2 CC(=O)[O-] CNP0505268.0 [1,0,0,0,0,0|1,0,2]=4 184 B3R0.2 CC(=S)N CNP0579768.0 [1,0,0,0,0,0|1,1,1]=4 185 B3R0.2 CC(C)C CNP0580677.0 [1,0,0,0,0,0|1,0,0]=2 186 B3R0.2 CC(C)I CNP0515098.0 [1,0,0,0,0,0|1,0,0]=2 187 B3R0.2 CC(C)N CNP0574231.0 [1,0,0,0,0,0|1,0,0]=2 188 B3R0.2 CC(C)O CNP0603430.0 [1,0,0,0,0,0|0,0,0]=1 189 B3R0.2 CC(C)S CNP0483016.0 [1,0,0,0,0,0|0,1,0]=2 190 B3R0.2 CN(C)C CNP0522907.0 [1,0,0,0,0,0|2,0,0]=3 191 B3R0.2 CN(C)N CNP0573264.0 [1,0,0,0,0,0|2,0,0]=3 192 B3R0.2 CP(=O)O CNP0480086.0 [1,0,0,0,0,0|2,0,0]=3 193 B3R0.2 CP(C)C CNP0586622.0 [1,0,0,0,0,0|2,0,0]=3 194 B3R0.2 CS(=S)O CNP0609306.0 [1,0,0,0,0,0|2,0,0]=3 195 B3R0.2 C[As](C)C CNP0539997.0 [1,0,0,0,0,0|2,0,0]=3 196 B3R0.2 C[As](C)O CNP0541907.0 [1,0,0,0,0,0|1,0,0]=2 197 B3R0.2 C[As](O)O CNP0579708.0 [1,0,0,0,0,0|2,0,0]=3 198 B3R0.2 C[N+](=N)[O-] CNP0532542.0 [1,0,0,0,0,0|2,0,1]=4 199 B3R0.2 C[S+](C)C CNP0555694.0 [1,0,0,0,0,0|2,0,0]=3 200 B3R0.2 C[S+](C)[O-] CNP0499675.0 [1,0,0,0,0,0|1,0,1]=3 201 B3R0.2 C[Se+](C)C CNP0504179.0 [1,0,0,0,0,0|2,0,0]=3 202 B3R0.2 C[SeH2](=[Se])C CNP0610734.0 [1,0,0,0,0,0|1,1,0]=3 203 B3R0.2 C[SeH](C)[SeH] CNP0608908.0 [1,0,0,0,0,0|1,1,0]=3 204 B3R0.2 C[Se](=O)O CNP0501647.0 [1,0,0,0,0,0|2,0,0]=3 205 B3R0.2 ClC(Br)Br CNP0573891.0 [1,0,0,0,0,0|3,0,0]=4 206 B3R0.2 ClC(Cl)Br CNP0524174.0 [1,0,0,0,0,0|3,0,0]=4 207 B3R0.2 ClC(Cl)Cl CNP0479643.0 [1,0,0,0,0,0|3,0,0]=4 208 B3R0.2 Cl[C@@H](Br)I CNP0538147.2 [1,0,0,0,0,0|3,0,0]=4 209 B3R0.2 Cl[C@H](Br)I CNP0538147.1 [1,0,0,0,0,0|3,0,0]=4 210 B3R0.2 IC(I)I CNP0599207.0 [1,0,0,0,0,0|3,0,0]=4 211 B3R0.2 NC(=O)O CNP0575336.0 [1,0,0,0,0,0|2,0,1]=4 212 B3R0.2 O=C(O)O CNP0491655.0 [1,0,0,0,0,0|2,0,1]=4 213 B3R0.2 O=C(O)P CNP0562466.0 [1,0,0,0,0,0|2,0,1]=4 214 B3R0.2 O=P(O)O CNP0517495.0 [1,0,0,0,0,0|3,0,0]=4 215 B3R0.2 O=S(=O)O CNP0578309.0 [1,0,0,0,0,0|3,0,0]=4 216 B3R0.2 O=S(O)O CNP0520227.0 [1,0,0,0,0,0|3,0,0]=4 217 B3R0.2 O=[Mo+6](O)O CNP0512146.0 [1,0,0,0,0,0|3,0,0]=4 218 B3R0.2 O=[N+]([O-])O CNP0534371.0 [1,0,0,0,0,0|3,0,0]=4 219 B3R0.2 O=[Se](O)O CNP0605088.0 [1,0,0,0,0,0|3,0,0]=4 220 B3R0.2 O=[Si](O)O CNP0567325.0 [1,0,0,0,0,0|2,1,0]=4 221 B3R0.2 OB(O)O CNP0568939.0 [1,0,0,0,0,0|3,0,0]=4 222 B3R0.2 OC(O)O CNP0594478.0 [1,0,0,0,0,0|2,0,0]=3 223 B3R0.2 O[As](O)O CNP0559543.0 [1,0,0,0,0,0|3,0,0]=4 224 B3R0.2 O[Sb](O)O CNP0536687.0 [1,0,0,0,0,0|3,0,0]=4 225 B3R0.2 O[Zn-](O)O CNP0493920.0 [1,0,0,0,0,0|3,0,0]=4 226 B3R0.2 [CH2]C(C)C CNP0571096.0 [1,0,0,0,0,0|1,0,0]=2 227 B3R0.2 [O-][Br+2]([O-])O CNP0595435.0 [1,0,0,0,0,0|3,0,0]=4 228 B3R0.2 [O-][Cl+2]([O-])O CNP0497451.0 [1,0,0,0,0,0|3,0,0]=4 229 B3R0.2 [O-][I+2]([O-])O CNP0595098.0 [1,0,0,0,0,0|3,0,0]=4 230 B5R0.1 C#CCC(=O)O CNP0049385.0 [0,1,0,0,0,0|1,0,2]=4 231 B5R0.1 C=C(Br)CCO CNP0595001.0 [0,1,0,0,0,0|1,0,2]=4 232 B5R0.1 C=C(C)C=CC CNP0348667.0 [0,1,0,0,0,0|1,0,2]=4 233 B5R0.1 C=C(C)CCC CNP0179329.0 [0,1,0,0,0,0|1,0,1]=3 234 B5R0.1 C=C(C)CCO CNP0285127.0 [0,1,0,0,0,0|1,0,1]=3 235 B5R0.1 C=C(O)CCC CNP0003382.0 [0,1,0,0,0,0|0,0,2]=3 236 B5R0.1 C=CCC(=O)C CNP0385825.0 [0,1,0,0,0,0|0,0,3]=4 237 B5R0.1 C=CCC(=O)O CNP0172155.0 [0,1,0,0,0,0|1,0,2]=4 238 B5R0.1 C=CCC(C)C CNP0293683.0 [0,1,0,0,0,0|1,0,1]=3 239 B5R0.1 C=CCC(C)O CNP0594112.0 [0,1,0,0,0,0|0,0,1]=2 240 B5R0.1 C=CCS(=S)O CNP0533091.0 [0,1,0,0,0,0|2,0,1]=4 241 B5R0.1 C=CC[S@+](C)[O-] CNP0483153.2 [0,1,0,0,0,0|1,0,2]=4 242 B5R0.1 C=CC[S@@+](C)[O-] CNP0483153.1 [0,1,0,0,0,0|1,0,2]=4 243 B5R0.1 C=COC(C)C CNP0491165.0 [0,1,0,0,0,0|1,0,2]=4 244 B5R0.1 CC(=CCO)C CNP0241702.0 [0,1,0,0,0,0|1,0,2]=4 245 B5R0.1 CC(=CCS)C CNP0262600.0 [0,1,0,0,0,0|1,0,2]=4 246 B5R0.1 CC(=O)CCO CNP0251527.0 [0,1,0,0,0,0|0,0,2]=3 247 B5R0.1 CC(=O)CCS CNP0404753.0 [0,1,0,0,0,0|0,0,2]=3 248 B5R0.1 CC(=O)OCS CNP0547679.0 [0,1,0,0,0,0|1,0,2]=4 249 B5R0.1 CC(C)C=CO CNP0546358.0 [0,1,0,0,0,0|1,0,2]=4 250 B5R0.1 CC(C)C=NO CNP0180575.0 [0,1,0,0,0,0|2,0,1]=4 251 B5R0.1 CC(C)CC#N CNP0003467.0 [0,1,0,0,0,0|1,0,1]=3 252 B5R0.1 CC(C)CC=O CNP0200023.0 [0,1,0,0,0,0|1,0,1]=3 253 B5R0.1 CC(C)CCN CNP0107663.0 [0,1,0,0,0,0|1,0,0]=2 254 B5R0.1 CC(C)CCO CNP0115711.0 [0,1,0,0,0,0|1,0,0]=2 255 B5R0.1 CC(C)CCS CNP0222694.0 [0,1,0,0,0,0|1,0,0]=2 256 B5R0.1 CC(C)CNO CNP0343206.0 [0,1,0,0,0,0|2,0,0]=3 257 B5R0.1 CC(C)N=C=O CNP0495487.0 [0,1,0,0,0,0|2,0,1]=4 258 B5R0.1 CC(C)N=C=S CNP0332549.0 [0,1,0,0,0,0|2,0,1]=4 259 B5R0.1 CC(C)OC=O CNP0079775.0 [0,1,0,0,0,0|2,0,1]=4 260 B5R0.1 CC(C)ON=N CNP0504626.0 [0,1,0,0,0,0|3,0,0]=4 261 B5R0.1 CC(O)CCS CNP0002409.0 [0,1,0,0,0,0|0,0,0]=1 262 B5R0.1 CC(S)CCS CNP0003105.0 [0,1,0,0,0,0|0,1,0]=2 263 B5R0.1 CC=CC(=O)C CNP0158055.0 [0,1,0,0,0,0|0,0,3]=4 264 B5R0.1 CC=CC(=O)O CNP0379669.0 [0,1,0,0,0,0|1,0,2]=4 265 B5R0.1 CC=CC(C)C CNP0513218.0 [0,1,0,0,0,0|1,0,1]=3 266 B5R0.1 CC=CC(C)O CNP0150168.0 [0,1,0,0,0,0|0,0,1]=2 267 B5R0.1 CC=CS(=S)O CNP0498878.0 [0,1,0,0,0,0|2,0,1]=4 268 B5R0.1 CCC=C(C)C CNP0331653.0 [0,1,0,0,0,0|1,0,1]=3 269 B5R0.1 CCC=C(C)O CNP0225775.0 [0,1,0,0,0,0|0,0,1]=2 270 B5R0.1 CCCC(=O)C CNP0169448.0 [0,1,0,0,0,0|0,0,2]=3 271 B5R0.1 CCCC(=O)N CNP0115101.0 [0,1,0,0,0,0|1,0,2]=4 272 B5R0.1 CCCC(=O)O CNP0259447.0 [0,1,0,0,0,0|1,0,1]=3 273 B5R0.1 CCCC(=O)[O-] CNP0521413.0 [0,1,0,0,0,0|1,0,2]=4 274 B5R0.1 CCCC(C)C CNP0319065.0 [0,1,0,0,0,0|1,0,0]=2 275 B5R0.1 CCCC(C)S CNP0029638.0 [0,1,0,0,0,0|0,1,0]=2 276 B5R0.1 CCCC(O)O CNP0076336.0 [0,1,0,0,0,0|1,0,0]=2 277 B5R0.1 CCCS(=S)O CNP0558357.0 [0,1,0,0,0,0|2,0,0]=3 278 B5R0.1 CCC[C@@H](C)O CNP0287976.1 [0,1,0,0,0,0|0,0,0]=1 279 B5R0.1 CCC[C@H](C)O CNP0287976.2 [0,1,0,0,0,0|0,0,0]=1 280 B5R0.1 CCNC(=O)C CNP0260078.0 [0,1,0,0,0,0|0,0,2]=3 281 B5R0.1 CCNC(=S)N CNP0415621.0 [0,1,0,0,0,0|1,1,1]=4 282 B5R0.1 CCOC(=O)C CNP0322418.0 [0,1,0,0,0,0|0,0,2]=3 283 B5R0.1 CCOC(=O)N CNP0336700.0 [0,1,0,0,0,0|1,0,2]=4 284 B5R0.1 CCOC(=O)O CNP0166515.0 [0,1,0,0,0,0|1,0,1]=3 285 B5R0.1 CCOC(C)C CNP0604172.0 [0,1,0,0,0,0|1,0,0]=2 286 B5R0.1 CCO[13C](=O)C CNP0577601.0 [0,1,0,0,0,0|0,0,2]=3 287 B5R0.1 CCSC(=N)N CNP0528738.0 [0,1,0,0,0,0|2,0,1]=4 288 B5R0.1 CCSC(=O)C CNP0274861.0 [0,1,0,0,0,0|0,0,2]=3 289 