0 B3R0.2 BrC(Br)Br CNP0524050.0 [0,0,0,0,0,0|3,0,1]=4 1 B3R0.2 BrC(Br)I CNP0520248.0 [0,0,0,0,0,0|3,0,1]=4 2 B3R0.2 BrC(I)I CNP0514657.0 [0,0,0,0,0,0|3,0,1]=4 3 B3R0.2 C=C(C)C CNP0512482.0 [0,0,0,0,0,0|3,0,0]=3 4 B3R0.2 C=C(C)O CNP0514997.0 [0,0,0,0,0,0|2,0,0]=2 5 B3R0.2 C=C(Cl)Cl CNP0573882.0 [0,0,0,0,0,0|3,0,0]=3 6 B3R0.2 CC(=N)S CNP0537692.0 [0,0,0,0,0,0|2,1,0]=3 7 B3R0.2 CC(=O)C CNP0572494.0 [0,0,0,0,0,0|2,0,0]=2 8 B3R0.2 CC(=O)Cl CNP0537278.0 [0,0,0,0,0,0|2,0,0]=2 9 B3R0.2 CC(=O)N CNP0570171.0 [0,0,0,0,0,0|2,0,0]=2 10 B3R0.2 CC(=O)O CNP0495539.0 [0,0,0,0,0,0|1,0,0]=1 11 B3R0.2 CC(=O)[O-] CNP0505268.0 [0,0,0,0,0,0|1,0,1]=2 12 B3R0.2 CC(=S)N CNP0579768.0 [0,0,0,0,0,0|2,1,0]=3 13 B3R0.2 CC(C)C CNP0580677.0 [0,0,0,0,0,0|3,0,1]=4 14 B3R0.2 CC(C)I CNP0515098.0 [0,0,0,0,0,0|3,0,1]=4 15 B3R0.2 CC(C)N CNP0574231.0 [0,0,0,0,0,0|3,0,1]=4 16 B3R0.2 CC(C)O CNP0603430.0 [0,0,0,0,0,0|2,0,1]=3 17 B3R0.2 CC(C)S CNP0483016.0 [0,0,0,0,0,0|2,1,1]=4 18 B3R0.2 CN(C)C CNP0522907.0 [0,0,0,0,0,0|4,0,0]=4 19 B3R0.2 CN(C)N CNP0573264.0 [0,0,0,0,0,0|4,0,0]=4 20 B3R0.2 CP(=O)O CNP0480086.0 [0,0,0,0,0,0|2,0,0]=2 21 B3R0.2 CP(C)C CNP0586622.0 [0,0,0,0,0,0|4,0,0]=4 22 B3R0.2 CS(=S)O CNP0609306.0 [0,0,0,0,0,0|2,1,0]=3 23 B3R0.2 C[As](C)C CNP0539997.0 [0,0,0,0,0,0|4,0,0]=4 24 B3R0.2 C[As](C)O CNP0541907.0 [0,0,0,0,0,0|3,0,0]=3 25 B3R0.2 C[As](O)O CNP0579708.0 [0,0,0,0,0,0|2,0,0]=2 26 B3R0.2 C[N+](=N)[O-] CNP0532542.0 [0,0,0,0,0,0|3,0,1]=4 27 B3R0.2 C[S+](C)C CNP0555694.0 [0,0,0,0,0,0|4,0,0]=4 28 B3R0.2 C[S+](C)[O-] CNP0499675.0 [0,0,0,0,0,0|3,0,1]=4 29 B3R0.2 C[Se+](C)C CNP0504179.0 [0,0,0,0,0,0|4,0,0]=4 30 B3R0.2 C[SeH2](=[Se])C CNP0610734.0 [0,0,0,0,0,0|3,1,0]=4 31 B3R0.2 C[SeH](C)[SeH] CNP0608908.0 [0,0,0,0,0,0|3,1,0]=4 32 B3R0.2 C[Se](=O)O CNP0501647.0 [0,0,0,0,0,0|2,0,0]=2 33 B3R0.2 ClC(Br)Br CNP0573891.0 [0,0,0,0,0,0|3,0,1]=4 34 B3R0.2 ClC(Cl)Br CNP0524174.0 [0,0,0,0,0,0|3,0,1]=4 35 B3R0.2 ClC(Cl)Cl CNP0479643.0 [0,0,0,0,0,0|3,0,1]=4 