0 B3R0.1 BrCCBr CNP0591557.0 [0,0,0,0,0,0|3,0,1]=4 1 B3R0.1 BrCCI CNP0495630.0 [0,0,0,0,0,0|3,0,1]=4 2 B3R0.1 C#CC#N CNP0520572.0 [0,0,0,0,0,0|2,0,2]=4 3 B3R0.1 C#CC=O CNP0511000.0 [0,0,0,0,0,0|1,1,2]=4 4 B3R0.1 C#CCC CNP0509561.0 [0,0,0,0,0,0|2,0,1]=3 5 B3R0.1 C#CCO CNP0488604.0 [0,0,0,0,0,0|1,1,2]=4 6 B3R0.1 C#[N+]CC CNP0559170.0 [0,0,0,0,0,0|3,0,0]=3 7 B3R0.1 C=C=CBr CNP0595246.0 [0,0,0,0,0,0|3,0,0]=3 8 B3R0.1 C=C=CC CNP0584937.0 [0,0,0,0,0,0|2,0,0]=2 9 B3R0.1 C=CC#N CNP0580732.0 [0,0,0,0,0,0|2,0,2]=4 10 B3R0.1 C=CC=C CNP0574781.0 [0,0,0,0,0,0|2,0,2]=4 11 B3R0.1 C=CC=O CNP0603221.0 [0,0,0,0,0,0|1,1,2]=4 12 B3R0.1 C=CC=S CNP0501678.0 [0,0,0,0,0,0|1,0,2]=3 13 B3R0.1 C=CCC CNP0490956.0 [0,0,0,0,0,0|2,0,1]=3 14 B3R0.1 C=CCN CNP0585503.0 [0,0,0,0,0,0|2,0,2]=4 15 B3R0.1 C=CCO CNP0561492.0 [0,0,0,0,0,0|1,1,2]=4 16 B3R0.1 C=CCS CNP0575677.0 [0,0,0,0,0,0|1,0,3]=4 17 B3R0.1 C=COC CNP0611794.0 [0,0,0,0,0,0|2,0,1]=3 18 B3R0.1 CC#CC CNP0556029.0 [0,0,0,0,0,0|2,0,1]=3 19 B3R0.1 CC=CBr CNP0509639.0 [0,0,0,0,0,0|2,0,1]=3 20 B3R0.1 CC=CC CNP0597271.0 [0,0,0,0,0,0|2,0,1]=3 21 B3R0.1 CC=CS CNP0589530.0 [0,0,0,0,0,0|1,0,2]=3 22 B3R0.1 CC=NO CNP0512137.0 [0,0,0,0,0,0|2,0,1]=3 23 B3R0.1 CC=[N+]=[N-] CNP0532727.0 [0,0,0,0,0,0|3,0,0]=3 24 B3R0.1 CCC#N CNP0564998.0 [0,0,0,0,0,0|2,0,1]=3 25 B3R0.1 CCC=O CNP0570013.0 [0,0,0,0,0,0|1,1,1]=3 26 B3R0.1 CCC=S CNP0546828.0 [0,0,0,0,0,0|1,0,1]=2 27 B3R0.1 CCCBr CNP0561445.0 [0,0,0,0,0,0|2,0,1]=3 28 B3R0.1 CCCC CNP0597736.0 [0,0,0,0,0,0|2,0,1]=3 29 B3R0.1 CCCI CNP0596010.0 [0,0,0,0,0,0|2,0,1]=3 30 B3R0.1 CCCN CNP0600530.0 [0,0,0,0,0,0|2,0,1]=3 31 B3R0.1 CCCO CNP0605151.0 [0,0,0,0,0,0|1,1,1]=3 32 B3R0.1 CCCS CNP0572992.0 [0,0,0,0,0,0|1,0,2]=3 33 B3R0.1 CCN=O CNP0552947.0 [0,0,0,0,0,0|2,0,1]=3 34 B3R0.1 CCNC CNP0563252.0 [0,0,0,0,0,0|1,0,2]=3 35 B3R0.1 CCOC CNP0484105.0 [0,0,0,0,0,0|2,0,1]=3 36 B3R0.1 CCOO CNP0591807.0 [0,0,0,0,0,0|2,1,0]=3 37 B3R0.1 CCSC CNP0596541.0 [0,0,0,0,0,0|2,0,1]=3 38 B3R0.1 CCSO CNP0559716.0 [0,0,0,0,0,0|2,1,0]=3 39 B3R0.1 CN=C=O CNP0542197.0 [0,0,0,0,0,0|0,1,0]=1 40 B3R0.1 CN=C=S CNP0601890.0 [0,0,0,0,0,0|0,0,0]=0 41 B3R0.1 CNC=O CNP0565671.0 [0,0,0,0,0,0|0,1,2]=3 42 B3R0.1 CNNC CNP0493834.0 [0,0,0,0,0,0|2,0,1]=3 43 B3R0.1 COC=O CNP0494242.0 [0,0,0,0,0,0|1,1,1]=3 44 B3R0.1 COOC CNP0610139.0 [0,0,0,0,0,0|3,0,0]=3 45 B3R0.1 CSC#N CNP0493602.0 [0,0,0,0,0,0|2,0,1]=3 46 B3R0.1 CSSC CNP0600942.0 [0,0,0,0,0,0|3,0,0]=3 47 B3R0.1 C[Se][Se]C CNP0508246.0 [0,0,0,0,0,0|3,0,0]=3 48 B3R0.1 ClC#CCl CNP0502936.0 [0,0,0,0,0,0|3,0,1]=4 49 B3R0.1 ClC=CCl CNP0610334.0 [0,0,0,0,0,0|3,0,1]=4 50 B3R0.1 ClCCBr CNP0493040.0 [0,0,0,0,0,0|3,0,1]=4 51 B3R0.1 ClCCCl CNP0592018.0 [0,0,0,0,0,0|3,0,1]=4 52 B3R0.1 N#CC#N CNP0605389.0 [0,0,0,0,0,0|3,0,1]=4 53 B3R0.1 N#CCI CNP0547629.0 [0,0,0,0,0,0|3,0,1]=4 54 B3R0.1 