B5R0.1 CCSC(C)C CNP0254931.0 [0,1,0,0,0,0|1,0,0]=2 290 B5R0.1 CCSC(C)S CNP0579398.0 [0,1,0,0,0,0|0,1,0]=2 291 B5R0.1 CC[Se]C(=N)N CNP0601350.0 [0,1,0,0,0,0|2,0,1]=4 292 B5R0.1 CN(C)CC#N CNP0084986.0 [0,1,0,0,0,0|2,0,1]=4 293 B5R0.1 CN(C)CCCl CNP0328789.0 [0,1,0,0,0,0|2,0,0]=3 294 B5R0.1 CN(C)CCO CNP0230038.0 [0,1,0,0,0,0|2,0,0]=3 295 B5R0.1 CN=CC(C)C CNP0149349.0 [0,1,0,0,0,0|1,0,1]=3 296 B5R0.1 CNCC(=O)O CNP0307073.0 [0,1,0,0,0,0|1,0,1]=3 297 B5R0.1 CNCC(=O)O CNP0563704.0 [0,1,0,0,0,0|1,0,1]=3 298 B5R0.1 CNCC(=O)[O-] CNP0565920.0 [0,1,0,0,0,0|1,0,2]=4 299 B5R0.1 CNCC(C)C CNP0273998.0 [0,1,0,0,0,0|1,0,0]=2 300 B5R0.1 COCC(=O)C CNP0581024.0 [0,1,0,0,0,0|0,0,2]=3 301 B5R0.1 COCC(=O)O CNP0343219.0 [0,1,0,0,0,0|1,0,1]=3 302 B5R0.1 COCC(C)C CNP0528468.0 [0,1,0,0,0,0|1,0,0]=2 303 B5R0.1 CSCC(=O)C CNP0002513.0 [0,1,0,0,0,0|0,0,2]=3 304 B5R0.1 CSCC(=O)O CNP0447839.0 [0,1,0,0,0,0|1,0,1]=3 305 B5R0.1 CSCC(C)C CNP0405087.0 [0,1,0,0,0,0|1,0,0]=2 306 B5R0.1 CSC[S@+](C)[O-] CNP0604118.1 [0,1,0,0,0,0|1,0,1]=3 307 B5R0.1 CSSC(C)C CNP0267830.0 [0,1,0,0,0,0|2,0,0]=3 308 B5R0.1 C[C@@H](O)CC#N CNP0115714.1 [0,1,0,0,0,0|0,0,1]=2 309 B5R0.1 C[C@@H](O)CC=O CNP0197470.1 [0,1,0,0,0,0|0,0,1]=2 310 B5R0.1 C[C@@H](O)CCO CNP0110972.2 [0,1,0,0,0,0|0,0,0]=1 311 B5R0.1 C[C@H](O)CCO CNP0110972.1 [0,1,0,0,0,0|0,0,0]=1 312 B5R0.1 C[N+](=NCO)[O-] CNP0075707.0 [0,1,0,0,0,0|2,0,1]=4 313 B5R0.1 C[Se]CC(=O)O CNP0526449.0 [0,1,0,0,0,0|1,0,1]=3 314 B5R0.1 C[Te]CC(=O)O CNP0537189.0 [0,1,0,0,0,0|1,0,1]=3 315 B5R0.1 N#CCC(=O)O CNP0269115.0 [0,1,0,0,0,0|1,0,2]=4 316 B5R0.1 NCCC(=O)O CNP0226336.0 [0,1,0,0,0,0|1,0,1]=3 317 B5R0.1 NCCP(=O)O CNP0498602.0 [0,1,0,0,0,0|2,0,0]=3 318 B5R0.1 NCC[S@@](=O)O CNP0211926.2 [0,1,0,0,0,0|2,0,0]=3 319 B5R0.1 NCC[S@](=O)O CNP0211926.1 [0,1,0,0,0,0|2,0,0]=3 320 B5R0.1 NOCC(=O)O CNP0293826.0 [0,1,0,0,0,0|2,0,1]=4 321 B5R0.1 O=C(O)CCO CNP0228379.0 [0,1,0,0,0,0|1,0,1]=3 322 B5R0.1 O=C(O)CCS CNP0097385.0 [0,1,0,0,0,0|1,0,1]=3 323 B5R0.1 O=C(O)CNO CNP0316873.0 [0,1,0,0,0,0|2,0,1]=4 324 B5R0.1 O=CCC(=O)O CNP0149091.0 [0,1,0,0,0,0|1,0,2]=4 325 B5R0.1 O=[N+]([O-])CCO CNP0479078.0 [0,1,0,0,0,0|2,0,1]=4 326 B5R0.1 [C-]#[N+]CC(=O)O CNP0534475.0 [0,1,0,0,0,0|1,0,2]=4 327 B5R0.3 C=C(C#N)CC CNP0541651.0 [0,1,0,0,0,0|1,0,2]=4 328 B5R0.3 C=C(C=O)CC CNP0542605.0 [0,1,0,0,0,0|0,0,3]=4 329 B5R0.3 C=CC(=CC)C CNP0134384.0 [0,1,0,0,0,0|1,0,2]=4 330 B5R0.3 C=CC(=O)CC CNP0362181.0 [0,1,0,0,0,0|0,0,3]=4 331 B5R0.3 C=C[C@@H](O)C#N CNP0141220.1 [0,1,0,0,0,0|0,0,3]=4 332 B5R0.3 C=C[C@@H](O)CC CNP0331558.1 [0,1,0,0,0,0|0,0,1]=2 333 B5R0.3 C=C[C@H](C)CO CNP0600503.1 [0,1,0,0,0,0|0,0,2]=3 334 B5R0.3 C=C[C@H](O)C#N CNP0141220.2 [0,1,0,0,0,0|0,0,3]=4 335 B5R0.3 C=C[C@H](O)CC CNP0331558.2 [0,1,0,0,0,0|0,0,1]=2 336 B5R0.3 CC(=NO)CO CNP0284253.0 [0,1,0,0,0,0|1,0,1]=3 337 B5R0.3 CC(CO)CO CNP0282467.0 [0,1,0,0,0,0|1,0,0]=2 338 B5R0.3 CC=C(C)C=O CNP0281160.0 [0,1,0,0,0,0|0,0,3]=4 339 B5R0.3 CC=C(C)CC CNP0247687.0 [0,1,0,0,0,0|1,0,1]=3 340 B5R0.3 CC=C(C)CO CNP0120418.0 [0,1,0,0,0,0|0,0,2]=3 341 B5R0.3 CCC(=CS)C CNP0025997.0 [0,1,0,0,0,0|0,1,1]=3 342 B5R0.3 CCC(=O)C=O CNP0301331.0 [0,1,0,0,0,0|0,0,3]=4 343 B5R0.3 CCC(=O)CC CNP0270305.0 [0,1,0,0,0,0|0,0,2]=3 344 B5R0.3 CCC(=O)CO CNP0165007.0 [0,1,0,0,0,0|0,0,2]=3 345 B5R0.3 CCC(=O)NN CNP0281170.0 [0,1,0,0,0,0|1,0,2]=4 346 B5R0.3 CCC(=O)OC CNP0166631.0 [0,1,0,0,0,0|0,0,2]=3 347 B5R0.3 CCC(=O)SC CNP0240172.0 [0,1,0,0,0,0|0,0,2]=3 348 B5R0.3 CCC(C)CC CNP0316485.0 [0,1,0,0,0,0|1,0,0]=2 349 B5R0.3 CCC(C)CS CNP0003009.0 [0,1,0,0,0,0|0,1,0]=2 350 B5R0.3 CCC(N)CC CNP0103985.0 [0,1,0,0,0,0|1,0,0]=2 351 B5R0.3 CCC(N)NC CNP0278870.0 [0,1,0,0,0,0|1,0,0]=2 352 B5R0.3 CCC(O)CC CNP0293075.0 [0,1,0,0,0,0|0,0,0]=1 353 B5R0.3 CCC(O)CCl CNP0366953.0 [0,1,0,0,0,0|0,0,0]=1 354 B5R0.3 CCC(O)CO CNP0534149.0 [0,1,0,0,0,0|0,0,0]=1 355 B5R0.3 CCC(S)CS CNP0197461.0 [0,1,0,0,0,0|0,1,0]=2 356 B5R0.3 CCC(S)SC CNP0609154.0 [0,1,0,0,0,0|0,1,0]=2 357 B5R0.3 CC[C@@H](C)C=O CNP0220551.2 [0,1,0,0,0,0|0,0,1]=2 358 B5R0.3 CC[C@@H](C)CO CNP0185673.1 [0,1,0,0,0,0|0,0,0]=1 359 B5R0.3 CC[C@H](C)C#N CNP0343114.1 [0,1,0,0,0,0|1,0,0]=2 360 B5R0.3 CC[C@H](C)C=O CNP0220551.1 [0,1,0,0,0,0|0,0,1]=2 361 B5R0.3 CC[C@H](C)CN CNP0233909.1 [0,1,0,0,0,0|1,0,0]=2 362 B5R0.3 CC[C@H](C)CO CNP0185673.2 [0,1,0,0,0,0|0,0,0]=1 363 B5R0.3 CC[C@H](C)NC CNP0236959.1 [0,1,0,0,0,0|1,0,0]=2 364 B5R0.3 CC[S+](C)CC CNP0038064.0 [0,1,0,0,0,0|2,0,0]=3 365 B5R0.3 CC[S](C)CC CNP0523180.0 [0,1,0,0,0,0|2,0,0]=3 366 B5R0.3 CN(C=O)CO CNP0412364.0 [0,1,0,0,0,0|2,0,1]=4 367 B5R0.3 CNC(=N)NC CNP0404528.0 [0,1,0,0,0,0|2,0,1]=4 368 B5R0.3 CNC(=O)NC CNP0028412.0 [0,1,0,0,0,0|1,0,2]=4 369 B5R0.3 CNC(=O)OC CNP0483114.0 [0,1,0,0,0,0|1,0,2]=4 370 B5R0.3 COC(=O)CI CNP0017842.0 [0,1,0,0,0,0|1,0,2]=4 371 B5R0.3 COC(C)CO CNP0485411.0 [0,1,0,0,0,0|1,0,0]=2 372 B5R0.3 COC(C)OC CNP0122626.0 [0,1,0,0,0,0|1,0,0]=2 373 B5R0.3 CSC(C)SC CNP0610569.0 [0,1,0,0,0,0|1,1,0]=3 374 B5R0.3 ClCC(Cl)CCl CNP0159084.0 [0,1,0,0,0,0|2,0,0]=3 375 B5R0.3 NC(CO)CO CNP0535001.0 [0,1,0,0,0,0|2,0,0]=3 376 B5R0.3 NCC(=O)NO CNP0470573.0 [0,1,0,0,0,0|2,0,1]=4 377 B5R0.3 O=C(CBr)CBr CNP0132836.0 [0,1,0,0,0,0|1,0,2]=4 378 B5R0.3 O=C(CBr)CI CNP0145168.0 [0,1,0,0,0,0|1,0,2]=4 379 B5R0.3 O=C(CCl)CBr CNP0149884.0 [0,1,0,0,0,0|1,0,2]=4 380 B5R0.3 O=C(CCl)CCl CNP0301990.0 [0,1,0,0,0,0|1,0,2]=4 381 B5R0.3 O=C(CCl)CI CNP0408833.0 [0,1,0,0,0,0|1,0,2]=4 382 B5R0.3 O=C(CO)CCl CNP0281226.0 [0,1,0,0,0,0|1,0,2]=4 383 B5R0.3 O=C(CO)CO CNP0303926.0 [0,1,0,0,0,0|1,0,2]=4 384 B5R0.3 O=CC(O)C=O CNP0083225.0 [0,1,0,0,0,0|1,0,2]=4 385 B5R0.3 O=C[C@H](O)CO CNP0359959.1 [0,1,0,0,0,0|1,0,1]=3 386 B5R0.3 OC(CBr)CBr CNP0017512.0 [0,1,0,0,0,0|1,0,0]=2 387 B5R0.3 OC(CCl)CCl CNP0294183.0 [0,1,0,0,0,0|1,0,0]=2 388 B5R0.3 OC(CI)CI CNP0161531.0 [0,1,0,0,0,0|1,0,0]=2 389 B5R0.3 OC(CP)CP CNP0345632.0 [0,1,0,0,0,0|1,0,0]=2 390 B5R0.3 OCC(O)CCl CNP0334066.0 [0,1,0,0,0,0|1,0,0]=2 391 B5R0.3 OCC(O)CO CNP0259986.0 [0,1,0,0,0,0|1,0,0]=2 392 B5R0.3 OC[C@@H](O)CS CNP0570311.1 [0,1,0,0,0,0|1,0,0]=2 393 B5R0.3 OC[C@@H](S)CS CNP0341544.1 [0,1,0,0,0,0|1,1,0]=3 394 B5R0.3 OC[C@H](O)CI CNP0103876.1 [0,1,0,0,0,0|1,0,0]=2 395 B5R0.3 OC[C@H](S)CS CNP0341544.2 [0,1,0,0,0,0|1,1,0]=3 396 B5R0.3 O[C@@H](CCl)CI CNP0018029.1 [0,1,0,0,0,0|1,0,0]=2 397 B5R0.3 PCC(P)CP CNP0345634.0 [0,1,0,0,0,0|2,0,0]=3 398 B5R0.3 [O]CC(=O)CCl CNP0505790.0 [0,1,0,0,0,0|1,0,2]=4 399 B5R0.4 C#CC(C)(C)O CNP0277501.0 [0,1,0,0,0,0|0,0,2]=3 400 B5R0.4 C=CC(C)(C)O CNP0337361.0 [0,1,0,0,0,0|0,0,2]=3 401 B5R0.4 CC(C)(C)C=O CNP0320383.0 [0,1,0,0,0,0|2,0,1]=4 402 B5R0.4 CC(C)(C)N=O CNP0030824.0 [0,1,0,0,0,0|3,0,0]=4 403 B5R0.4 CC(C)(C)OO CNP0609042.0 [0,1,0,0,0,0|3,0,0]=4 404 B5R0.4 CC(C)(O)C#N CNP0157587.0 [0,1,0,0,0,0|1,0,1]=3 405 B5R0.4 CC(C)(O)C=O CNP0300882.0 [0,1,0,0,0,0|1,0,1]=3 406 B5R0.4 CC(C)(O)CN CNP0332905.0 [0,1,0,0,0,0|1,0,0]=2 407 B5R0.4 CC(C)(O)CO CNP0307478.0 [0,1,0,0,0,0|1,0,0]=2 408 B5R0.4 CC(C)(S)CS CNP0258725.0 [0,1,0,0,0,0|1,1,0]=3 409 B5R0.4 CCC(C)(C)C CNP0113159.0 [0,1,0,0,0,0|1,0,0]=2 410 B5R0.4 CCC(C)(C)I CNP0076730.0 [0,1,0,0,0,0|1,0,0]=2 411 B5R0.4 CCC(C)(C)N CNP0083061.0 [0,1,0,0,0,0|1,0,0]=2 412 B5R0.4 CCC(C)(C)O CNP0239239.0 [0,1,0,0,0,0|0,0,0]=1 413 B5R0.4 CCP(=O)(O)O CNP0534713.0 [0,1,0,0,0,0|2,0,0]=3 414 B5R0.4 CCS(=O)(=O)O CNP0440629.0 [0,1,0,0,0,0|2,0,0]=3 415 B5R0.4 CC[Si](C)(C)C CNP0572818.0 [0,1,0,0,0,0|1,1,0]=3 416 B5R0.4 COC(C)(C)C CNP0379426.0 [0,1,0,0,0,0|2,0,0]=3 417 B5R0.4 COP(=O)(O)O CNP0100207.0 [0,1,0,0,0,0|3,0,0]=4 418 B5R0.4 COS(=O)(=O)C CNP0336702.0 [0,1,0,0,0,0|2,0,1]=4 419 B5R0.4 CO[As](=O)(C)C CNP0017834.0 [0,1,0,0,0,0|2,0,1]=4 420 B5R0.4 CP(=O)(C)CO CNP0140331.0 [0,1,0,0,0,0|2,0,1]=4 421 B5R0.4 CSS(=O)(=O)C CNP0305173.0 [0,1,0,0,0,0|2,0,1]=4 422 B5R0.4 O=P(O)(O)CO CNP0297464.0 [0,1,0,0,0,0|3,0,0]=4 423 B5R0.4 O=P(O)(O)CS CNP0479695.0 [0,1,0,0,0,0|3,0,0]=4 424 B5R0.4 O=S(=O)(O)CO CNP0319937.0 [0,1,0,0,0,0|3,0,0]=4 425 B5R0.4 OCC(Cl)(Cl)Cl CNP0418010.0 [0,1,0,0,0,0|3,0,0]=4 426 B5R0.5 C=C(C)C(=C)C CNP0186706.0 [0,1,0,0,0,0|1,0,2]=4 427 B5R0.5 C=C(C)C(=O)C CNP0137327.0 [0,1,0,0,0,0|0,0,3]=4 428 B5R0.5 C=C(C)C(=O)O CNP0147624.0 [0,1,0,0,0,0|1,0,2]=4 429 B5R0.5 C=C(C)[C@@H](C)O CNP0221154.1 [0,1,0,0,0,0|0,0,1]=2 430 B5R0.5 C=C(C)[C@H](C)O CNP0221154.2 [0,1,0,0,0,0|0,0,1]=2 431 B5R0.5 C=C(O)C(C)C CNP0150035.0 [0,1,0,0,0,0|0,0,2]=3 432 B5R0.5 CC(=C(C)C)C CNP0192659.0 [0,1,0,0,0,0|1,0,2]=4 433 B5R0.5 CC(=C(C)O)C CNP0164530.0 [0,1,0,0,0,0|0,0,2]=3 434 B5R0.5 CC(=N)C(=O)O CNP0556238.0 [0,1,0,0,0,0|1,0,2]=4 435 B5R0.5 CC(=O)C(=O)C CNP0153215.0 [0,1,0,0,0,0|0,0,3]=4 436 B5R0.5 CC(=O)C(=O)O CNP0269827.0 [0,1,0,0,0,0|1,0,2]=4 437 B5R0.5 CC(=O)C(Br)Br CNP0186139.0 [0,1,0,0,0,0|1,0,2]=4 438 B5R0.5 CC(=O)C(C)C CNP0209504.0 [0,1,0,0,0,0|0,0,2]=3 439 B5R0.5 CC(=O)C(C)S CNP0409589.0 [0,1,0,0,0,0|0,0,2]=3 440 B5R0.5 CC(=O)C(O)O CNP0547141.0 [0,1,0,0,0,0|1,0,1]=3 441 B5R0.5 CC(=O)N(C)C CNP0083052.0 [0,1,0,0,0,0|1,0,2]=4 442 B5R0.5 CC(=O)[C@@H](C)O CNP0395416.2 [0,1,0,0,0,0|0,0,1]=2 443 B5R0.5 CC(=O)[C@H](C)O CNP0395416.1 [0,1,0,0,0,0|0,0,1]=2 444 B5R0.5 CC(C)C(=O)Cl CNP0337045.0 [0,1,0,0,0,0|1,0,2]=4 445 B5R0.5 CC(C)C(=O)N CNP0226996.0 [0,1,0,0,0,0|1,0,2]=4 446 B5R0.5 CC(C)C(=O)O CNP0197560.0 [0,1,0,0,0,0|1,0,1]=3 447 B5R0.5 CC(C)C(C)C CNP0183010.0 [0,1,0,0,0,0|1,0,0]=2 448 B5R0.5 CC(C)N(C)C CNP0419243.0 [0,1,0,0,0,0|2,0,0]=3 449 B5R0.5 CC(C)[C@@H](C)N CNP0573557.1 [0,1,0,0,0,0|1,0,0]=2 450 B5R0.5 CC(C)[C@@H](C)O CNP0315380.1 [0,1,0,0,0,0|0,0,0]=1 451 B5R0.5 CC(C)[C@@H](C)S CNP0316317.1 [0,1,0,0,0,0|0,1,0]=2 452 B5R0.5 CC(C)[C@H](C)O CNP0315380.2 [0,1,0,0,0,0|0,0,0]=1 453 B5R0.5 CC(C)[N+](=O)[O-] CNP0587963.0 [0,1,0,0,0,0|2,0,1]=4 454 B5R0.5 CC(O)C(=O)[O-] CNP0519619.0 [0,1,0,0,0,0|1,0,1]=3 455 B5R0.5 CC(O)C(=O)[O-] CNP0556254.0 [0,1,0,0,0,0|1,0,1]=3 456 B5R0.5 CC(O)C(=O)[O-] CNP0561690.0 [0,1,0,0,0,0|1,0,1]=3 457 B5R0.5 CC(O)C(=O)[O-] CNP0579849.0 [0,1,0,0,0,0|1,0,1]=3 458 B5R0.5 CC(O)C(=O)[O-] CNP0592207.0 [0,1,0,0,0,0|1,0,1]=3 459 B5R0.5 CC(O)C(C)S CNP0002511.0 [0,1,0,0,0,0|0,0,0]=1 460 B5R0.5 CC(S)C(C)S CNP0003531.0 [0,1,0,0,0,0|0,1,0]=2 461 B5R0.5 C[C@@H](N)C(=O)O CNP0313085.2 [0,1,0,0,0,0|1,0,1]=3 462 B5R0.5 C[C@@H](O)C(=O)O CNP0232038.2 [0,1,0,0,0,0|1,0,1]=3 463 B5R0.5 C[C@@H](O)[C@@H](C)O CNP0115674.2 [0,1,0,0,0,0|0,0,0]=1 464 B5R0.5 C[C@H](N)C(=O)O CNP0313085.1 [0,1,0,0,0,0|1,0,1]=3 465 B5R0.5 C[C@H](O)C(=O)O CNP0232038.1 [0,1,0,0,0,0|1,0,1]=3 466 B5R0.5 C[C@H](O)C(Br)Br CNP0106114.1 [0,1,0,0,0,0|1,0,0]=2 467 B5R0.5 C[C@H](O)[C@@H](C)O CNP0115674.1 [0,1,0,0,0,0|0,0,0]=1 468 B5R0.5 C[C@H](O)[C@H](C)O CNP0115674.3 [0,1,0,0,0,0|0,0,0]=1 469 B5R0.5 C[C@H](S)C(=O)O CNP0223404.1 [0,1,0,0,0,0|1,0,1]=3 470 B5R0.5 ClC(Cl)C(Cl)Cl CNP0311098.0 [0,1,0,0,0,0|3,0,0]=4 471 B5R0.5 N[C@H](O)C(=O)O CNP0294076.1 [0,1,0,0,0,0|2,0,1]=4 472 B5R0.5 O=C(O)C(Br)Br CNP0111357.0 [0,1,0,0,0,0|2,0,1]=4 473 B5R0.5 O=C(O)C(Cl)Cl CNP0151680.0 [0,1,0,0,0,0|2,0,1]=4 474 B5R0.5 O=C(O)C(I)I CNP0320084.0 [0,1,0,0,0,0|2,0,1]=4 475 B5R0.5 O=C(O)C(O)O CNP0603869.0 [0,1,0,0,0,0|2,0,1]=4 476 B5R0.5 O=C(O)[C@@H](Cl)Br CNP0017815.1 [0,1,0,0,0,0|2,0,1]=4 477 B5R0.5 O=C(O)[C@@H](Cl)I CNP0145949.2 [0,1,0,0,0,0|2,0,1]=4 478 B5R0.5 O=C(O)[C@H](Br)I CNP0246601.1 [0,1,0,0,0,0|2,0,1]=4 479 B5R0.5 O=C(O)[C@H](Cl)I CNP0145949.1 [0,1,0,0,0,0|2,0,1]=4 480 B5R1.2 CC1CCC1 CNP0546383.0 [0,0,0,1,0,0|1,0,0]=2 481 B5R1.2 NC1CCC1 CNP0609061.0 [0,0,0,1,0,0|1,0,0]=2 482 B5R1.2 O=C1CCO1 CNP0555602.0 [0,0,0,1,0,0|1,0,1]=3 483 B5R1.2 OC1CCC1 CNP0562500.0 [0,0,0,1,0,0|0,0,0]=1 484 B5R1.2 [O-][S+]1CCC1 CNP0520919.0 [0,0,0,1,0,0|1,0,1]=3 485 B5R1.3 CC=C1CC1 CNP0594561.0 [0,0,0,1,0,0|1,0,2]=4 486 B5R1.3 ClC[C@@H]1CO1 CNP0569559.2 [0,0,0,1,0,0|1,0,0]=2 487 B5R1.3 ClC[C@H]1CO1 CNP0569559.1 [0,0,0,1,0,0|1,0,0]=2 488 B5R1.3 OCC1CC1 CNP0604045.0 [0,0,0,1,0,0|2,0,0]=3 489 B5R1.3 OCC1CO1 CNP0517243.0 [0,0,0,1,0,0|1,0,0]=2 490 B5R1.4 CC1OC1C CNP0609093.0 [0,0,0,1,0,0|0,0,0]=1 491 B5R1.4 C[C@@H]1S[C@@H]1C CNP0577092.1 [0,0,0,1,0,0|0,1,0]=2 492 B5R1.5 CC1(CO1)C CNP0494243.0 [0,0,0,1,0,0|2,0,0]=3 493 B5R1.5 ClC1(CO1)Cl CNP0513034.0 [0,0,0,1,0,0|3,0,0]=4 494 B2R0.1 BrCBr