36 B3R0.2 ClN(Cl)Cl CNP0555840.0 [0,0,0,0,0,0|4,0,0]=4 37 B3R0.2 Cl[111In](Cl)Cl CNP0525709.0 [0,0,0,0,0,0|4,0,0]=4 38 B3R0.2 Cl[Al](Cl)Cl CNP0559880.0 [0,0,0,0,0,0|4,0,0]=4 39 B3R0.2 Cl[C@@H](Br)I CNP0538147.2 [0,0,0,0,0,0|3,0,1]=4 40 B3R0.2 Cl[C@H](Br)I CNP0538147.1 [0,0,0,0,0,0|3,0,1]=4 41 B3R0.2 Cl[Sb](Cl)Cl CNP0508944.0 [0,0,0,0,0,0|4,0,0]=4 42 B3R0.2 IC(I)I CNP0599207.0 [0,0,0,0,0,0|3,0,1]=4 43 B3R0.2 N=C(N)N CNP0564001.0 [0,0,0,0,0,0|3,0,0]=3 44 B3R0.2 N=C(N)S CNP0589508.0 [0,0,0,0,0,0|2,1,0]=3 45 B3R0.2 N=C(S)S CNP0522891.0 [0,0,0,0,0,0|1,2,0]=3 46 B3R0.2 NC(=O)N CNP0520286.0 [0,0,0,0,0,0|2,0,0]=2 47 B3R0.2 NC(=O)O CNP0575336.0 [0,0,0,0,0,0|1,0,0]=1 48 B3R0.2 NC(=S)N CNP0599742.0 [0,0,0,0,0,0|2,1,0]=3 49 B3R0.2 NC(=S)S CNP0574797.0 [0,0,0,0,0,0|1,2,0]=3 50 B3R0.2 N[14C](=O)N CNP0600423.0 [0,0,0,0,0,0|2,0,0]=2 51 B3R0.2 O=C(O)O CNP0491655.0 [0,0,0,0,0,0|0,0,0]=0 52 B3R0.2 O=C(O)P CNP0562466.0 [0,0,0,0,0,0|1,0,0]=1 53 B3R0.2 O=P(O)O CNP0517495.0 [0,0,0,0,0,0|1,0,0]=1 54 B3R0.2 O=S(=O)O CNP0578309.0 [0,0,0,0,0,0|1,0,1]=2 55 B3R0.2 O=S(O)O CNP0520227.0 [0,0,0,0,0,0|1,0,0]=1 56 B3R0.2 O=[Mo+6](O)O CNP0512146.0 [0,0,0,0,0,0|1,0,0]=1 57 B3R0.2 O=[Mo](=O)S CNP0576700.0 [0,0,0,0,0,0|1,1,1]=3 58 B3R0.2 O=[N+]([O-])O CNP0534371.0 [0,0,0,0,0,0|1,0,1]=2 59 B3R0.2 O=[Se](O)O CNP0605088.0 [0,0,0,0,0,0|1,0,0]=1 60 B3R0.2 O=[Si](O)O CNP0567325.0 [0,0,0,0,0,0|0,1,0]=1 61 B3R0.2 OB(O)O CNP0568939.0 [0,0,0,0,0,0|1,0,1]=2 62 B3R0.2 OC(O)O CNP0594478.0 [0,0,0,0,0,0|0,0,2]=2 63 B3R0.2 O[As](O)O CNP0559543.0 [0,0,0,0,0,0|1,0,1]=2 64 B3R0.2 O[Sb](O)O CNP0536687.0 [0,0,0,0,0,0|1,0,1]=2 65 B3R0.2 O[Zn-](O)O CNP0493920.0 [0,0,0,0,0,0|1,0,1]=2 66 B3R0.2 [CH2]C(C)C CNP0571096.0 [0,0,0,0,0,0|3,0,1]=4 67 B3R0.2 [O-][Br+2]([O-])O CNP0595435.0 [0,0,0,0,0,0|1,0,2]=3 68 B3R0.2 [O-][Cl+2]([O-])O CNP0497451.0 [0,0,0,0,0,0|1,0,2]=3 69 B3R0.2 [O-][I+2]([O-])O CNP0595098.0 [0,0,0,0,0,0|1,0,2]=3 70 B2R0.1 BrCBr CNP0494232.0 [1,0,0,0,0,0|2,0,1]=4 