N#CCS CNP0566385.0 [0,0,0,0,0,0|2,0,2]=4 55 B3R0.1 N#CSO CNP0569271.0 [0,0,0,0,0,0|3,0,1]=4 56 B3R0.1 N=CCN CNP0547283.0 [0,0,0,0,0,0|3,0,1]=4 57 B3R0.1 NC=CS CNP0577276.0 [0,0,0,0,0,0|2,0,2]=4 58 B3R0.1 NCC=O CNP0566697.0 [0,0,0,0,0,0|2,1,1]=4 59 B3R0.1 NCCN CNP0531974.0 [0,0,0,0,0,0|3,0,1]=4 60 B3R0.1 NCCO CNP0581653.0 [0,0,0,0,0,0|2,1,1]=4 61 B3R0.1 NCCS CNP0490978.0 [0,0,0,0,0,0|2,0,2]=4 62 B3R0.1 NCC[O] CNP0586934.0 [0,0,0,0,0,0|2,1,1]=4 63 B3R0.1 NNC=O CNP0501881.0 [0,0,0,0,0,0|1,1,2]=4 64 B3R0.1 O=BOO CNP0541096.0 [0,0,0,0,0,0|3,1,0]=4 65 B3R0.1 O=CC=O CNP0605189.0 [0,0,0,0,0,0|2,1,1]=4 66 B3R0.1 O=CCBr CNP0516788.0 [0,0,0,0,0,0|2,1,1]=4 67 B3R0.1 O=CCO CNP0600524.0 [0,0,0,0,0,0|2,1,1]=4 68 B3R0.1 O=CCS CNP0591045.0 [0,0,0,0,0,0|2,0,2]=4 69 B3R0.1 O=NOO CNP0508221.0 [0,0,0,0,0,0|2,1,0]=3 70 B3R0.1 OC=CO CNP0508859.0 [0,0,0,0,0,0|2,1,1]=4 71 B3R0.1 OCCCl CNP0532317.0 [0,0,0,0,0,0|2,1,1]=4 72 B3R0.1 OCCI CNP0489668.0 [0,0,0,0,0,0|2,1,1]=4 73 B3R0.1 OCCO CNP0484938.0 [0,0,0,0,0,0|2,1,1]=4 74 B3R0.1 OCCS CNP0576505.0 [0,0,0,0,0,0|2,0,2]=4 75 B3R0.1 SCCS CNP0506336.0 [0,0,0,0,0,0|2,0,2]=4 76 B2R0.1 BrCBr CNP0494232.0 [1,0,0,0,0,0|2,0,1]=4 77 B2R0.1 BrCI CNP0594254.0 [1,0,0,0,0,0|2,0,1]=4 78 B2R0.1 C=CBr CNP0609063.0 [1,0,0,0,0,0|1,0,2]=4 79 B2R0.1 C=CC CNP0522895.0 [1,0,0,0,0,0|1,0,1]=3 80 B2R0.1 C=CO CNP0606787.0 [1,0,0,0,0,0|0,1,2]=4 81 B2R0.1 C=C[O] CNP0584213.0 [1,0,0,0,0,0|0,1,2]=4 82 B2R0.1 C=NO CNP0573273.0 [1,0,0,0,0,0|0,1,1]=3 83 B2R0.1 C=[N+]=[N-] CNP0484380.0 [1,0,0,0,0,0|1,0,2]=4 84 B2R0.1 CC#N CNP0510997.0 [1,0,0,0,0,0|1,0,1]=3 85 B2R0.1 CC=O CNP0566693.0 [1,0,0,0,0,0|0,1,1]=3 86 B2R0.1 CCBr CNP0511569.0 [1,0,0,0,0,0|1,0,1]=3 87 B2R0.1 CCC CNP0529348.0 [1,0,0,0,0,0|1,0,1]=3 88 B2R0.1 CCCl CNP0605324.0 [1,0,0,0,0,0|1,0,1]=3 89 B2R0.1 CCI CNP0562236.0 [1,0,0,0,0,0|1,0,1]=3 90 B2R0.1 CCN CNP0561286.0 [1,0,0,0,0,0|1,0,1]=3 91 B2R0.1 CCO CNP0546367.0 [1,0,0,0,0,0|0,1,1]=3 92 B2R0.1 CCS CNP0491795.0 [1,0,0,0,0,0|0,0,2]=3 93 B2R0.1 CN=N CNP0513298.0 [1,0,0,0,0,0|1,0,0]=2 94 B2R0.1 CNC CNP0491602.0 [1,0,0,0,0,0|0,0,2]=3 95 B2R0.1 CNN CNP0609070.0 [1,0,0,0,0,0|1,0,1]=3 96 B2R0.1 COC CNP0580850.0 [1,0,0,0,0,0|1,0,1]=3 97 B2R0.1 CON CNP0566773.0 [1,0,0,0,0,0|2,0,0]=3 98 B2R0.1 CPC CNP0528872.0 [1,0,0,0,0,0|0,1,1]=3 99 B2R0.1 CSC CNP0569922.0 [1,0,0,0,0,0|1,0,1]=3 100 B2R0.1 CSS CNP0611991.0 [1,0,0,0,0,0|1,0,1]=3 101 B2R0.1 C[C]=O CNP0538355.0 [1,0,0,0,0,0|0,1,1]=3 102 B2R0.1 C[C]O CNP0601692.0 [1,0,0,0,0,0|0,1,1]=3 103 B2R0.1 C[Se]C CNP0500399.0 [1,0,0,0,0,0|1,0,1]=3 104 B2R0.1 C[Te]C CNP0483858.0 [1,0,0,0,0,0|1,0,1]=3 105 B2R0.1 ClCBr CNP0528283.0 [1,0,0,0,0,0|2,0,1]=4 106 B2R0.1 ClCCl CNP0529345.0 [1,0,0,0,0,0|2,0,1]=4 107 B2R0.1 ClCI CNP0600514.0 [1,0,0,0,0,0|2,0,1]=4 108 B2R0.1 Cl[223Ra]Cl CNP0546854.0 [1,0,0,0,0,0|3,0,0]=4 109 B2R0.1 Cl[Cu]Cl CNP0563720.0 [1,0,0,0,0,0|3,0,0]=4 110 B2R0.1 Cl[Hg]Cl CNP0530716.0 [1,0,0,0,0,0|3,0,0]=4 111 B2R0.1 ICI CNP0526769.0 [1,0,0,0,0,0|2,0,1]=4 112 B2R0.1 I[Hg]I CNP0491780.0 [1,0,0,0,0,0|3,0,0]=4 113 B2R0.1 N#CN CNP0538292.0 [1,0,0,0,0,0|1,0,2]=4 114 B2R0.1 N#CO CNP0521200.0 [1,0,0,0,0,0|0,1,2]=4 115 B2R0.1 N#CS CNP0590020.0 [1,0,0,0,0,0|0,0,3]=4 116 B2R0.1 N#[N+][O-] CNP0537011.0 [1,0,0,0,0,0|1,1,1]=4 117 B2R0.1 N=C=O CNP0504564.0 [1,0,0,0,0,0|0,1,0]=2 118 B2R0.1 N=C=S CNP0609053.0 [1,0,0,0,0,0|0,0,0]=1 119 B2R0.1 NC=O CNP0569834.0 [1,0,0,0,0,0|0,1,2]=4 120 B2R0.1 NN=O CNP0610110.0 [1,0,0,0,0,0|1,1,0]=3 121 B2R0.1 O=BO CNP0512281.0 [1,0,0,0,0,0|2,1,0]=4 122 B2R0.1 O=C=O CNP0566212.0 [1,0,0,0,0,0|1,1,0]=3 123 B2R0.1 O=C=S CNP0558182.0 [1,0,0,0,0,0|1,0,0]=2 124 B2R0.1 O=CO CNP0494819.0 [1,0,0,0,0,0|1,1,1]=4 125 B2R0.1 O=NCl CNP0485266.0 [1,0,0,0,0,0|1,1,0]=3 126 B2R0.1 O=NO CNP0506888.0 [1,0,0,0,0,0|1,1,0]=3 127 B2R0.1 O=PO CNP0574430.0 [1,0,0,0,0,0|1,2,0]=4 128 B2R0.1 O=S=O CNP0483725.0 [1,0,0,0,0,0|2,1,0]=4 129 B2R0.1 O=[Mn]=O CNP0493383.0 [1,0,0,0,0,0|2,1,0]=4 130 B2R0.1 O=[Mn]=O CNP0609067.0 [1,0,0,0,0,0|2,1,0]=4 131 B2R0.1 O=[O+][O-] CNP0518683.0 [1,0,0,0,0,0|2,1,0]=4 132 B2R0.1 O=[Se]=O CNP0593099.0 [1,0,0,0,0,0|2,1,0]=4 133 B2R0.1 O=[Si]=O CNP0514392.0 [1,0,0,0,0,0|1,2,0]=4 134 B2R0.1 O=[Te]=O CNP0564386.0 [1,0,0,0,0,0|2,1,0]=4 135 B2R0.1 O=[Ti]=O CNP0587503.0 [1,0,0,0,0,0|2,1,0]=4 136 B2R0.1 OCO CNP0551435.0 [1,0,0,0,0,0|1,1,1]=4 137 B2R0.1 OOO CNP0557106.0 [1,0,0,0,0,0|2,1,0]=4 138 B2R0.1 OPO CNP0602064.0 [1,0,0,0,0,0|1,2,0]=4 139 B2R0.1 S=C=S CNP0482880.0 [1,0,0,0,0,0|1,0,0]=2 140 B2R0.1 S=S=S CNP0503807.0 [1,0,0,0,0,0|2,0,0]=3 141 B2R0.1 S=[Se]=S CNP0553318.0 [1,0,0,0,0,0|2,0,0]=3 142 B2R0.1 SCS CNP0488241.0 [1,0,0,0,0,0|1,0,2]=4 143 B2R0.1 [C-]#[N+]C CNP0561919.0 [1,0,0,0,0,0|0,0,2]=3 144 B2R0.1 [CH-]=CC CNP0546792.0 [1,0,0,0,0,0|1,0,1]=3 145 B2R0.1 [CH2]CC CNP0535049.0 [1,0,0,0,0,0|1,0,1]=3 146 B2R0.1 [N-]=[N+]=N CNP0499493.0 [1,0,0,0,0,0|2,0,0]=3 147 B2R0.1 [O-][Cl+]O CNP0497237.0 [1,0,0,0,0,0|2,1,0]=4 148 B4R0.1 C#CC(=C)C CNP0599820.0 [0,1,0,0,0,0|2,0,1]=4 149 B4R0.1 C#CC(C)C CNP0586699.0 [0,1,0,0,0,0|2,0,1]=4 150 B4R0.1 C=C(C)C#N CNP0560504.0 [0,1,0,0,0,0|2,0,1]=4 151 B4R0.1 C=C(C)C=O CNP0479149.0 [0,1,0,0,0,0|1,1,1]=4 152 B4R0.1 C=C(C)CC CNP0605035.0 [0,1,0,0,0,0|2,0,1]=4 153 B4R0.1 C=C(C)CO CNP0505353.0 [0,1,0,0,0,0|1,1,1]=4 154 B4R0.1 C=CC(=C)C CNP0489519.0 [0,1,0,0,0,0|2,0,1]=4 155 B4R0.1 C=CC(=O)C CNP0571315.0 [0,1,0,0,0,0|2,0,1]=4 156 B4R0.1 C=CC(C)C CNP0589769.0 [0,1,0,0,0,0|2,0,1]=4 157 B4R0.1 C=C[C@@H](C)O CNP0512445.2 [0,1,0,0,0,0|2,0,1]=4 158 B4R0.1 C=C[C@H](C)O CNP0512445.1 [0,1,0,0,0,0|2,0,1]=4 159 B4R0.1 CC(=NO)C CNP0591673.0 [0,1,0,0,0,0|2,0,1]=4 160 B4R0.1 CC(=O)C#N