CNP0494232.0 [2,0,0,0,0,0|2,0,0]=4 495 B2R0.1 BrCI CNP0594254.0 [2,0,0,0,0,0|2,0,0]=4 496 B2R0.1 C=CC CNP0522895.0 [2,0,0,0,0,0|0,0,2]=4 497 B2R0.1 C=CO CNP0606787.0 [2,0,0,0,0,0|0,0,2]=4 498 B2R0.1 C=NO CNP0573273.0 [2,0,0,0,0,0|1,0,1]=4 499 B2R0.1 CC#N CNP0510997.0 [2,0,0,0,0,0|1,0,1]=4 500 B2R0.1 CC=O CNP0566693.0 [2,0,0,0,0,0|0,0,2]=4 501 B2R0.1 CCBr CNP0511569.0 [2,0,0,0,0,0|1,0,0]=3 502 B2R0.1 CCC CNP0529348.0 [2,0,0,0,0,0|0,0,0]=2 503 B2R0.1 CCCl CNP0605324.0 [2,0,0,0,0,0|1,0,0]=3 504 B2R0.1 CCI CNP0562236.0 [2,0,0,0,0,0|1,0,0]=3 505 B2R0.1 CCN CNP0561286.0 [2,0,0,0,0,0|1,0,0]=3 506 B2R0.1 CCO CNP0546367.0 [2,0,0,0,0,0|0,0,0]=2 507 B2R0.1 CCS CNP0491795.0 [2,0,0,0,0,0|0,1,0]=3 508 B2R0.1 CN=N CNP0513298.0 [2,0,0,0,0,0|2,0,0]=4 509 B2R0.1 CNC CNP0491602.0 [2,0,0,0,0,0|1,0,0]=3 510 B2R0.1 CNN CNP0609070.0 [2,0,0,0,0,0|2,0,0]=4 511 B2R0.1 COC CNP0580850.0 [2,0,0,0,0,0|1,0,0]=3 512 B2R0.1 CON CNP0566773.0 [2,0,0,0,0,0|2,0,0]=4 513 B2R0.1 CPC CNP0528872.0 [2,0,0,0,0,0|1,0,0]=3 514 B2R0.1 CSC CNP0569922.0 [2,0,0,0,0,0|1,0,0]=3 515 B2R0.1 CSS CNP0611991.0 [2,0,0,0,0,0|1,1,0]=4 516 B2R0.1 C[C]=O CNP0538355.0 [2,0,0,0,0,0|0,0,2]=4 517 B2R0.1 C[C]O CNP0601692.0 [2,0,0,0,0,0|0,0,1]=3 518 B2R0.1 C[Se]C CNP0500399.0 [2,0,0,0,0,0|1,0,0]=3 519 B2R0.1 C[Te]C CNP0483858.0 [2,0,0,0,0,0|1,0,0]=3 520 B2R0.1 ClCBr CNP0528283.0 [2,0,0,0,0,0|2,0,0]=4 521 B2R0.1 ClCCl CNP0529345.0 [2,0,0,0,0,0|2,0,0]=4 522 B2R0.1 ClCI CNP0600514.0 [2,0,0,0,0,0|2,0,0]=4 523 B2R0.1 ICI CNP0526769.0 [2,0,0,0,0,0|2,0,0]=4 524 B2R0.1 N#CO CNP0521200.0 [2,0,0,0,0,0|1,0,1]=4 525 B2R0.1 O=BO CNP0512281.0 [2,0,0,0,0,0|2,0,0]=4 526 B2R0.1 O=CO CNP0494819.0 [2,0,0,0,0,0|1,0,1]=4 527 B2R0.1 O=NO CNP0506888.0 [2,0,0,0,0,0|2,0,0]=4 528 B2R0.1 O=PO CNP0574430.0 [2,0,0,0,0,0|2,0,0]=4 529 B2R0.1 OCO CNP0551435.0 [2,0,0,0,0,0|1,0,0]=3 530 B2R0.1 OOO CNP0557106.0 [2,0,0,0,0,0|2,0,0]=4 531 B2R0.1 OPO CNP0602064.0 [2,0,0,0,0,0|2,0,0]=4 532 B2R0.1 SCS CNP0488241.0 [2,0,0,0,0,0|1,1,0]=4 533 B2R0.1 [C-]#[N+]C CNP0561919.0 [2,0,0,0,0,0|1,0,1]=4 534 B2R0.1 [CH-]=CC CNP0546792.0 [2,0,0,0,0,0|0,0,2]=4 535 B2R0.1 [CH2]CC CNP0535049.0 [2,0,0,0,0,0|0,0,1]=3 536 B2R0.1 [O-][Cl+]O CNP0497237.0 [2,0,0,0,0,0|2,0,0]=4 537 B4R0.2 C#CCCC CNP0510243.0 [1,1,0,0,0,0|0,0,1]=3 538 B4R0.2 C#CCCO CNP0577358.0 [1,1,0,0,0,0|0,0,1]=3 539 B4R0.2 C=C=CCC CNP0484675.0 [1,1,0,0,0,0|0,0,2]=4 540 B4R0.2 C=CCCC CNP0529271.0 [1,1,0,0,0,0|0,0,1]=3 541 B4R0.2 C=CCCN CNP0493733.0 [1,1,0,0,0,0|0,0,2]=4 542 B4R0.2 C=CCCO CNP0599473.0 [1,1,0,0,0,0|0,0,1]=3 543 B4R0.2 C=CCSC CNP0572475.0 [1,1,0,0,0,0|0,0,2]=4 544 B4R0.2 C=CCSO CNP0600527.0 [1,1,0,0,0,0|0,0,2]=4 545 B4R0.2 C=CC[Se]C CNP0612039.0 [1,1,0,0,0,0|0,0,2]=4 546 B4R0.2 C=COCC CNP0567970.0 [1,1,0,0,0,0|0,0,2]=4 547 B4R0.2 C=CSCC CNP0581257.0 [1,1,0,0,0,0|0,0,2]=4 548 B4R0.2 CC#CCC CNP0516358.0 [1,1,0,0,0,0|0,0,1]=3 549 B4R0.2 CC=CCC CNP0524560.0 [1,1,0,0,0,0|0,0,1]=3 550 B4R0.2 CC=CCO CNP0498228.0 [1,1,0,0,0,0|0,0,1]=3 551 B4R0.2 CC=CCS CNP0606069.0 [1,1,0,0,0,0|0,0,2]=4 552 B4R0.2 CC=CSC CNP0587371.0 [1,1,0,0,0,0|0,0,2]=4 553 B4R0.2 CC=CSO CNP0521494.0 [1,1,0,0,0,0|0,0,2]=4 554 B4R0.2 CCC#CO CNP0612045.0 [1,1,0,0,0,0|0,0,1]=3 555 B4R0.2 CCC=NO CNP0599998.0 [1,1,0,0,0,0|0,0,1]=3 556 B4R0.2 CCC=S=O CNP0514855.0 [1,1,0,0,0,0|0,0,2]=4 557 B4R0.2 CCCC=O CNP0518034.0 [1,1,0,0,0,0|0,0,1]=3 558 B4R0.2 CCCCC CNP0486380.0 [1,1,0,0,0,0|0,0,0]=2 559 B4R0.2 CCCCI CNP0558480.0 [1,1,0,0,0,0|0,0,0]=2 560 B4R0.2 CCCCN CNP0597509.0 [1,1,0,0,0,0|0,0,0]=2 561 B4R0.2 CCCCO CNP0505612.0 [1,1,0,0,0,0|0,0,0]=2 562 B4R0.2 CCCCS CNP0598878.0 [1,1,0,0,0,0|0,0,0]=2 563 B4R0.2 CCCNC CNP0599313.0 [1,1,0,0,0,0|0,0,0]=2 564 B4R0.2 CCCOC CNP0609062.0 [1,1,0,0,0,0|0,0,0]=2 565 B4R0.2 CCCSC CNP0481317.0 [1,1,0,0,0,0|0,0,0]=2 566 B4R0.2 CCCSO CNP0594110.0 [1,1,0,0,0,0|0,0,0]=2 567 B4R0.2 CCN=C=S CNP0601773.0 [1,1,0,0,0,0|0,1,1]=4 568 B4R0.2 CCNCC CNP0491960.0 [1,1,0,0,0,0|0,0,0]=2 569 B4R0.2 CCOC=O CNP0525155.0 [1,1,0,0,0,0|0,0,2]=4 570 B4R0.2 CCOCC CNP0572765.0 [1,1,0,0,0,0|0,0,0]=2 571 B4R0.2 CCON=O CNP0596964.0 [1,1,0,0,0,0|1,0,1]=4 572 B4R0.2 CCSC#N CNP0540962.0 [1,1,0,0,0,0|1,0,1]=4 573 B4R0.2 CCSCC CNP0518873.0 [1,1,0,0,0,0|0,0,0]=2 574 B4R0.2 CCSSC CNP0571147.0 [1,1,0,0,0,0|1,0,0]=3 575 B4R0.2 CNCCN CNP0496542.0 [1,1,0,0,0,0|1,0,0]=3 576 B4R0.2 CNCCO CNP0513801.0 [1,1,0,0,0,0|0,0,0]=2 577 B4R0.2 COCCI CNP0495552.0 [1,1,0,0,0,0|1,0,0]=3 578 B4R0.2 COCCO CNP0561250.0 [1,1,0,0,0,0|0,0,0]=2 579 B4R0.2 COCC[Si] CNP0501162.0 [1,1,0,0,0,0|0,1,0]=3 580 B4R0.2 CSCC=O CNP0555203.0 [1,1,0,0,0,0|0,0,2]=4 581 B4R0.2 CSCCO CNP0574269.0 [1,1,0,0,0,0|0,0,0]=2 582 B4R0.2 CSCSC CNP0591427.0 [1,1,0,0,0,0|1,0,0]=3 583 B4R0.2 CSSSC CNP0486985.0 [1,1,0,0,0,0|2,0,0]=4 584 B4R0.2 CS[Se]SC CNP0608554.0 [1,1,0,0,0,0|2,0,0]=4 585 B4R0.2 N#CCCN CNP0502764.0 [1,1,0,0,0,0|1,0,1]=4 586 B4R0.2 NCCC=O CNP0502520.0 [1,1,0,0,0,0|0,0,2]=4 587 B4R0.2 NCCCN CNP0566837.0 [1,1,0,0,0,0|1,0,0]=3 588 B4R0.2 NCCCO CNP0538228.0 [1,1,0,0,0,0|0,0,0]=2 589 B4R0.2 NCCCS CNP0560812.0 [1,1,0,0,0,0|0,1,0]=3 590 B4R0.2 NOCON CNP0531529.0 [1,1,0,0,0,0|2,0,0]=4 591 B4R0.2 O=CCCO CNP0525339.0 [1,1,0,0,0,0|0,0,1]=3 592 B4R0.2 OCC=CCl CNP0578872.0 [1,1,0,0,0,0|0,0,2]=4 593 B4R0.2 OCCCBr CNP0506989.0 [1,1,0,0,0,0|0,0,0]=2 594 B4R0.2 OCCCO CNP0503416.0 [1,1,0,0,0,0|0,0,0]=2 595 B4R0.2 OCCCS CNP0586497.0 [1,1,0,0,0,0|0,0,0]=2 596 B4R0.2 SCCCS CNP0528691.0 [1,1,0,0,0,0|0,1,0]=3 597 B4R0.2 [C-]#[N+]CCC CNP0525086.0 [1,1,0,0,0,0|0,0,1]=3 598 B4R0.3 CC(C)(C)C CNP0568936.0 [1,1,0,0,0,0|1,0,0]=3 599 B4R0.3 CC(C)(C)O CNP0541010.0 [1,1,0,0,0,0|0,0,0]=2 600 B4R0.3 CC(C)(N)N CNP0611679.0 [1,1,0,0,0,0|1,0,0]=3 601 B4R0.3 CC(Cl)(Cl)Cl CNP0581486.0 [1,1,0,0,0,0|2,0,0]=4 602 B4R0.3 CP(=O)(O)O CNP0605019.0 [1,1,0,0,0,0|2,0,0]=4 603 B4R0.3 CS(=O)(=O)C CNP0605129.0 [1,1,0,0,0,0|1,0,1]=4 604 B4R0.3 CS(=O)(=O)O CNP0491438.0 [1,1,0,0,0,0|2,0,0]=4 605 B4R0.3 CS(=S)(C)O CNP0608926.0 [1,1,0,0,0,0|1,0,0]=3 606 B4R0.3 C[As+](C)(C)C CNP0594598.0 [1,1,0,0,0,0|2,0,0]=4 607 B4R0.3 C[As](=O)(C)O CNP0492406.0 [1,1,0,0,0,0|1,0,0]=3 