71 B2R0.1 BrCI CNP0594254.0 [1,0,0,0,0,0|2,0,1]=4 72 B2R0.1 C=CBr CNP0609063.0 [1,0,0,0,0,0|2,0,0]=3 73 B2R0.1 C=CC CNP0522895.0 [1,0,0,0,0,0|2,0,0]=3 74 B2R0.1 C=CO CNP0606787.0 [1,0,0,0,0,0|1,0,0]=2 75 B2R0.1 C=C[O] CNP0584213.0 [1,0,0,0,0,0|1,0,1]=3 76 B2R0.1 C=NO CNP0573273.0 [1,0,0,0,0,0|2,0,0]=3 77 B2R0.1 C=[N+]=[N-] CNP0484380.0 [1,0,0,0,0,0|3,0,0]=4 78 B2R0.1 CC#N CNP0510997.0 [1,0,0,0,0,0|2,0,1]=4 79 B2R0.1 CC=O CNP0566693.0 [1,0,0,0,0,0|1,0,0]=2 80 B2R0.1 CCBr CNP0511569.0 [1,0,0,0,0,0|2,0,1]=4 81 B2R0.1 CCC CNP0529348.0 [1,0,0,0,0,0|2,0,1]=4 82 B2R0.1 CCCl CNP0605324.0 [1,0,0,0,0,0|2,0,1]=4 83 B2R0.1 CCI CNP0562236.0 [1,0,0,0,0,0|2,0,1]=4 84 B2R0.1 CCN CNP0561286.0 [1,0,0,0,0,0|2,0,1]=4 85 B2R0.1 CCO CNP0546367.0 [1,0,0,0,0,0|1,0,1]=3 86 B2R0.1 CCS CNP0491795.0 [1,0,0,0,0,0|1,1,1]=4 87 B2R0.1 CN=N CNP0513298.0 [1,0,0,0,0,0|3,0,0]=4 88 B2R0.1 CNC CNP0491602.0 [1,0,0,0,0,0|3,0,0]=4 89 B2R0.1 CNN CNP0609070.0 [1,0,0,0,0,0|3,0,0]=4 90 B2R0.1 COC CNP0580850.0 [1,0,0,0,0,0|3,0,0]=4 91 B2R0.1 CON CNP0566773.0 [1,0,0,0,0,0|3,0,0]=4 92 B2R0.1 CPC CNP0528872.0 [1,0,0,0,0,0|3,0,0]=4 93 B2R0.1 CSC CNP0569922.0 [1,0,0,0,0,0|3,0,0]=4 94 B2R0.1 CSS CNP0611991.0 [1,0,0,0,0,0|2,1,0]=4 95 B2R0.1 C[C]=O CNP0538355.0 [1,0,0,0,0,0|1,0,1]=3 96 B2R0.1 C[C]O CNP0601692.0 [1,0,0,0,0,0|1,0,1]=3 97 B2R0.1 C[Se]C CNP0500399.0 [1,0,0,0,0,0|3,0,0]=4 98 B2R0.1 C[Te]C CNP0483858.0 [1,0,0,0,0,0|3,0,0]=4 99 B2R0.1 ClCBr CNP0528283.0 [1,0,0,0,0,0|2,0,1]=4 100 B2R0.1 ClCCl CNP0529345.0 [1,0,0,0,0,0|2,0,1]=4 101 B2R0.1 ClCI CNP0600514.0 [1,0,0,0,0,0|2,0,1]=4 102 B2R0.1 Cl[223Ra]Cl CNP0546854.0 [1,0,0,0,0,0|3,0,0]=4 103 B2R0.1 Cl[Cu]Cl CNP0563720.0 [1,0,0,0,0,0|3,0,0]=4 104 B2R0.1 Cl[Hg]Cl CNP0530716.0 [1,0,0,0,0,0|3,0,0]=4 105 B2R0.1 ICI CNP0526769.0 [1,0,0,0,0,0|2,0,1]=4 106 B2R0.1 I[Hg]I CNP0491780.0 [1,0,0,0,0,0|3,0,0]=4 107 B2R0.1 N#CN CNP0538292.0 [1,0,0,0,0,0|2,0,1]=4 108 B2R0.1 N#CO CNP0521200.0 [1,0,0,0,0,0|1,0,1]=3 109 