CNP0551952.0 [0,1,0,0,0,0|2,0,1]=4 161 B4R0.1 CC(=O)C=O CNP0574322.0 [0,1,0,0,0,0|1,1,1]=4 162 B4R0.1 CC(=O)CBr CNP0602861.0 [0,1,0,0,0,0|2,0,1]=4 163 B4R0.1 CC(=O)CI CNP0515381.0 [0,1,0,0,0,0|2,0,1]=4 164 B4R0.1 CC(=O)CN CNP0602829.0 [0,1,0,0,0,0|2,0,1]=4 165 B4R0.1 CC(=O)CO CNP0487266.0 [0,1,0,0,0,0|1,1,1]=4 166 B4R0.1 CC(=O)CS CNP0514893.0 [0,1,0,0,0,0|1,0,2]=4 167 B4R0.1 CC(=O)N=N CNP0591627.0 [0,1,0,0,0,0|1,1,1]=4 168 B4R0.1 CC(=O)NN CNP0503904.0 [0,1,0,0,0,0|3,0,0]=4 169 B4R0.1 CC(=O)NO CNP0518042.0 [0,1,0,0,0,0|2,1,0]=4 170 B4R0.1 CC(=O)OO CNP0491052.0 [0,1,0,0,0,0|2,1,0]=4 171 B4R0.1 CC(=O)O[Hg+] CNP0504265.0 [0,1,0,0,0,0|3,0,0]=4 172 B4R0.1 CC(C)C=O CNP0511471.0 [0,1,0,0,0,0|1,1,1]=4 173 B4R0.1 CC(C)C=[17O] CNP0484940.0 [0,1,0,0,0,0|1,1,1]=4 174 B4R0.1 CC(C)CN CNP0490050.0 [0,1,0,0,0,0|2,0,1]=4 175 B4R0.1 CC(C)CO CNP0493868.0 [0,1,0,0,0,0|1,1,1]=4 176 B4R0.1 CC(C)CS CNP0494383.0 [0,1,0,0,0,0|1,0,2]=4 177 B4R0.1 CC(N)C#N CNP0567528.0 [0,1,0,0,0,0|2,0,1]=4 178 B4R0.1 CC(N)C=O CNP0531209.0 [0,1,0,0,0,0|1,1,1]=4 179 B4R0.1 CC(N)CN CNP0579261.0 [0,1,0,0,0,0|2,0,1]=4 180 B4R0.1 CC(S)CS CNP0488983.0 [0,1,0,0,0,0|1,0,2]=4 181 B4R0.1 CC=C(C)C CNP0502707.0 [0,1,0,0,0,0|2,0,1]=4 182 B4R0.1 CCC(=N)S CNP0544659.0 [0,1,0,0,0,0|1,0,2]=4 183 B4R0.1 CCC(=O)Br CNP0583620.0 [0,1,0,0,0,0|1,1,1]=4 184 B4R0.1 CCC(=O)C CNP0486447.0 [0,1,0,0,0,0|1,1,1]=4 185 B4R0.1 CCC(=O)Cl CNP0502198.0 [0,1,0,0,0,0|1,1,1]=4 186 B4R0.1 CCC(=O)I CNP0549008.0 [0,1,0,0,0,0|1,1,1]=4 187 B4R0.1 CCC(=O)N CNP0512752.0 [0,1,0,0,0,0|1,1,1]=4 188 B4R0.1 CCC(=O)O CNP0572679.0 [0,1,0,0,0,0|1,1,1]=4 189 B4R0.1 CCC(=O)[O-] CNP0505645.0 [0,1,0,0,0,0|1,1,1]=4 190 B4R0.1 CCC(=O)[O-] CNP0584211.0 [0,1,0,0,0,0|1,1,1]=4 191 B4R0.1 CCC(=O)[O-] CNP0604604.0 [0,1,0,0,0,0|1,1,1]=4 192 B4R0.1 CCC(C)C CNP0492867.0 [0,1,0,0,0,0|2,0,1]=4 193 B4R0.1 CCC(C)N CNP0520467.0 [0,1,0,0,0,0|2,0,1]=4 194 B4R0.1 CCC(O)O CNP0533578.0 [0,1,0,0,0,0|1,1,1]=4 195 B4R0.1 CCC(O)S CNP0612126.0 [0,1,0,0,0,0|1,0,2]=4 196 B4R0.1 CC[C@@H](C)O CNP0577352.1 [0,1,0,0,0,0|1,1,1]=4 197 B4R0.1 CC[C@@H](C)S CNP0572211.1 [0,1,0,0,0,0|1,0,2]=4 198 B4R0.1 CC[C@H](C)O CNP0577352.2 [0,1,0,0,0,0|1,1,1]=4 199 B4R0.1 CN(C)C=O CNP0566193.0 [0,1,0,0,0,0|0,1,2]=4 200 B4R0.1 CN(C)C=S CNP0516551.0 [0,1,0,0,0,0|0,0,2]=3 201 B4R0.1 CN(C)N=O CNP0503536.0 [0,1,0,0,0,0|1,1,1]=4 202 B4R0.1 CN(N)C=O CNP0593819.0 [0,1,0,0,0,0|0,1,2]=4 203 B4R0.1 CN(O)C=S CNP0483835.0 [0,1,0,0,0,0|0,0,2]=3 204 B4R0.1 CN=C(N)N CNP0588415.0 [0,1,0,0,0,0|1,0,1]=3 205 B4R0.1 CNC(=N)N CNP0590894.0 [0,1,0,0,0,0|1,0,2]=4 206 B4R0.1 CNC(=O)C CNP0491397.0 [0,1,0,0,0,0|0,1,2]=4 207 B4R0.1 CNC(=O)N CNP0576116.0 [0,1,0,0,0,0|0,1,2]=4 208 B4R0.1 CNC(=O)O CNP0594440.0 [0,1,0,0,0,0|0,1,2]=4 209 B4R0.1 CNC(=S)N CNP0572685.0 [0,1,0,0,0,0|0,0,2]=3 210 B4R0.1 CNC(=S)S