608 B4R0.3 C[As](=O)(O)O CNP0536186.0 [1,1,0,0,0,0|2,0,0]=4 609 B4R0.3 C[N+](C)(C)C CNP0519180.0 [1,1,0,0,0,0|2,0,0]=4 610 B4R0.3 C[N+](C)(C)C CNP0559650.0 [1,1,0,0,0,0|2,0,0]=4 611 B4R0.3 C[N+](C)(C)O CNP0585867.0 [1,1,0,0,0,0|1,0,0]=3 612 B4R0.3 C[N+](C)(C)[O-] CNP0598895.0 [1,1,0,0,0,0|1,0,1]=4 613 B4R0.3 C[Si](C)(C)Cl CNP0530881.0 [1,1,0,0,0,0|1,1,0]=4 614 B4R0.3 C[Si](C)(C)O CNP0575582.0 [1,1,0,0,0,0|0,1,0]=3 615 B4R0.3 C[Si](C)(O)O CNP0563438.0 [1,1,0,0,0,0|0,1,0]=3 616 B6R0.1 C#C[C@@H](O)CCC CNP0226736.1 [0,2,0,0,0,0|0,0,1]=3 617 B6R0.1 C#C[C@H](O)CCC CNP0226736.2 [0,2,0,0,0,0|0,0,1]=3 618 B6R0.1 C=C(CO)CCO CNP0082069.0 [0,2,0,0,0,0|0,0,2]=4 619 B6R0.1 C=C([CH]CC)CC CNP0529223.0 [0,2,0,0,0,0|1,0,1]=4 620 B6R0.1 C=CCC(=O)CC CNP0580605.0 [0,2,0,0,0,0|0,0,2]=4 621 B6R0.1 C=CC[C@H](C)C=O CNP0283012.1 [0,2,0,0,0,0|0,0,2]=4 622 B6R0.1 C=C[C@@H](O)CC#N CNP0276029.1 [0,2,0,0,0,0|0,0,2]=4 623 B6R0.1 C=C[C@H](O)CCC CNP0193104.1 [0,2,0,0,0,0|0,0,1]=3 624 B6R0.1 CC(=CCO)CO CNP0277047.0 [0,2,0,0,0,0|0,0,2]=4 625 B6R0.1 CC=C(C)CSC CNP0003230.0 [0,2,0,0,0,0|1,0,1]=4 626 B6R0.1 CC=CC(=O)CC CNP0127812.0 [0,2,0,0,0,0|0,0,2]=4 627 B6R0.1 CCC(=O)CSC CNP0170567.0 [0,2,0,0,0,0|0,0,2]=4 628 B6R0.1 CCC(Br)CCBr CNP0612222.0 [0,2,0,0,0,0|1,0,0]=3 629 B6R0.1 CCC(C)C=NO CNP0605626.0 [0,2,0,0,0,0|0,0,0]=2 630 B6R0.1 CCC(C)CC=O CNP0531748.0 [0,2,0,0,0,0|0,0,1]=3 631 B6R0.1 CCC(C)NC=O CNP0583042.0 [0,2,0,0,0,0|0,0,1]=3 632 B6R0.1 CCC(C)OC=O CNP0570369.0 [0,2,0,0,0,0|0,0,0]=2 633 B6R0.1 CCC(C)ON=O CNP0521211.0 [0,2,0,0,0,0|0,0,0]=2 634 B6R0.1 CCC=C(C)C=O CNP0245615.0 [0,2,0,0,0,0|0,0,2]=4 635 B6R0.1 CCC=C(C)CO CNP0511576.0 [0,2,0,0,0,0|0,0,1]=3 636 B6R0.1 CCCC(=NO)C CNP0211014.0 [0,2,0,0,0,0|0,0,1]=3 637 B6R0.1 CCCC(=O)CC CNP0248158.0 [0,2,0,0,0,0|0,0,2]=4 638 B6R0.1 CCCC(=O)CO CNP0084314.0 [0,2,0,0,0,0|0,0,2]=4 639 B6R0.1 CCCC(=O)OC CNP0159910.0 [0,2,0,0,0,0|0,0,2]=4 640 B6R0.1 CCCC(=O)SC CNP0084452.0 [0,2,0,0,0,0|0,0,2]=4 641 B6R0.1 CCCC(C)C#N CNP0583202.0 [0,2,0,0,0,0|1,0,0]=3 642 B6R0.1 CCC[C@@H](C)C=O CNP0370387.1 [0,2,0,0,0,0|0,0,1]=3 643 B6R0.1 CCC[C@@H](C)CC CNP0407855.1 [0,2,0,0,0,0|1,0,0]=3 644 B6R0.1 CCC[C@@H](C)CO CNP0356704.1 [0,2,0,0,0,0|0,0,0]=2 645 B6R0.1 CCC[C@@H](C)SC CNP0188673.1 [0,2,0,0,0,0|0,1,0]=3 646 B6R0.1 CCC[C@@H](O)CC CNP0346810.2 [0,2,0,0,0,0|0,0,0]=2 647 B6R0.1 CCC[C@H](C)CC CNP0407855.2 [0,2,0,0,0,0|1,0,0]=3 648 B6R0.1 CCC[C@H](C)CO CNP0356704.2 [0,2,0,0,0,0|0,0,0]=2 649 B6R0.1 CCC[C@H](C)NC CNP0298650.1 [0,2,0,0,0,0|1,0,0]=3 650 B6R0.1 CCC[C@H](O)CC CNP0346810.1 [0,2,0,0,0,0|0,0,0]=2 651 B6R0.1 CCC[S+]([O-])SC CNP0596263.0 [0,2,0,0,0,0|1,0,1]=4 652 B6R0.1 CCNC(=O)CC CNP0586892.0 [0,2,0,0,0,0|0,0,2]=4 653 B6R0.1 CCNC(=O)OC CNP0585352.0 [0,2,0,0,0,0|0,0,2]=4 654 B6R0.1 CCOC(=O)CC CNP0169171.0 [0,2,0,0,0,0|0,0,2]=4 655 B6R0.1 CCOC(=O)CI CNP0158474.0 [0,2,0,0,0,0|0,0,2]=4 656 B6R0.1 CCOC(=O)NC CNP0565390.0 [0,2,0,0,0,0|0,0,2]=4 657 B6R0.1 CCOC(C)CC CNP0086282.0 [0,2,0,0,0,0|0,0,0]=2 658 B6R0.1 CCOC(C)OC CNP0612171.0 [0,2,0,0,0,0|0,0,0]=2 659 B6R0.1 CCO[C@H](C)OO CNP0135079.1 [0,2,0,0,0,0|0,0,0]=2 660 B6R0.1 CCSC(=O)CC CNP0265303.0 [0,2,0,0,0,0|0,0,2]=4 661 B6R0.1 CCSC(C)SC CNP0611888.0 [0,2,0,0,0,0|0,1,0]=3 662 B6R0.1 CCSC(S)CC CNP0488688.0 [0,2,0,0,0,0|0,1,0]=3 663 B6R0.1 CC[C@@H](C)CCO CNP0260863.2 [0,2,0,0,0,0|0,0,0]=2 664 B6R0.1 CC[C@@H](C)N=C=S CNP0416348.1 [0,2,0,0,0,0|0,1,0]=3 665 B6R0.1 CC[C@@H](C)SSC CNP0348346.1 [0,2,0,0,0,0|0,1,0]=3 666 B6R0.1 CC[C@H](C)CCO CNP0260863.1 [0,2,0,0,0,0|0,0,0]=2 667 B6R0.1 CC[C@H](C)N=C=S CNP0416348.2 [0,2,0,0,0,0|0,1,0]=3 668 B6R0.1 CNCC(=O)OC CNP0311286.0 [0,2,0,0,0,0|0,0,2]=4 669 B6R0.1 COC(=O)CSC CNP0189712.0 [0,2,0,0,0,0|0,0,2]=4 670 B6R0.1 COCC(=O)OC CNP0202591.0 [0,2,0,0,0,0|0,0,2]=4 671 B6R0.1 COC[C@@H](O)CO CNP0105123.1 [0,2,0,0,0,0|0,0,0]=2 672 B6R0.1 COC[C@H](O)CO CNP0105123.2 [0,2,0,0,0,0|0,0,0]=2 673 B6R0.1 CSC(C)CC=O CNP0002406.0 [0,2,0,0,0,0|0,1,1]=4 674 B6R0.1 NCC[C@@H](O)CN CNP0347226.2 [0,2,0,0,0,0|0,0,0]=2 675 B6R0.1 NCC[C@H](O)CN CNP0347226.1 [0,2,0,0,0,0|0,0,0]=2 676 B6R0.1 OCC[C@H](O)CO CNP0190269.1 [0,2,0,0,0,0|0,0,0]=2 677 B6R0.1 OCO[C@H](O)CO CNP0278922.1 [0,2,0,0,0,0|1,0,0]=3 678 B6R0.1 OC[C@@H](O)CSO CNP0536094.1 [0,2,0,0,0,0|1,0,0]=3 679 B6R0.2 C=C(C)CC(=O)C CNP0331918.0 [0,2,0,0,0,0|0,0,2]=4 680 B6R0.2 CC(=CC(C)C)C CNP0084966.0 [0,2,0,0,0,0|1,0,1]=4 681 B6R0.2 CC(=N)CC(=O)C CNP0178786.0 [0,2,0,0,0,0|0,0,2]=4 682 B6R0.2 CC(=O)C=C(C)O CNP0344390.0 [0,2,0,0,0,0|0,0,2]=4 683 B6R0.2 CC(=O)CC(=O)C CNP0267628.0 [0,2,0,0,0,0|0,0,2]=4 684 B6R0.2 CC(=O)CC(=O)O CNP0286292.0 [0,2,0,0,0,0|1,0,1]=4 685 B6R0.2 CC(=O)CC(C)C CNP0178924.0 [0,2,0,0,0,0|1,0,0]=3 686 B6R0.2 CC(=O)C[C@@H](C)O CNP0209002.1 [0,2,0,0,0,0|0,0,0]=2 687 B6R0.2 CC(=O)C[C@H](C)O CNP0209002.2 [0,2,0,0,0,0|0,0,0]=2 688 B6R0.2 CC(=O)OC(C)C CNP0234567.0 [0,2,0,0,0,0|0,0,2]=4 689 B6R0.2 CC(=S)OC(C)C CNP0539735.0 [0,2,0,0,0,0|0,1,1]=4 690 B6R0.2 CC(C)CC(=O)N CNP0512695.0 [0,2,0,0,0,0|1,0,1]=4 691 B6R0.2 CC(C)CC(C)C CNP0241759.0 [0,2,0,0,0,0|1,0,0]=3 692 B6R0.2 CC(C)CC(C)O CNP0493734.0 [0,2,0,0,0,0|0,0,0]=2 693 B6R0.2 CC(C)C[C@@H](C)N CNP0556567.1 [0,2,0,0,0,0|1,0,0]=3 694 B6R0.2 CC(C)C[S@@+](C)[O-] CNP0553779.1 [0,2,0,0,0,0|1,0,0]=3 695 B6R0.2 CC(C)C[S@@H+](C)[O-] CNP0593384.1 [0,2,0,0,0,0|1,0,0]=3 696 B6R0.2 CC(C)NC(C)C CNP0209283.0 [0,2,0,0,0,0|1,0,0]=3 697 B6R0.2 CC(C)SC(C)C CNP0213199.0 [0,2,0,0,0,0|1,0,0]=3 698 B6R0.2 CC(O)CC(=O)N CNP0217857.0 [0,2,0,0,0,0|0,0,1]=3 699 B6R0.2 CC(S)SC(C)S CNP0174729.0 [0,2,0,0,0,0|0,1,0]=3 700 B6R0.2 CN(C)CC(=O)O CNP0175140.0 [0,2,0,0,0,0|1,0,1]=4 701 B6R0.2 CN(C)C[S+](C)[O-] CNP0538671.0 [0,2,0,0,0,0|1,0,1]=4 702 B6R0.2 C[C@@H](N)CC(=O)O CNP0287180.2 [0,2,0,0,0,0|1,0,1]=4 703 B6R0.2 C[C@@H](O)CC(=O)O CNP0161860.1 [0,2,0,0,0,0|0,0,1]=3 704 B6R0.2 C[C@@H](O)C[C@@H](C)O CNP0138640.1 [0,2,0,0,0,0|0,0,0]=2 705 B6R0.2 C[C@H](N)CC(=O)O CNP0287180.1 [0,2,0,0,0,0|1,0,1]=4 706 B6R0.2 C[C@H](O)CC(=O)O CNP0161860.2 [0,2,0,0,0,0|0,0,1]=3 707 B6R0.2 C[C@H]([13CH3])CC(=O)O CNP0175489.1 [0,2,0,0,0,0|1,0,1]=4 708 