B2R0.1 N#CS CNP0590020.0 [1,0,0,0,0,0|1,1,1]=4 110 B2R0.1 N#[N+][O-] CNP0537011.0 [1,0,0,0,0,0|2,0,1]=4 111 B2R0.1 N=C=O CNP0504564.0 [1,0,0,0,0,0|1,0,1]=3 112 B2R0.1 N=C=S CNP0609053.0 [1,0,0,0,0,0|1,1,1]=4 113 B2R0.1 NC=O CNP0569834.0 [1,0,0,0,0,0|1,0,0]=2 114 B2R0.1 NN=O CNP0610110.0 [1,0,0,0,0,0|2,0,0]=3 115 B2R0.1 O=BO CNP0512281.0 [1,0,0,0,0,0|1,0,0]=2 116 B2R0.1 O=C=O CNP0566212.0 [1,0,0,0,0,0|0,0,2]=3 117 B2R0.1 O=C=S CNP0558182.0 [1,0,0,0,0,0|0,1,1]=3 118 B2R0.1 O=CO CNP0494819.0 [1,0,0,0,0,0|0,0,0]=1 119 B2R0.1 O=NCl CNP0485266.0 [1,0,0,0,0,0|2,0,0]=3 120 B2R0.1 O=NO CNP0506888.0 [1,0,0,0,0,0|1,0,0]=2 121 B2R0.1 O=PO CNP0574430.0 [1,0,0,0,0,0|1,0,0]=2 122 B2R0.1 O=S=O CNP0483725.0 [1,0,0,0,0,0|1,0,1]=3 123 B2R0.1 O=[Mn]=O CNP0493383.0 [1,0,0,0,0,0|1,0,1]=3 124 B2R0.1 O=[Mn]=O CNP0609067.0 [1,0,0,0,0,0|1,0,1]=3 125 B2R0.1 O=[O+][O-] CNP0518683.0 [1,0,0,0,0,0|1,0,1]=3 126 B2R0.1 O=[Se]=O CNP0593099.0 [1,0,0,0,0,0|1,0,1]=3 127 B2R0.1 O=[Si]=O CNP0514392.0 [1,0,0,0,0,0|0,1,1]=3 128 B2R0.1 O=[Te]=O CNP0564386.0 [1,0,0,0,0,0|1,0,1]=3 129 B2R0.1 O=[Ti]=O CNP0587503.0 [1,0,0,0,0,0|1,0,1]=3 130 B2R0.1 OCO CNP0551435.0 [1,0,0,0,0,0|0,0,1]=2 131 B2R0.1 OOO CNP0557106.0 [1,0,0,0,0,0|1,0,0]=2 132 B2R0.1 OPO CNP0602064.0 [1,0,0,0,0,0|1,0,0]=2 133 B2R0.1 S=C=S CNP0482880.0 [1,0,0,0,0,0|0,2,1]=4 134 B2R0.1 S=S=S CNP0503807.0 [1,0,0,0,0,0|1,2,0]=4 135 B2R0.1 S=[Se]=S CNP0553318.0 [1,0,0,0,0,0|1,2,0]=4 136 B2R0.1 SCS CNP0488241.0 [1,0,0,0,0,0|0,2,1]=4 137 B2R0.1 [C-]#[N+]C CNP0561919.0 [1,0,0,0,0,0|3,0,0]=4 138 B2R0.1 [CH-]=CC CNP0546792.0 [1,0,0,0,0,0|2,0,0]=3 139 B2R0.1 [CH2]CC CNP0535049.0 [1,0,0,0,0,0|2,0,1]=4 140 B2R0.1 [N-]=[N+]=N CNP0499493.0 [1,0,0,0,0,0|3,0,0]=4 141 B2R0.1 [O-][Cl+]O CNP0497237.0 [1,0,0,0,0,0|1,0,1]=3 142 B4R0.1 C#CC(=C)C CNP0599820.0 [0,1,0,0,0,0|3,0,0]=4 143 B4R0.1 C#CC(=O)N CNP0485881.0 [0,1,0,0,0,0|2,0,0]=3 144 B4R0.1 C#CC(=O)O CNP0579203.0 [0,1,0,0,0,0|1,0,0]=2 145 B4R0.1 C=C(Br)CO