CNP0524147.0 [0,1,0,0,0,0|0,0,2]=3 211 B4R0.1 CNC(C)C CNP0489071.0 [0,1,0,0,0,0|1,0,2]=4 212 B4R0.1 COC(=O)C CNP0578880.0 [0,1,0,0,0,0|1,1,1]=4 213 B4R0.1 COC(=O)N CNP0575874.0 [0,1,0,0,0,0|1,1,1]=4 214 B4R0.1 CSC(=N)N CNP0572889.0 [0,1,0,0,0,0|2,0,1]=4 215 B4R0.1 CSC(=O)C CNP0491622.0 [0,1,0,0,0,0|1,1,1]=4 216 B4R0.1 CSC(C)C CNP0486491.0 [0,1,0,0,0,0|2,0,1]=4 217 B4R0.1 CSC(C)S CNP0497634.0 [0,1,0,0,0,0|1,0,2]=4 218 B4R0.1 CS[S@@+](C)[O-] CNP0525842.1 [0,1,0,0,0,0|2,1,0]=4 219 B4R0.1 CS[S@@H+](C)[O-] CNP0579172.1 [0,1,0,0,0,0|2,1,0]=4 220 B4R0.1 C[C@@H](Cl)CCl CNP0573757.1 [0,1,0,0,0,0|2,0,1]=4 221 B4R0.1 C[C@@H](N)CO CNP0589695.1 [0,1,0,0,0,0|1,1,1]=4 222 B4R0.1 C[C@@H](O)C#N CNP0491457.1 [0,1,0,0,0,0|2,0,1]=4 223 B4R0.1 C[C@@H](O)C=O CNP0482941.1 [0,1,0,0,0,0|1,1,1]=4 224 B4R0.1 C[C@@H](O)CO CNP0522839.2 [0,1,0,0,0,0|1,1,1]=4 225 B4R0.1 C[C@H](N)CO CNP0589695.2 [0,1,0,0,0,0|1,1,1]=4 226 B4R0.1 C[C@H](O)C=O CNP0482941.2 [0,1,0,0,0,0|1,1,1]=4 227 B4R0.1 C[C@H](O)CBr CNP0593715.1 [0,1,0,0,0,0|2,0,1]=4 228 B4R0.1 C[C@H](O)CN CNP0571248.1 [0,1,0,0,0,0|2,0,1]=4 229 B4R0.1 C[C@H](O)CO CNP0522839.1 [0,1,0,0,0,0|1,1,1]=4 230 B4R0.1 C[C](C)C=O CNP0568847.0 [0,1,0,0,0,0|1,1,1]=4 231 B4R0.1 NN=C(N)N CNP0609058.0 [0,1,0,0,0,0|2,0,1]=4 232 B4R0.1 NNC(=S)N CNP0493193.0 [0,1,0,0,0,0|1,0,2]=4 233 B4R0.1 O=N[N+](=O)[O-] CNP0609066.0 [0,1,0,0,0,0|2,1,0]=4 234 B4R0.2 C#CC=CC CNP0541501.0 [0,1,0,0,0,0|2,0,1]=4 235 B4R0.2 C#CCCC CNP0510243.0 [0,1,0,0,0,0|2,0,1]=4 236 B4R0.2 C#CCCO CNP0577358.0 [0,1,0,0,0,0|2,0,1]=4 237 B4R0.2 C=C=C=C=O CNP0521230.0 [0,1,0,0,0,0|1,1,1]=4 238 B4R0.2 C=C=CCC CNP0484675.0 [0,1,0,0,0,0|2,0,0]=3 239 B4R0.2 C=CC=CC CNP0501543.0 [0,1,0,0,0,0|2,0,1]=4 240 B4R0.2 C=CC=NO CNP0532391.0 [0,1,0,0,0,0|2,0,1]=4 241 B4R0.2 C=CCCC CNP0529271.0 [0,1,0,0,0,0|2,0,1]=4 242 B4R0.2 C=CCCN CNP0493733.0 [0,1,0,0,0,0|2,0,1]=4 243 B4R0.2 C=CCCO CNP0599473.0 [0,1,0,0,0,0|2,0,1]=4 244 B4R0.2 C=CCSC CNP0572475.0 [0,1,0,0,0,0|2,0,1]=4 245 B4R0.2 C=CC[Se]C CNP0612039.0 [0,1,0,0,0,0|2,0,1]=4 246 B4R0.2 C=COCC CNP0567970.0 [0,1,0,0,0,0|2,0,1]=4 247 B4R0.2 C=CSCC CNP0581257.0 [0,1,0,0,0,0|2,0,1]=4 248 B4R0.2 C=NCC#N CNP0567708.0 [0,1,0,0,0,0|1,0,2]=4 249 B4R0.2 CC#CCC CNP0516358.0 [0,1,0,0,0,0|2,0,1]=4 250 B4R0.2 CC=CC#N CNP0588304.0 [0,1,0,0,0,0|2,0,1]=4 251 B4R0.2 CC=CC=O CNP0576575.0 [0,1,0,0,0,0|1,1,1]=4 252 B4R0.2 CC=CCC CNP0524560.0 [0,1,0,0,0,0|2,0,1]=4 253 B4R0.2 CC=CCO CNP0498228.0 [0,1,0,0,0,0|1,1,1]=4 254 B4R0.2 CC=CCS CNP0606069.0 [0,1,0,0,0,0|1,0,2]=4 255 B4R0.2 CC=CSC CNP0587371.0 [0,1,0,0,0,0|1,0,2]=4 256 B4R0.2 CC=CSO CNP0521494.0 [0,1,0,0,0,0|1,0,2]=4 257 B4R0.2 CCC#CO CNP0612045.0 [0,1,0,0,0,0|1,1,1]=4 258 B4R0.2 CCC=NO CNP0599998.0 [0,1,0,0,0,0|1,1,1]=4 259 B4R0.2 CCC=S=O CNP0514855.0 [0,1,0,0,0,0|1,0,2]=4 260 B4R0.2 CCCC=O