B6R0.2 C[C](C)CC(=O)O CNP0606523.0 [0,2,0,0,0,0|1,0,1]=4 709 B6R0.2 C[S+](C)CC(=O)O CNP0149325.0 [0,2,0,0,0,0|1,0,1]=4 710 B6R0.3 C=C(C)[C@H](C)CC CNP0076705.1 [0,2,0,0,0,0|1,0,0]=3 711 B6R0.3 C=C(CC)C(=O)O CNP0082368.0 [0,2,0,0,0,0|0,0,2]=4 712 B6R0.3 CC(=O)C(=NO)C CNP0091192.0 [0,2,0,0,0,0|0,0,2]=4 713 B6R0.3 CC(=O)C(C)C#N CNP0503071.0 [0,2,0,0,0,0|0,0,2]=4 714 B6R0.3 CC(Br)C(=O)CBr CNP0435945.0 [0,2,0,0,0,0|0,0,2]=4 715 B6R0.3 CC(C)C(C)CO CNP0127606.0 [0,2,0,0,0,0|0,0,0]=2 716 B6R0.3 CC(C)C(N)C=O CNP0484074.0 [0,2,0,0,0,0|1,0,1]=4 717 B6R0.3 CC(C)C(N)C=O CNP0491546.0 [0,2,0,0,0,0|1,0,1]=4 718 B6R0.3 CC(C)C(N)C=O CNP0498484.0 [0,2,0,0,0,0|1,0,1]=4 719 B6R0.3 CC(C)[C@@H](N)CO CNP0177308.2 [0,2,0,0,0,0|1,0,0]=3 720 B6R0.3 CC(C)[C@@H](O)C#N CNP0164289.1 [0,2,0,0,0,0|0,0,1]=3 721 B6R0.3 CC(C)[C@@H](S)CO CNP0191310.1 [0,2,0,0,0,0|0,1,0]=3 722 B6R0.3 CC(C)[C@H](N)CO CNP0177308.1 [0,2,0,0,0,0|1,0,0]=3 723 B6R0.3 CC(O)C(=O)CO CNP0185354.0 [0,2,0,0,0,0|0,0,1]=3 724 B6R0.3 CC=C(C)C(=O)O CNP0238363.0 [0,2,0,0,0,0|0,0,2]=4 725 B6R0.3 CCC(=C(C)C)C CNP0076862.0 [0,2,0,0,0,0|1,0,1]=4 726 B6R0.3 CCC(=O)C(=O)C CNP0311036.0 [0,2,0,0,0,0|0,0,2]=4 727 B6R0.3 CCC(=O)C(=O)O CNP0283357.0 [0,2,0,0,0,0|1,0,1]=4 728 B6R0.3 CCC(=O)C(C)C CNP0169958.0 [0,2,0,0,0,0|1,0,0]=3 729 B6R0.3 CCC(=O)C(C)S CNP0003027.0 [0,2,0,0,0,0|0,1,0]=3 730 B6R0.3 CCC(=O)N(C)C CNP0205998.0 [0,2,0,0,0,0|0,0,2]=4 731 B6R0.3 CCC(=O)[C@H](C)N CNP0316941.1 [0,2,0,0,0,0|1,0,0]=3 732 B6R0.3 CCC(=O)[C@H](C)O CNP0287252.1 [0,2,0,0,0,0|0,0,0]=2 733 B6R0.3 CCC(O)C(=O)C CNP0413470.0 [0,2,0,0,0,0|0,0,0]=2 734 B6R0.3 CCC(O)C(C)C CNP0265736.0 [0,2,0,0,0,0|0,0,0]=2 735 B6R0.3 CCC(O)C(C)O CNP0519497.0 [0,2,0,0,0,0|0,0,0]=2 736 B6R0.3 CCC(S)C(=O)C CNP0064467.0 [0,2,0,0,0,0|0,1,0]=3 737 B6R0.3 CCC(S)C(C)C CNP0611989.0 [0,2,0,0,0,0|0,1,0]=3 738 B6R0.3 CC[C@@H](C)C(=O)C CNP0151175.1 [0,2,0,0,0,0|0,0,1]=3 739 B6R0.3 CC[C@@H](C)C(=O)Cl CNP0146254.2 [0,2,0,0,0,0|0,0,1]=3 740 B6R0.3 CC[C@@H](C)C(=O)N CNP0157695.1 [0,2,0,0,0,0|0,0,1]=3 741 B6R0.3 CC[C@@H](C)C(=O)O CNP0187792.1 [0,2,0,0,0,0|0,0,0]=2 742 B6R0.3 CC[C@@H](C)C(O)O CNP0597016.1 [0,2,0,0,0,0|0,0,0]=2 743 B6R0.3 CC[C@@H](C)[C@@H](C)O CNP0061619.1 [0,2,0,0,0,0|0,0,0]=2 744 B6R0.3 CC[C@@H](N)C(=O)O CNP0243222.1 [0,2,0,0,0,0|1,0,0]=3 745 B6R0.3 CC[C@@H](O)C(=O)C CNP0413470.1 [0,2,0,0,0,0|0,0,0]=2 746 B6R0.3 CC[C@@H](O)C(=O)O CNP0162708.1 [0,2,0,0,0,0|0,0,1]=3 747 B6R0.3 CC[C@H](C)C(=O)C CNP0151175.2 [0,2,0,0,0,0|0,0,1]=3 748 B6R0.3 CC[C@H](C)C(=O)Cl CNP0146254.1 [0,2,0,0,0,0|0,0,1]=3 749 B6R0.3 CC[C@H](C)C(=O)N CNP0157695.2 [0,2,0,0,0,0|0,0,1]=3 750 B6R0.3 CC[C@H](C)C(=O)O CNP0187792.2 [0,2,0,0,0,0|0,0,0]=2 751 B6R0.3 CC[C@H](C)C(C)C CNP0304167.1 [0,2,0,0,0,0|1,0,0]=3 752 B6R0.3 CC[C@H](C)[C@@H](C)O CNP0061619.2 [0,2,0,0,0,0|0,0,0]=2 753 B6R0.3 CC[C@H](N)C(=O)O CNP0243222.3 [0,2,0,0,0,0|1,0,0]=3 754 B6R0.3 CC[C@H](O)C(=O)O CNP0162708.2 [0,2,0,0,0,0|0,0,1]=3 755 B6R0.3 CN[C@@H](C)C(=O)O CNP0126063.1 [0,2,0,0,0,0|1,0,0]=3 756 B6R0.3 CN[C@H](C)C(=O)O CNP0126063.2 [0,2,0,0,0,0|1,0,0]=3 757 B6R0.3 COC(=O)C(C)C CNP0354997.0 [0,2,0,0,0,0|0,0,2]=4 758 B6R0.3 COC(=O)[C@@H](C)N CNP0396122.3 [0,2,0,0,0,0|0,0,2]=4 759 B6R0.3 COC(=O)[C@@H](C)O CNP0238296.2 [0,2,0,0,0,0|0,0,1]=3 760 B6R0.3 COC(=O)[C@@H](N)O CNP0142697.1 [0,2,0,0,0,0|1,0,1]=4 761 B6R0.3 COC(=O)[C@H](C)N CNP0396122.2 [0,2,0,0,0,0|0,0,2]=4 762 B6R0.3 COC(=O)[C@H](C)O CNP0238296.1 [0,2,0,0,0,0|0,0,1]=3 763 B6R0.3 COC(=S)C(C)C CNP0507266.0 [0,2,0,0,0,0|0,1,1]=4 764 B6R0.3 CO[C@@H](C)C(=O)C CNP0325332.1 [0,2,0,0,0,0|0,0,1]=3 765 B6R0.3 CSC(C)C(=O)C CNP0075921.0 [0,2,0,0,0,0|0,0,2]=4 766 B6R0.3 CSC(C)C(C)C CNP0245218.0 [0,2,0,0,0,0|0,1,0]=3 767 B6R0.3 C[C@@H](C=O)C(=O)O CNP0083546.1 [0,2,0,0,0,0|1,0,1]=4 768 B6R0.3 C[C@@H](CN)C(=O)O CNP0291505.1 [0,2,0,0,0,0|1,0,0]=3 769 B6R0.3 C[C@@H](CO)C(=O)O CNP0257203.1 [0,2,0,0,0,0|1,0,0]=3 770 B6R0.3 C[C@@H](O)[C@@H](C)CO CNP0424442.1 [0,2,0,0,0,0|0,0,0]=2 771 B6R0.3 C[C@@H](O)[C@@H](O)CO CNP0199934.3 [0,2,0,0,0,0|0,0,0]=2 772 B6R0.3 C[C@@H](O)[C@H](N)C=O CNP0119001.1 [0,2,0,0,0,0|0,0,1]=3 773 B6R0.3 C[C@@H](O)[C@H](N)CO CNP0049541.1 [0,2,0,0,0,0|0,0,0]=2 774 B6R0.3 C[C@@H](O)[C@H](O)CO CNP0199934.1 [0,2,0,0,0,0|0,0,0]=2 775 B6R0.3 C[C@H](CCl)N(C)C CNP0239301.1 [0,2,0,0,0,0|2,0,0]=4 776 B6R0.3 C[C@H](CN)C(=O)O CNP0291505.2 [0,2,0,0,0,0|1,0,0]=3 777 B6R0.3 C[C@H](CO)C(=O)O CNP0257203.2 [0,2,0,0,0,0|1,0,0]=3 778 B6R0.3 C[C@H](NO)C(=O)O CNP0221656.1 [0,2,0,0,0,0|1,0,1]=4 779 B6R0.3 C[C@H](O)[C@H](O)CO CNP0199934.2 [0,2,0,0,0,0|0,0,0]=2 780 B6R0.3 NC(=O)[C@@H](O)CO CNP0263493.1 [0,2,0,0,0,0|1,0,1]=4 781 B6R0.3 NC[C@@H](N)C(=O)O CNP0403048.1 [0,2,0,0,0,0|1,0,1]=4 782 B6R0.3 NC[C@@H](O)C(=O)O CNP0213687.1 [0,2,0,0,0,0|1,0,1]=4 783 B6R0.3 NC[C@H](N)C(=O)O CNP0403048.2 [0,2,0,0,0,0|1,0,1]=4 784 B6R0.3 N[C@@H](CO)C(=O)O CNP0275512.1 [0,2,0,0,0,0|1,0,1]=4 785 B6R0.3 N[C@@H](CS)C(=O)O CNP0280490.1 [0,2,0,0,0,0|1,0,1]=4 786 B6R0.3 N[C@@H](CS)C(=O)O CNP0543246.1 [0,2,0,0,0,0|1,0,1]=4 787 B6R0.3 N[C@@H](C[SeH])C(=O)O CNP0105616.1 [0,2,0,0,0,0|1,0,1]=4 788 B6R0.3 N[C@@H](C[Se])C(=O)O CNP0539066.1 [0,2,0,0,0,0|1,0,1]=4 789 B6R0.3 N[C@H](CCl)C(=O)O CNP0597943.1 [0,2,0,0,0,0|1,0,1]=4 790 B6R0.3 N[C@H](CO)C(=O)O CNP0275512.2 [0,2,0,0,0,0|1,0,1]=4 791 B6R0.3 N[C@H](CS)C(=O)O CNP0280490.2 [0,2,0,0,0,0|1,0,1]=4 792 B6R0.3 N[C@H](C[SeH])C(=O)O CNP0105616.2 [0,2,0,0,0,0|1,0,1]=4 793 B6R0.3 O=C(O)[C@@H](O)CCl CNP0460792.2 [0,2,0,0,0,0|1,0,1]=4 794 B6R0.3 O=C(O)[C@@H](O)CO CNP0264905.2 [0,2,0,0,0,0|1,0,1]=4 795 B6R0.3 O=C(O)[C@@H](O)CS CNP0083519.1 [0,2,0,0,0,0|1,0,1]=4 796 B6R0.3 O=C(O)[C@H](O)CCl CNP0460792.1 [0,2,0,0,0,0|1,0,1]=4 797 B6R0.3 O=C(O)[C@H](O)CO CNP0264905.1 [0,2,0,0,0,0|1,0,1]=4 798 B6R0.3 OC(CCl)C(Cl)Cl CNP0323730.0 [0,2,0,0,0,0|1,0,0]=3 799 B6R0.3 [C-]#[N+][C@@H](C)C(=O)O CNP0523631.1 [0,2,0,0,0,0|1,0,1]=4 800 B6R0.4 C=C(C)CCSC CNP0330891.0 [0,2,0,0,0,0|1,0,1]=4 801 B6R0.4 C=CCCC(=O)C CNP0610109.0 [0,2,0,0,0,0|0,0,2]=4 802 B6R0.4 C=CCCC(=O)O CNP0003359.0 [0,2,0,0,0,0|1,0,1]=4 803 B6R0.4 C=CCCC(C)O