CNP0506207.0 [0,1,0,0,0,0|2,0,0]=3 146 B4R0.1 C=C(C)C#N CNP0560504.0 [0,1,0,0,0,0|3,0,0]=4 147 B4R0.1 C=C(C)C=O CNP0479149.0 [0,1,0,0,0,0|2,0,0]=3 148 B4R0.1 C=C(C)CC CNP0605035.0 [0,1,0,0,0,0|3,0,0]=4 149 B4R0.1 C=C(C)CO CNP0505353.0 [0,1,0,0,0,0|2,0,0]=3 150 B4R0.1 C=C(Cl)C#N CNP0518154.0 [0,1,0,0,0,0|3,0,0]=4 151 B4R0.1 C=C(N)C#N CNP0550766.0 [0,1,0,0,0,0|3,0,0]=4 152 B4R0.1 C=C(O)C=O CNP0542377.0 [0,1,0,0,0,0|1,0,0]=2 153 B4R0.1 C=CC(=C)C CNP0489519.0 [0,1,0,0,0,0|3,0,0]=4 154 B4R0.1 C=CC(=N)N CNP0498731.0 [0,1,0,0,0,0|3,0,0]=4 155 B4R0.1 C=CC(=O)C CNP0571315.0 [0,1,0,0,0,0|2,0,0]=3 156 B4R0.1 C=CC(=O)Cl CNP0569586.0 [0,1,0,0,0,0|2,0,0]=3 157 B4R0.1 C=CC(=O)N CNP0574606.0 [0,1,0,0,0,0|2,0,0]=3 158 B4R0.1 C=CC(=O)O CNP0590547.0 [0,1,0,0,0,0|1,0,0]=2 159 B4R0.1 C=CC(=O)[O-] CNP0528918.0 [0,1,0,0,0,0|1,0,1]=3 160 B4R0.1 C=C[C@@H](C)O CNP0512445.2 [0,1,0,0,0,0|2,0,1]=4 161 B4R0.1 C=C[C@H](C)O CNP0512445.1 [0,1,0,0,0,0|2,0,1]=4 162 B4R0.1 CC(=NO)C CNP0591673.0 [0,1,0,0,0,0|2,0,0]=3 163 B4R0.1 CC(=O)C#N CNP0551952.0 [0,1,0,0,0,0|2,0,0]=3 164 B4R0.1 CC(=O)C=O CNP0574322.0 [0,1,0,0,0,0|1,0,1]=3 165 B4R0.1 CC(=O)CBr CNP0602861.0 [0,1,0,0,0,0|2,0,0]=3 166 B4R0.1 CC(=O)CI CNP0515381.0 [0,1,0,0,0,0|2,0,0]=3 167 B4R0.1 CC(=O)CN CNP0602829.0 [0,1,0,0,0,0|2,0,0]=3 168 B4R0.1 CC(=O)CO CNP0487266.0 [0,1,0,0,0,0|1,0,0]=2 169 B4R0.1 CC(=O)CS CNP0514893.0 [0,1,0,0,0,0|1,1,0]=3 170 B4R0.1 CC(=O)N=N CNP0591627.0 [0,1,0,0,0,0|2,0,0]=3 171 B4R0.1 CC(=O)NN CNP0503904.0 [0,1,0,0,0,0|2,0,0]=3 172 B4R0.1 CC(=O)NO CNP0518042.0 [0,1,0,0,0,0|1,0,0]=2 173 B4R0.1 CC(=O)OO CNP0491052.0 [0,1,0,0,0,0|1,0,0]=2 174 B4R0.1 CC(=O)O[Hg+] CNP0504265.0 [0,1,0,0,0,0|1,0,0]=2 175 B4R0.1 CC(C)C=O CNP0511471.0 [0,1,0,0,0,0|2,0,1]=4 176 B4R0.1 CC(C)C=[17O] CNP0484940.0 [0,1,0,0,0,0|2,0,1]=4 177 B4R0.1 CC(C)CO CNP0493868.0 [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|2,0,1]=4 179 B4R0.1 CC=C(C)C CNP0502707.0 [0,1,0,0,0,0|3,0,0]=4 180 B4R0.1 CCC(=N)S