CNP0518034.0 [0,1,0,0,0,0|1,1,1]=4 261 B4R0.2 CCCCC CNP0486380.0 [0,1,0,0,0,0|2,0,1]=4 262 B4R0.2 CCCCI CNP0558480.0 [0,1,0,0,0,0|2,0,1]=4 263 B4R0.2 CCCCN CNP0597509.0 [0,1,0,0,0,0|2,0,1]=4 264 B4R0.2 CCCCO CNP0505612.0 [0,1,0,0,0,0|1,1,1]=4 265 B4R0.2 CCCCS CNP0598878.0 [0,1,0,0,0,0|1,0,2]=4 266 B4R0.2 CCCNC CNP0599313.0 [0,1,0,0,0,0|1,0,2]=4 267 B4R0.2 CCCOC CNP0609062.0 [0,1,0,0,0,0|1,1,1]=4 268 B4R0.2 CCCSC CNP0481317.0 [0,1,0,0,0,0|1,0,2]=4 269 B4R0.2 CCCSO CNP0594110.0 [0,1,0,0,0,0|1,0,2]=4 270 B4R0.2 CCN=C=S CNP0601773.0 [0,1,0,0,0,0|0,0,0]=1 271 B4R0.2 CCNCC CNP0491960.0 [0,1,0,0,0,0|1,0,2]=4 272 B4R0.2 CCOC=O CNP0525155.0 [0,1,0,0,0,0|1,1,1]=4 273 B4R0.2 CCOCC CNP0572765.0 [0,1,0,0,0,0|2,0,1]=4 274 B4R0.2 CCON=O CNP0596964.0 [0,1,0,0,0,0|2,0,1]=4 275 B4R0.2 CCSC#N CNP0540962.0 [0,1,0,0,0,0|2,0,1]=4 276 B4R0.2 CCSCC CNP0518873.0 [0,1,0,0,0,0|2,0,1]=4 277 B4R0.2 CCSSC CNP0571147.0 [0,1,0,0,0,0|2,0,1]=4 278 B4R0.2 CN=CC=S CNP0547393.0 [0,1,0,0,0,0|0,0,1]=2 279 B4R0.2 CNCCN CNP0496542.0 [0,1,0,0,0,0|1,0,2]=4 280 B4R0.2 CNCCO CNP0513801.0 [0,1,0,0,0,0|0,1,2]=4 281 B4R0.2 COCCI CNP0495552.0 [0,1,0,0,0,0|2,0,1]=4 282 B4R0.2 COCCO CNP0561250.0 [0,1,0,0,0,0|1,1,1]=4 283 B4R0.2 COCC[Si] CNP0501162.0 [0,1,0,0,0,0|2,0,1]=4 284 B4R0.2 CSCC=O CNP0555203.0 [0,1,0,0,0,0|1,1,1]=4 285 B4R0.2 CSCCO CNP0574269.0 [0,1,0,0,0,0|1,1,1]=4 286 B4R0.2 CSCSC CNP0591427.0 [0,1,0,0,0,0|1,0,2]=4 287 B4R0.2 CSSSC CNP0486985.0 [0,1,0,0,0,0|2,0,1]=4 288 B4R0.2 CS[Se]SC CNP0608554.0 [0,1,0,0,0,0|2,0,1]=4 289 B4R0.2 ClC=CCCl CNP0530301.0 [0,1,0,0,0,0|2,0,1]=4 290 B4R0.2 N#CCCN CNP0502764.0 [0,1,0,0,0,0|2,0,1]=4 291 B4R0.2 NCCC=O CNP0502520.0 [0,1,0,0,0,0|1,1,1]=4 292 B4R0.2 NCCCN CNP0566837.0 [0,1,0,0,0,0|2,0,1]=4 293 B4R0.2 NCCCO CNP0538228.0 [0,1,0,0,0,0|1,1,1]=4 294 B4R0.2 NCCCS CNP0560812.0 [0,1,0,0,0,0|1,0,2]=4 295 B4R0.2 O=CCCO CNP0525339.0 [0,1,0,0,0,0|1,1,1]=4 296 B4R0.2 OCC=CCl CNP0578872.0 [0,1,0,0,0,0|2,0,1]=4 297 B4R0.2 OCCCBr CNP0506989.0 [0,1,0,0,0,0|1,1,1]=4 298 B4R0.2 OCCCO CNP0503416.0 [0,1,0,0,0,0|1,1,1]=4 299 B4R0.2 OCCCS CNP0586497.0 [0,1,0,0,0,0|1,0,2]=4 300 B4R0.2 SCCCS CNP0528691.0 [0,1,0,0,0,0|1,0,2]=4 301 B4R0.2 [C-]#[N+]CCC CNP0525086.0 [0,1,0,0,0,0|2,0,1]=4 302 B4R1.1 C1=COC1 CNP0610072.0 [0,0,0,1,0,0|1,1,1]=4 303 B4R1.1 C1CCC1 CNP0580344.0 [0,0,0,1,0,0|2,0,1]=4 304 B4R1.1 C1CSC1 CNP0598686.0 [0,0,0,1,0,0|1,0,2]=4 305 B4R1.1 N1=NOO1 CNP0564641.0 [0,0,0,1,0,0|2,1,0]=4 306 B4R1.2 CC1=CC1 CNP0610335.0 [0,0,0,1,0,0|2,0,1]=4 307 B4R1.2 CC1CC1 CNP0597751.0 [0,0,0,1,0,0|2,0,1]=4 308 B4R1.2 CC1CN1 CNP0565195.0 [0,0,0,1,0,0|1,0,2]=4 309 B4R1.2 CC1CO1 CNP0586888.0 [0,0,0,1,0,0|1,1,1]=4 310 B4R1.2 CC1CS1 CNP0482664.0 [0,0,0,1,0,0|1,0,2]=4 311 B4R1.2 C[C@H]1CS1 CNP0482664.1 [0,0,0,1,0,0|1,0,2]=4 312 B4R1.2 NC1CC1 CNP0519928.0 [0,0,0,1,0,0|2,0,1]=4 313 B1R0.1 BrBr CNP0505236.0 [2,0,0,0,0,0|2,0,0]=4 314 B1R0.1 C#C CNP0511228.0 [2,0,0,0,0,0|0,0,2]=4 315 B1R0.1 C#N CNP0572559.0 [2,0,0,0,0,0|0,0,2]=4 316 B1R0.1 C=C CNP0492509.0 [2,0,0,0,0,0|0,0,2]=4 317 B1R0.1 C=O CNP0577301.0 [2,0,0,0,0,0|0,1,1]=4 318 B1R0.1 CBr CNP0579982.0 [2,0,0,0,0,0|1,0,0]=3 319 B1R0.1 CC CNP0522070.0 [2,0,0,0,0,0|0,0,1]=3 320 B1R0.1 CCl CNP0532980.0 [2,0,0,0,0,0|1,0,0]=3 321 B1R0.1 CI CNP0504070.0 [2,0,0,0,0,0|1,0,0]=3 322 B1R0.1 CN CNP0593707.0 [2,0,0,0,0,0|0,0,1]=3 323 B1R0.1 CO CNP0534529.0 [2,0,0,0,0,0|0,1,0]=3 324 B1R0.1 CS CNP0491451.0 [2,0,0,0,0,0|0,0,1]=3 325 B1R0.1 C[Hg+] CNP0514433.0 [2,0,0,0,0,0|1,0,0]=3 326 B1R0.1 C[O] CNP0524894.0 [2,0,0,0,0,0|0,1,0]=3 327 B1R0.1 C[SeH] CNP0480708.0 [2,0,0,0,0,0|0,1,0]=3 328 B1R0.1 ClCl CNP0564417.0 [2,0,0,0,0,0|2,0,0]=4 329 B1R0.1 Cl[TlH2] CNP0576412.0 [2,0,0,0,0,0|2,0,0]=4 330 B1R0.1 II CNP0513028.0 [2,0,0,0,0,0|2,0,0]=4 331 B1R0.1 I[Hg] CNP0548877.0 [2,0,0,0,0,0|2,0,0]=4 332 B1R0.1 N#N CNP0491045.0 [2,0,0,0,0,0|1,0,1]=4 333 B1R0.1 N=O CNP0597172.0 [2,0,0,0,0,0|0,1,0]=3 334 B1R0.1 NN CNP0568901.0 [2,0,0,0,0,0|1,0,1]=4 335 B1R0.1 NO CNP0583127.0 [2,0,0,0,0,0|0,1,1]=4 336 B1R0.1 O=O CNP0554563.0 [2,0,0,0,0,0|1,1,0]=4 337 B1R0.1 O=[Ca] CNP0479999.0 [2,0,0,0,0,0|1,1,0]=4 338 B1R0.1 O=[Fe] CNP0507758.0 [2,0,0,0,0,0|1,1,0]=4 339 B1R0.1 O=[Mg] CNP0534533.0 [2,0,0,0,0,0|1,1,0]=4 340 B1R0.1 O=[Zn] CNP0524985.0 [2,0,0,0,0,0|1,1,0]=4 341 B1R0.1 OCl CNP0592985.0 [2,0,0,0,0,0|1,1,0]=4 342 B1R0.1 OO CNP0525256.0 [2,0,0,0,0,0|1,1,0]=4 343 B1R0.1 O[SiH3] CNP0519560.0 [2,0,0,0,0,0|0,2,0]=4 344 B1R0.1 PP CNP0509731.0 [2,0,0,0,0,0|1,1,0]=4 345 B1R0.1 S=S CNP0549656.0 [2,0,0,0,0,0|1,0,0]=3 346 B1R0.1 S=[AsH] CNP0538289.0 [2,0,0,0,0,0|0,1,0]=3 347 B1R0.1 S=[Cd] CNP0560564.0 [2,0,0,0,0,0|1,0,0]=3 348 B1R0.1 S=[Hg] CNP0507503.0 [2,0,0,0,0,0|1,0,0]=3 349 B1R0.1 SS CNP0553258.0 [2,0,0,0,0,0|1,0,1]=4 350 B1R0.1 S[AsH2] CNP0561326.0 [2,0,0,0,0,0|0,1,1]=4 351 B1R0.1 S[As] CNP0546534.0 [2,0,0,0,0,0|0,1,1]=4 352 B1R0.1 [13CH]#[15N] CNP0538679.0 [2,0,0,0,0,0|0,0,2]=4 353 B1R0.1 [C-]#[O+] CNP0572564.0 [2,0,0,0,0,0|0,1,1]=4 354 B1R0.1 [Cu]I CNP0592352.0 [2,0,0,0,0,0|2,0,0]=4 355 B1R0.1 [K]Br CNP0506686.0 [2,0,0,0,0,0|2,0,0]=4 356 B1R0.1 [NH3+][O-] CNP0579672.0 [2,0,0,0,0,0|0,1,1]=4 357 B1R0.1 [N]=O CNP0547371.0 [2,0,0,0,0,0|0,1,1]=4 358 B1R0.1 [O]O CNP0532421.0 [2,0,0,0,0,0|1,1,0]=4 359 B1R0.1 [Se]=[Se] CNP0539243.0 [2,0,0,0,0,0|1,1,0]=4 360 B3R0.2 C=C(C)C CNP0512482.0 [1,1,0,0,0,0|1,0,1]=4 361 B3R0.2 C=C(C)O CNP0514997.0 [1,1,0,0,0,0|0,1,1]=4 362 B3R0.2 CC(=N)S CNP0537692.0 [1,1,0,0,0,0|0,0,2]=4 363 B3R0.2 CC(=O)C CNP0572494.0 [1,1,0,0,0,0|0,1,1]=4 364 B3R0.2 CC(=O)Cl CNP0537278.0 [1,1,0,0,0,0|0,1,1]=4 365 B3R0.2 CC(=O)N CNP0570171.0 [1,1,0,0,0,0|0,1,1]=4 366 B3R0.2 