CNP0519217.0 [0,2,0,0,0,0|0,0,0]=2 804 B6R0.4 C=CCSC(C)C CNP0309084.0 [0,2,0,0,0,0|1,0,1]=4 805 B6R0.4 CC(=CCCN)C CNP0568876.0 [0,2,0,0,0,0|1,0,1]=4 806 B6R0.4 CC(=CCCO)C CNP0410779.0 [0,2,0,0,0,0|1,0,1]=4 807 B6R0.4 CC(=O)CCC=O CNP0261239.0 [0,2,0,0,0,0|0,0,2]=4 808 B6R0.4 CC(=O)NCCN CNP0182526.0 [0,2,0,0,0,0|0,0,2]=4 809 B6R0.4 CC(=O)NCCO CNP0304709.0 [0,2,0,0,0,0|0,0,2]=4 810 B6R0.4 CC(=O)NCCS CNP0516453.0 [0,2,0,0,0,0|0,0,2]=4 811 B6R0.4 CC(=O)OCCI CNP0274212.0 [0,2,0,0,0,0|0,0,2]=4 812 B6R0.4 CC(=O)OCCN CNP0165405.0 [0,2,0,0,0,0|0,0,2]=4 813 B6R0.4 CC(=O)OCCO CNP0589275.0 [0,2,0,0,0,0|0,0,2]=4 814 B6R0.4 CC(C)CC#CO CNP0482838.0 [0,2,0,0,0,0|1,0,1]=4 815 B6R0.4 CC(C)CC=NO CNP0235743.0 [0,2,0,0,0,0|1,0,1]=4 816 B6R0.4 CC(C)CCC#N CNP0386277.0 [0,2,0,0,0,0|1,0,0]=3 817 B6R0.4 CC(C)CCC=O CNP0198082.0 [0,2,0,0,0,0|1,0,0]=3 818 B6R0.4 CC(C)CCCO CNP0344466.0 [0,2,0,0,0,0|1,0,0]=3 819 B6R0.4 CC(C)CN=C=S CNP0414473.0 [0,2,0,0,0,0|1,0,1]=4 820 B6R0.4 CC(C)CNC=O CNP0473867.0 [0,2,0,0,0,0|1,0,1]=4 821 B6R0.4 CC(C)COC=O CNP0232692.0 [0,2,0,0,0,0|1,0,1]=4 822 B6R0.4 CC(C)CON=O CNP0224607.0 [0,2,0,0,0,0|2,0,0]=4 823 B6R0.4 CC(C)CSC#N CNP0268195.0 [0,2,0,0,0,0|1,0,1]=4 824 B6R0.4 CC(C)NCCN CNP0082470.0 [0,2,0,0,0,0|1,0,0]=3 825 B6R0.4 CC(C)NCCO CNP0141461.0 [0,2,0,0,0,0|1,0,0]=3 826 B6R0.4 CC(C)OCCO CNP0079907.0 [0,2,0,0,0,0|1,0,0]=3 827 B6R0.4 CC=CCC(=O)O CNP0610144.0 [0,2,0,0,0,0|1,0,1]=4 828 B6R0.4 CC=CCC(C)C CNP0081831.0 [0,2,0,0,0,0|1,0,0]=3 829 B6R0.4 CC=CCC(C)O CNP0217280.0 [0,2,0,0,0,0|0,0,0]=2 830 B6R0.4 CC=CCS(=S)O CNP0514093.0 [0,2,0,0,0,0|2,0,0]=4 831 B6R0.4 CCC=CC(=O)C CNP0129352.0 [0,2,0,0,0,0|0,0,2]=4 832 B6R0.4 CCC=CC(=O)O CNP0185292.0 [0,2,0,0,0,0|1,0,1]=4 833 B6R0.4 CCCC=C(C)O CNP0268446.0 [0,2,0,0,0,0|0,0,1]=3 834 B6R0.4 CCCCB(O)O CNP0482760.0 [0,2,0,0,0,0|2,0,0]=4 835 B6R0.4 CCCCC(=O)C CNP0194685.0 [0,2,0,0,0,0|0,0,2]=4 836 B6R0.4 CCCCC(=O)O CNP0144818.0 [0,2,0,0,0,0|1,0,1]=4 837 B6R0.4 CCCCC(C)C CNP0312749.0 [0,2,0,0,0,0|1,0,0]=3 838 B6R0.4 CCCC[11C](=O)O CNP0540258.0 [0,2,0,0,0,0|1,0,1]=4 839 B6R0.4 CCCC[C@@H](C)O CNP0276755.1 [0,2,0,0,0,0|0,0,0]=2 840 B6R0.4 CCCC[C@H](C)O CNP0276755.2 [0,2,0,0,0,0|0,0,0]=2 841 B6R0.4 CCCNC(=O)C CNP0115400.0 [0,2,0,0,0,0|0,0,2]=4 842 B6R0.4 CCCOC(=O)C CNP0274142.0 [0,2,0,0,0,0|0,0,2]=4 843 B6R0.4 CCCSC(=O)C CNP0076500.0 [0,2,0,0,0,0|0,0,2]=4 844 B6R0.4 CCCSC(C)C CNP0228244.0 [0,2,0,0,0,0|1,0,0]=3 845 B6R0.4 CCCSC(C)S CNP0609747.0 [0,2,0,0,0,0|0,1,0]=3 846 B6R0.4 CCCS[S+](C)[O-] CNP0597218.0 [0,2,0,0,0,0|1,0,1]=4 847 B6R0.4 CCNCC(=O)O CNP0076362.0 [0,2,0,0,0,0|1,0,1]=4 848 B6R0.4 CCNCC(C)C CNP0165310.0 [0,2,0,0,0,0|1,0,0]=3 849 B6R0.4 CCOCC(=O)O CNP0229583.0 [0,2,0,0,0,0|1,0,1]=4 850 B6R0.4 CCOC[C@@H](C)O CNP0076159.1 [0,2,0,0,0,0|0,0,0]=2 851 B6R0.4 CCSCC(C)C CNP0208462.0 [0,2,0,0,0,0|1,0,0]=3 852 B6R0.4 CCSSC(C)C CNP0003135.0 [0,2,0,0,0,0|1,0,0]=3 853 B6R0.4 CNCCC(=O)O CNP0502963.0 [0,2,0,0,0,0|1,0,1]=4 854 B6R0.4 CNCCC(C)C CNP0254439.0 [0,2,0,0,0,0|1,0,0]=3 855 B6R0.4 COCC=C(C)C CNP0493784.0 [0,2,0,0,0,0|1,0,1]=4 856 B6R0.4 COCCC(C)C CNP0316382.0 [0,2,0,0,0,0|1,0,0]=3 857 B6R0.4 COCCN(C)C CNP0429553.0 [0,2,0,0,0,0|2,0,0]=4 858 B6R0.4 CSCCC(=O)C CNP0353152.0 [0,2,0,0,0,0|0,0,2]=4 859 B6R0.4 CSCCC(=O)O CNP0143779.0 [0,2,0,0,0,0|1,0,1]=4 860 B6R0.4 CSCC[C@@H](C)O CNP0206291.1 [0,2,0,0,0,0|0,0,0]=2 861 B6R0.4 CSCSC(=O)C CNP0232862.0 [0,2,0,0,0,0|0,0,2]=4 862 B6R0.4 CSSC[S@@+](C)[O-] CNP0590331.1 [0,2,0,0,0,0|1,0,1]=4 863 B6R0.4 CSSC[S@@H+](C)[O-] CNP0509730.1 [0,2,0,0,0,0|1,0,1]=4 864 B6R0.4 C[S+](C)CCC=O CNP0136791.0 [0,2,0,0,0,0|2,0,0]=4 865 B6R0.4 C[S@+]([O-])CCCN CNP0591601.1 [0,2,0,0,0,0|1,0,1]=4 866 B6R0.4 C[S@H+]([O-])CCCN CNP0545944.1 [0,2,0,0,0,0|1,0,1]=4 867 B6R0.4 NCCCC(=O)O CNP0116256.0 [0,2,0,0,0,0|1,0,1]=4 868 B6R0.4 NCCOB(O)O CNP0548675.0 [0,2,0,0,0,0|2,0,0]=4 869 B6R0.4 NCCOP(O)O CNP0382987.0 [0,2,0,0,0,0|2,0,0]=4 870 B6R0.4 O=C(O)CCCO CNP0236331.0 [0,2,0,0,0,0|1,0,1]=4 871 B6R0.4 O=CCCC(=O)O CNP0318740.0 [0,2,0,0,0,0|1,0,1]=4 872 B6R0.5 CC(C)(O)CNCl CNP0247437.0 [0,2,0,0,0,0|1,0,0]=3 873 B6R0.5 CC(C)(S)CCO CNP0215542.0 [0,2,0,0,0,0|0,1,0]=3 874 B6R0.5 CC=CC(C)(C)C CNP0120515.0 [0,2,0,0,0,0|1,0,1]=4 875 B6R0.5 CCCC(C)(C)C CNP0308764.0 [0,2,0,0,0,0|1,0,0]=3 876 B6R0.5 CCCC(C)(C)O CNP0258393.0 [0,2,0,0,0,0|0,0,0]=2 877 B6R0.5 CCCC(O)(O)O CNP0084720.0 [0,2,0,0,0,0|1,0,0]=3 878 B6R0.5 CCC[N+](C)(C)C CNP0523784.0 [0,2,0,0,0,0|2,0,0]=4 879 B6R0.5 CCOC(C)(C)C CNP0285210.0 [0,2,0,0,0,0|1,0,0]=3 880 B6R0.5 CCOP(=O)(O)O CNP0147648.0 [0,2,0,0,0,0|2,0,0]=4 881 B6R0.5 CCOS(=O)(=O)C CNP0401842.0 [0,2,0,0,0,0|1,0,1]=4 882 B6R0.5 CCOS(=O)(=O)O CNP0264305.0 [0,2,0,0,0,0|2,0,0]=4 883 B6R0.5 CCSC(C)(C)C CNP0186557.0 [0,2,0,0,0,0|1,0,0]=3 884 B6R0.5 CSCS(=O)(=O)C CNP0157265.0 [0,2,0,0,0,0|1,0,1]=4 885 B6R0.5 C[As+](C)(C)CCO CNP0083842.0 [0,2,0,0,0,0|2,0,0]=4 886 B6R0.5 C[As](=O)(C)CCO CNP0236295.0 [0,2,0,0,0,0|1,0,1]=4 887 B6R0.5 C[N+](C)(C)CCO CNP0161849.0 [0,2,0,0,0,0|2,0,0]=4 888 B6R0.5 C[N+](C)(C)CCO CNP0522731.0 [0,2,0,0,0,0|2,0,0]=4 889 B6R0.5 C[N+](C)(C)CCS CNP0555759.0 [0,2,0,0,0,0|2,0,0]=4 890 B6R0.5 C[N+](C)([11CH3])CCO CNP0547808.0 [0,2,0,0,0,0|2,0,0]=4 891 B6R0.5 C[N+](C)([11CH3])CCO CNP0580308.0 [0,2,0,0,0,0|2,0,0]=4 892 B6R0.5 C[S+](=O)(C)CCO CNP0428132.0 [0,2,0,0,0,0|1,0,1]=4 893 B6R0.5 NCCP(=O)(O)O CNP0284279.0 [0,2,0,0,0,0|2,0,0]=4 894 B6R0.5 NCCS(=O)(=O)O CNP0178735.0 [0,2,0,0,0,0|2,0,0]=4 895 B6R0.5 NCC[S@](=O)(=S)O CNP0018006.1 [0,2,0,0,0,0|2,0,0]=4 896 B6R0.5 O=P(O)(O)CCBr CNP0439057.0 [0,2,0,0,0,0|2,0,0]=4 897 B6R0.5 O=P(O)(O)CCCl CNP0610068.0 [0,2,0,0,0,0|2,0,0]=4 898 B6R0.5 O=P(O)(O)CCO CNP0207938.0 [0,2,0,0,0,0|2,0,0]=4 899 B6R0.5 O=S(=O)(O)CCO CNP0267265.0 [0,2,0,0,0,0|2,0,0]=4 900 B6R0.5 O=S(=O)(O)CCS CNP0132548.0 [0,2,0,0,0,0|2,0,0]=4 901 B6R0.8 C=CC(C)(O)CC CNP0352178.0 [0,2,0,0,0,0|0,0,0]=2 902 B6R0.8 CC(C)(OO)OO CNP0338983.0 [0,2,0,0,0,0|2,0,0]=4 903 B6R0.8 CC(N)(CO)CO CNP0076432.0 [0,2,0,0,0,0|1,0,0]=3 904 B6R0.8 CCC(C)(C)CC CNP0117655.0 [0,2,0,0,0,0|1,0,0]=3 905 B6R0.8 CCC(C)(C)SC CNP0141733.0 [0,2,0,0,0,0|0,1,0]=3 906 B6R0.8 CCC(C)(O)CC CNP0314635.0 [0,2,0,0,0,0|0,0,0]=2 907 B6R0.8 CCC(C)(O)CO CNP0308368.0 [0,2,0,0,0,0|0,0,0]=2 908 B6R0.8 CC[C@@](C)(O)C#N CNP0366563.1 [0,2,0,0,0,0|0,0,0]=2 909 B6R0.8 CC[C@](C)(N)C#N CNP0302888.1 [0,2,0,0,0,0|1,0,0]=3 910 B6R0.8 CC[Si](Cl)(Cl)CC CNP0296955.0 [0,2,0,0,0,0|1,1,0]=4 911 B6R0.8 COP(=S)(O)OC CNP0573753.0 [0,2,0,0,0,0|2,0,0]=4 912 B6R0.8 CP(=O)(CO)CO CNP0039491.0 [0,2,0,0,0,0|2,0,0]=4 913 B6R0.8 CSC(C)(C)C=O CNP0126812.0 [0,2,0,0,0,0|1,0,1]=4 914 B6R0.8 CSC(C)(C)SC CNP0076175.0 [0,2,0,0,0,0|1,1,0]=4 915 B6R0.9 C=CC(OC)OC CNP0324949.0 [0,2,0,0,0,0|0,0,2]=4 916 B6R0.9 C=C[C@@H](CC)OC CNP0276971.1 [0,2,0,0,0,0|0,0,1]=3 917 B6R0.9 CC=C(C=O)CC CNP0086295.0 [0,2,0,0,0,0|0,0,2]=4 918 B6R0.9 CC=C(CC)CC CNP0246886.0 [0,2,0,0,0,0|1,0,1]=4 919 B6R0.9 CC=C(CC)CO CNP0059417.0 [0,2,0,0,0,0|0,0,1]=3 920 B6R0.9 CCC(C#N)CC CNP0152089.0 [0,2,0,0,0,0|1,0,0]=3 921 B6R0.9 CCC(C=O)CC CNP0353251.0 [0,2,0,0,0,0|0,0,1]=3 922 B6R0.9 CCC(CC)CC CNP0205695.0 [0,2,0,0,0,0|1,0,0]=3 923 B6R0.9 CCC(CC)SC CNP0410895.0 [0,2,0,0,0,0|0,1,0]=3 924 B6R0.9 CCC(OC)OC CNP0171881.0 [0,2,0,0,0,0|0,0,0]=2 925 B6R0.9 CCN(CC)CC CNP0209343.0 [0,2,0,0,0,0|2,0,0]=4 926 B6R0.9 CCN(CC)N=O CNP0419123.0 [0,2,0,0,0,0|1,0,1]=4 927 B6R0.9 CCP(CC)CC CNP0368013.0 [0,2,0,0,0,0|2,0,0]=4 928 B6R0.9 COC(CO)CO CNP0242404.0 [0,2,0,0,0,0|1,0,0]=3 929 B6R0.9 OCC(=NO)CO CNP0288617.0 [0,2,0,0,0,0|1,0,1]=4 930 B6R0.7 CC(=O)C(C)(C)Br CNP0058151.0 [0,2,0,0,0,0|0,0,2]=4 931 B6R0.7 CC(=O)C(C)(C)O CNP0323322.0 [0,2,0,0,0,0|0,0,1]=3 932 B6R0.7 CC(C)(C)C(=O)O CNP0343251.0 [0,2,0,0,0,0|1,0,1]=4 933 B6R0.7 CC(C)(N)C(=O)O CNP0299823.0 [0,2,0,0,0,0|1,0,1]=4 934 B6R0.7 CC(C)(O)C(=O)O CNP0230065.0 [0,2,0,0,0,0|1,0,1]=4 935 B6R0.7 CC(C)C(C)(C)C CNP0107952.0 [0,2,0,0,0,0|1,0,0]=3 936 B6R0.7 CC(O)C(C)(C)O CNP0491018.0 [0,2,0,0,0,0|0,0,0]=2 937 B6R0.7 C[C@@H](N)P(=O)(O)O CNP0371160.2 [0,2,0,0,0,0|2,0,0]=4 938 B6R0.7 C[C@@H](O)S(=O)(=O)O CNP0184679.1 [0,2,0,0,0,0|2,0,0]=4 939 B6R0.7 C[C@H](N)P(=O)(O)O CNP0371160.1 [0,2,0,0,0,0|2,0,0]=4 940 B6R0.7 OC(O)C(Br)(Br)Br CNP0331626.0 [0,2,0,0,0,0|2,0,0]=4 941 B6R0.7 OC(O)C(Cl)(Cl)Cl CNP0415716.0 [0,2,0,0,0,0|2,0,0]=4 942 B4R1.1 C1=COC1 CNP0610072.0 [1,0,0,1,0,0|0,0,2]=4 943 B4R1.1 C1CCC1 CNP0580344.0 [1,0,0,1,0,0|0,0,0]=2 944 B4R1.1 C1CSC1 CNP0598686.0 [1,0,0,1,0,0|0,1,0]=3 945 B4R1.2 CC1=CC1 CNP0610335.0 [1,0,0,1,0,0|0,0,2]=4 946 B4R1.2 CC1CC1 CNP0597751.0 [1,0,0,1,0,0|0,0,0]=2 947 B4R1.2 CC1CN1 CNP0565195.0 [1,0,0,1,0,0|1,0,0]=3 948 B4R1.2 CC1CO1 CNP0586888.0 [1,0,0,1,0,0|0,0,0]=2 949 B4R1.2 CC1CS1 CNP0482664.0 [1,0,0,1,0,0|0,1,0]=3 950 B4R1.2 C[C@H]1CS1 CNP0482664.1 [1,0,0,1,0,0|0,1,0]=3 951 B4R1.2 NC1CC1 CNP0519928.0 [1,0,0,1,0,0|1,0,0]=3 952 B4R1.2 OC1OO1 CNP0541068.0 [1,0,0,1,0,0|2,0,0]=4 953 B6R1.2 C=C1CCCC1 CNP0338602.0 [0,1,0,1,0,0|1,0,1]=4 954 B6R1.2 CC1=CCCC1 CNP0610106.0 [0,1,0,1,0,0|1,0,1]=4 955 B6R1.2 CC1=CCCS1 CNP0003101.0 [0,1,0,1,0,0|0,1,1]=4 956 B6R1.2 CC1=CCOC1 CNP0516552.0 [0,1,0,1,0,0|0,0,2]=4 957 B6R1.2 CC1=COCC1 CNP0002470.0 [0,1,0,1,0,0|0,0,1]=3 958 B6R1.2 CC1=NCCO1 CNP0601624.0 [0,1,0,1,0,0|0,0,1]=3 959 B6R1.2 CC1=NCCS1 CNP0225264.0 [0,1,0,1,0,0|0,1,1]=4 960 B6R1.2 CC1=NCSC1 CNP0134706.0 [0,1,0,1,0,0|1,0,1]=4 961 B6R1.2 CC1C=COC1 CNP0165220.0 [0,1,0,1,0,0|0,0,2]=4 962 B6R1.2 CC1CC=CS1 CNP0249135.0 [0,1,0,1,0,0|0,1,1]=4 963 B6R1.2 CC1CCCC1 CNP0194612.0 [0,1,0,1,0,0|1,0,0]=3 964 B6R1.2 CC1CCCO1 CNP0502439.0 [0,1,0,1,0,0|0,0,0]=2 965 B6R1.2 CC1OCCO1 CNP0611683.0 [0,1,0,1,0,0|0,0,0]=2 966 B6R1.2 CC1SCCS1 CNP0002932.0 [0,1,0,1,0,0|0,1,0]=3 967 B6R1.2 CN1CCCC1 CNP0395436.0 [0,1,0,1,0,0|2,0,0]=4 968 B6R1.2 C[C@@H]1C=CNC1 CNP0309884.1 [0,1,0,1,0,0|1,0,1]=4 969 B6R1.2 C[C@@H]1CCCN1 CNP0080827.1 [0,1,0,1,0,0|1,0,0]=3 970 B6R1.2 C[C@@H]1CCSC1 CNP0174337.1 [0,1,0,1,0,0|0,1,0]=3 971 B6R1.2 C[C@H]1NCCS1 CNP0150573.1 [0,1,0,1,0,0|0,1,0]=3 972 B6R1.2 C[N+]1=CCCC1 CNP0251573.0 [0,1,0,1,0,0|2,0,0]=4 973 B6R1.2 NN1CCCC1 CNP0577233.0 [0,1,0,1,0,0|2,0,0]=4 974 B6R1.2 O=C1CCCC1 CNP0287963.0 [0,1,0,1,0,0|0,0,2]=4 975 B6R1.2 O=C1CCCN1 CNP0127855.0 [0,1,0,1,0,0|0,0,2]=4 976 B6R1.2 O=C1CCCO1 CNP0315299.0 [0,1,0,1,0,0|0,0,2]=4 977 B6R1.2 O=C1CCCS1 CNP0084584.0 [0,1,0,1,0,0|0,0,2]=4 978 B6R1.2 O=C1CCOC1 CNP0051503.0 [0,1,0,1,0,0|0,0,2]=4 979 B6R1.2 O=C1CCON1 CNP0325381.0 [0,1,0,1,0,0|1,0,1]=4 980 B6R1.2 O=C1CCSC1 CNP0003522.0 [0,1,0,1,0,0|0,0,2]=4 981 B6R1.2 O=C1NCCO1 CNP0064744.0 [0,1,0,1,0,0|1,0,1]=4 982 B6R1.2 OB1OCCO1 CNP0510130.0 [0,1,0,1,0,0|2,0,0]=4 983 B6R1.2 OC1=NCCC1 CNP0485346.0 [0,1,0,1,0,0|0,0,1]=3 984 B6R1.2 OC1=NOCC1 CNP0504784.0 [0,1,0,1,0,0|1,0,1]=4 985 B6R1.2 OC1CCCC1 CNP0085994.0 [0,1,0,1,0,0|0,0,0]=2 986 B6R1.2 OC1CSSC1 CNP0317557.0 [0,1,0,1,0,0|1,0,0]=3 987 B6R1.2 O[C@H]1CNOC1 CNP0590444.1 [0,1,0,1,0,0|1,0,0]=3 988 B6R1.2 S=C1NCCO1 CNP0275785.0 [0,1,0,1,0,0|1,0,1]=4 989 B6R1.2 SC1=NCCO1 CNP0580429.0 [0,1,0,1,0,0|1,0,1]=4 990 B6R1.2 SC1CCCC1 CNP0280825.0 [0,1,0,1,0,0|0,1,0]=3 991 B6R1.2 SC1CCCS1 CNP0002503.0 [0,1,0,1,0,0|0,1,0]=3 992 B6R1.2 [O-][N+]1=CCCC1 CNP0558986.0 [0,1,0,1,0,0|1,0,1]=4 993 B6R1.3 CCCC1CC1 CNP0506060.0 [0,1,0,1,0,0|1,0,0]=3 994 B6R1.3 N#CC[C@@H]1CS1 CNP0134968.2 [0,1,0,1,0,0|0,1,1]=4 995 B6R1.3 N#CC[C@H]1CS1 CNP0134968.1 [0,1,0,1,0,0|0,1,1]=4 996 B6R1.3 NCCN1CC1 CNP0522628.0 [0,1,0,1,0,0|2,0,0]=4 997 B6R1.5 C[C@H]1CC(=O)O1 CNP0232064.1 [0,1,0,1,0,0|0,0,1]=3 998 B6R1.5 O=C1C[C@@H](O1)O CNP0300715.1 [0,1,0,1,0,0|1,0,1]=4 999 B6R1.8 CC[C@@H]1C[C@@H]1C CNP0076250.1 [0,1,0,1,0,0|1,0,0]=3 1000 B6R1.8 O=C1CC1CO CNP0073765.0 [0,1,0,1,0,0|0,0,2]=4 1001 B6R1.9 CC1CC1(C)C CNP0507743.0 [0,1,0,1,0,0|1,0,0]=3 1002 B6R1.9 ClC1OC1(Cl)Cl CNP0339973.0 [0,1,0,1,0,0|2,0,0]=4 1003 B6R1.10 CC1(CCO1)C CNP0252865.0 [0,1,0,1,0,0|0,0,0]=2 1004 B6R1.10 CC1(CCS1)C CNP0181332.0 [0,1,0,1,0,0|0,1,0]=3 1005 B6R1.4 C[C@@H]1CCC1=O CNP0253900.1 [0,1,0,1,0,0|0,0,1]=3 1006 B6R1.4 C[C@H]1CS[C@@H]1C CNP0207395.1 [0,1,0,1,0,0|0,1,0]=3 1007 B6R1.6 OCC1C=CC1 CNP0202846.0 [0,1,0,1,0,0|0,0,2]=4 1008 B6R2.4 O1O[C@@H]2[C@H]1O2 CNP0528839.1 [0,0,0,2,0,0|2,0,0]=4