CNP0544659.0 [0,1,0,0,0,0|2,1,0]=4 181 B4R0.1 CCC(=O)Br CNP0583620.0 [0,1,0,0,0,0|2,0,0]=3 182 B4R0.1 CCC(=O)C CNP0486447.0 [0,1,0,0,0,0|2,0,0]=3 183 B4R0.1 CCC(=O)Cl CNP0502198.0 [0,1,0,0,0,0|2,0,0]=3 184 B4R0.1 CCC(=O)I CNP0549008.0 [0,1,0,0,0,0|2,0,0]=3 185 B4R0.1 CCC(=O)N CNP0512752.0 [0,1,0,0,0,0|2,0,0]=3 186 B4R0.1 CCC(=O)O CNP0572679.0 [0,1,0,0,0,0|1,0,0]=2 187 B4R0.1 CCC(=O)[O-] CNP0505645.0 [0,1,0,0,0,0|1,0,1]=3 188 B4R0.1 CCC(=O)[O-] CNP0584211.0 [0,1,0,0,0,0|1,0,1]=3 189 B4R0.1 CCC(=O)[O-] CNP0604604.0 [0,1,0,0,0,0|1,0,1]=3 190 B4R0.1 CCC(O)O CNP0533578.0 [0,1,0,0,0,0|1,0,1]=3 191 B4R0.1 CCC(O)S CNP0612126.0 [0,1,0,0,0,0|1,1,1]=4 192 B4R0.1 CC[C@@H](C)O CNP0577352.1 [0,1,0,0,0,0|2,0,1]=4 193 B4R0.1 CC[C@H](C)O CNP0577352.2 [0,1,0,0,0,0|2,0,1]=4 194 B4R0.1 CN(C)C=O CNP0566193.0 [0,1,0,0,0,0|3,0,0]=4 195 B4R0.1 CN(C)N=O CNP0503536.0 [0,1,0,0,0,0|3,0,0]=4 196 B4R0.1 CN(N)C=O CNP0593819.0 [0,1,0,0,0,0|3,0,0]=4 197 B4R0.1 CN(O)C=S CNP0483835.0 [0,1,0,0,0,0|2,1,0]=4 198 B4R0.1 CN=C(N)N CNP0588415.0 [0,1,0,0,0,0|3,0,0]=4 199 B4R0.1 CNC(=N)N CNP0590894.0 [0,1,0,0,0,0|3,0,0]=4 200 B4R0.1 CNC(=O)C CNP0491397.0 [0,1,0,0,0,0|2,0,0]=3 201 B4R0.1 CNC(=O)N CNP0576116.0 [0,1,0,0,0,0|2,0,0]=3 202 B4R0.1 CNC(=O)O CNP0594440.0 [0,1,0,0,0,0|1,0,0]=2 203 B4R0.1 CNC(=S)N CNP0572685.0 [0,1,0,0,0,0|2,1,0]=4 204 B4R0.1 CNC(=S)S CNP0524147.0 [0,1,0,0,0,0|1,2,0]=4 205 B4R0.1 COC(=O)C CNP0578880.0 [0,1,0,0,0,0|1,0,0]=2 206 B4R0.1 COC(=O)N CNP0575874.0 [0,1,0,0,0,0|1,0,0]=2 207 B4R0.1 CSC(=N)N CNP0572889.0 [0,1,0,0,0,0|2,1,0]=4 208 B4R0.1 CSC(=O)C CNP0491622.0 [0,1,0,0,0,0|1,1,0]=3 209 B4R0.1 C[C@@H](N)CO CNP0589695.1 [0,1,0,0,0,0|2,0,1]=4 210 B4R0.1 C[C@@H](O)C#N CNP0491457.1 [0,1,0,0,0,0|2,0,1]=4 211 B4R0.1 C[C@@H](O)C=O CNP0482941.1 [0,1,0,0,0,0|1,0,1]=3 212 B4R0.1 C[C@@H](O)CO CNP0522839.2 [0,1,0,0,0,0|1,0,1]=3 213 B4R0.1 C[C@H](N)CO CNP0589695.2 [0,1,0,0,0,0|2,0,1]=4 214 B4R0.1 C[C@H](O)C=O CNP0482941.2 [0,1,0,0,0,0|1,0,1]=3 