CC(=O)O CNP0495539.0 [1,1,0,0,0,0|0,1,1]=4 367 B3R0.2 CC(=O)[O-] CNP0505268.0 [1,1,0,0,0,0|0,1,1]=4 368 B3R0.2 CC(=S)N CNP0579768.0 [1,1,0,0,0,0|0,0,1]=3 369 B3R0.2 CC(C)C CNP0580677.0 [1,1,0,0,0,0|1,0,1]=4 370 B3R0.2 CC(C)I CNP0515098.0 [1,1,0,0,0,0|1,0,1]=4 371 B3R0.2 CC(C)N CNP0574231.0 [1,1,0,0,0,0|1,0,1]=4 372 B3R0.2 CC(C)O CNP0603430.0 [1,1,0,0,0,0|0,1,1]=4 373 B3R0.2 CC(C)S CNP0483016.0 [1,1,0,0,0,0|0,0,2]=4 374 B3R0.2 CN(C)C CNP0522907.0 [1,1,0,0,0,0|0,0,2]=4 375 B3R0.2 CN(C)N CNP0573264.0 [1,1,0,0,0,0|0,0,2]=4 376 B3R0.2 CP(=O)O CNP0480086.0 [1,1,0,0,0,0|0,2,0]=4 377 B3R0.2 CP(C)C CNP0586622.0 [1,1,0,0,0,0|0,1,1]=4 378 B3R0.2 CS(=S)O CNP0609306.0 [1,1,0,0,0,0|1,0,0]=3 379 B3R0.2 C[As](C)C CNP0539997.0 [1,1,0,0,0,0|0,1,1]=4 380 B3R0.2 C[As](C)O CNP0541907.0 [1,1,0,0,0,0|0,1,1]=4 381 B3R0.2 C[As](O)O CNP0579708.0 [1,1,0,0,0,0|0,2,0]=4 382 B3R0.2 C[N+](=N)[O-] CNP0532542.0 [1,1,0,0,0,0|0,1,1]=4 383 B3R0.2 C[S+](C)C CNP0555694.0 [1,1,0,0,0,0|1,0,1]=4 384 B3R0.2 C[S+](C)[O-] CNP0499675.0 [1,1,0,0,0,0|1,0,1]=4 385 B3R0.2 C[Se+](C)C CNP0504179.0 [1,1,0,0,0,0|1,0,1]=4 386 B3R0.2 C[SeH2](=[Se])C CNP0610734.0 [1,1,0,0,0,0|1,0,1]=4 387 B3R0.2 C[SeH](C)[SeH] CNP0608908.0 [1,1,0,0,0,0|1,0,1]=4 388 B3R0.2 C[Se](=O)O CNP0501647.0 [1,1,0,0,0,0|1,1,0]=4 389 B3R0.2 N=C(N)N CNP0564001.0 [1,1,0,0,0,0|1,0,1]=4 390 B3R0.2 N=C(N)S CNP0589508.0 [1,1,0,0,0,0|0,0,2]=4 391 B3R0.2 N=C(S)S CNP0522891.0 [1,1,0,0,0,0|0,0,2]=4 392 B3R0.2 NC(=S)N CNP0599742.0 [1,1,0,0,0,0|0,0,2]=4 393 B3R0.2 NC(=S)S CNP0574797.0 [1,1,0,0,0,0|0,0,2]=4 394 B3R0.2 [CH2]C(C)C CNP0571096.0 [1,1,0,0,0,0|1,0,1]=4 395 B5R0.1 CC(C)N=C=O CNP0495487.0 [0,2,0,0,0,0|0,1,0]=3 396 B5R0.1 CC(C)N=C=S CNP0332549.0 [0,2,0,0,0,0|0,0,0]=2 397 B5R0.1 CC=CC(=S)N CNP0219494.0 [0,2,0,0,0,0|1,0,1]=4 398 B5R0.1 CC=CS(=S)O CNP0498878.0 [0,2,0,0,0,0|1,0,1]=4 399 B5R0.1 CCCS(=S)O CNP0558357.0 [0,2,0,0,0,0|1,0,1]=4 400 B5R0.1 CCNC(=S)N CNP0415621.0 [0,2,0,0,0,0|0,0,2]=4 401 B5R0.1 CN=CC(C)C CNP0149349.0 [0,2,0,0,0,0|1,0,1]=4 402 B5R0.1 C[N+](=NCO)[O-] CNP0075707.0 [0,2,0,0,0,0|0,1,1]=4 403 B5R0.5 CN(C)C(=S)S CNP0033815.0 [0,2,0,0,0,0|0,0,2]=4 404 B5R0.2 C=C=CCC=O CNP0509236.0 [0,2,0,0,0,0|2,0,0]=4 405 B5R0.2 C=CCN=C=S CNP0329428.0 [0,2,0,0,0,0|0,0,0]=2 406 B5R0.2 C=CCN=[N+]=[N-] CNP0564364.0 [0,2,0,0,0,0|2,0,0]=4 407 B5R0.2 C=CC[N+]=C=S CNP0590911.0 [0,2,0,0,0,0|0,0,0]=2 408 B5R0.2 CC=C=CCO CNP0426440.0 [0,2,0,0,0,0|1,1,0]=4 409 B5R0.2 CC=C=COC CNP0519318.0 [0,2,0,0,0,0|1,1,0]=4 410 B5R0.2 CCC=NNC CNP0543863.0 [0,2,0,0,0,0|1,0,1]=4 411 B5R0.2 CCCN=C=S CNP0077279.0 [0,2,0,0,0,0|0,0,0]=2 412 B3R1.1 C1CC1 CNP0541531.0 [1,0,0,1,0,0|1,0,1]=4 413 B3R1.1 C1CN1 CNP0581365.0 [1,0,0,1,0,0|0,0,2]=4 414 B3R1.1 C1CO1 CNP0573142.0 [1,0,0,1,0,0|0,1,1]=4 415 B5R1.1 C1=NCCC1 CNP0581055.0 [0,1,0,1,0,0|1,0,1]=4