215 B4R0.1 C[C@H](O)CBr CNP0593715.1 [0,1,0,0,0,0|2,0,1]=4 216 B4R0.1 C[C@H](O)CN CNP0571248.1 [0,1,0,0,0,0|2,0,1]=4 217 B4R0.1 C[C@H](O)CO CNP0522839.1 [0,1,0,0,0,0|1,0,1]=3 218 B4R0.1 C[C](C)C=O CNP0568847.0 [0,1,0,0,0,0|2,0,1]=4 219 B4R0.1 ClC=C(Cl)Cl CNP0539983.0 [0,1,0,0,0,0|3,0,0]=4 220 B4R0.1 N#C[S](O)O CNP0503923.0 [0,1,0,0,0,0|2,0,0]=3 221 B4R0.1 N=C(N)NN CNP0538712.0 [0,1,0,0,0,0|3,0,0]=4 222 B4R0.1 N=C(N)NO CNP0496900.0 [0,1,0,0,0,0|2,0,0]=3 223 B4R0.1 N=CC(=O)O CNP0521453.0 [0,1,0,0,0,0|1,0,0]=2 224 B4R0.1 NC(=O)CCl CNP0572781.0 [0,1,0,0,0,0|2,0,0]=3 225 B4R0.1 NC(=O)CI CNP0573172.0 [0,1,0,0,0,0|2,0,0]=3 226 B4R0.1 NC(=O)CO CNP0610142.0 [0,1,0,0,0,0|1,0,0]=2 227 B4R0.1 NC(=O)NO CNP0593192.0 [0,1,0,0,0,0|1,0,0]=2 228 B4R0.1 NCC(=O)N CNP0542212.0 [0,1,0,0,0,0|2,0,0]=3 229 B4R0.1 NCC(=O)O CNP0563879.0 [0,1,0,0,0,0|1,0,0]=2 230 B4R0.1 NCC(=O)[O] CNP0605168.0 [0,1,0,0,0,0|1,0,1]=3 231 B4R0.1 NN=C(N)N CNP0609058.0 [0,1,0,0,0,0|3,0,0]=4 232 B4R0.1 NNC(=S)N CNP0493193.0 [0,1,0,0,0,0|2,1,0]=4 233 B4R0.1 O=C(Cl)CCl CNP0491057.0 [0,1,0,0,0,0|2,0,0]=3 234 B4R0.1 O=C(Cl)CI CNP0533753.0 [0,1,0,0,0,0|2,0,0]=3 235 B4R0.1 O=C(Cl)SCl CNP0604698.0 [0,1,0,0,0,0|1,1,0]=3 236 B4R0.1 O=C(O)CBr CNP0605480.0 [0,1,0,0,0,0|1,0,0]=2 237 B4R0.1 O=C(O)CCl CNP0514898.0 [0,1,0,0,0,0|1,0,0]=2 238 B4R0.1 O=C(O)CI CNP0542117.0 [0,1,0,0,0,0|1,0,0]=2 239 B4R0.1 O=C(O)CO CNP0564020.0 [0,1,0,0,0,0|0,0,0]=1 240 B4R0.1 O=C(O)CS CNP0502399.0 [0,1,0,0,0,0|0,1,0]=2 241 B4R0.1 O=CC(=O)O CNP0571230.0 [0,1,0,0,0,0|0,0,1]=2 242 B4R0.1 O=CC(Br)Br CNP0551465.0 [0,1,0,0,0,0|2,0,1]=4 243 B4R0.1 O=CC(Cl)Cl CNP0500598.0 [0,1,0,0,0,0|2,0,1]=4 244 B4R0.1 O=N[N+](=O)[O-] CNP0609066.0 [0,1,0,0,0,0|1,0,2]=4 245 B4R0.1 O=[N+]([O-])O[Ag] CNP0571678.0 [0,1,0,0,0,0|1,0,1]=3 246 B4R0.1 OCC(Cl)Cl CNP0479097.0 [0,1,0,0,0,0|2,0,1]=4 247 B4R0.1 O[C@@H](Cl)CBr CNP0538567.1 [0,1,0,0,0,0|2,0,1]=4 248 B4R0.3 CC(C)(C)O CNP0541010.0 [0,1,0,0,0,0|2,0,1]=4 249 B4R0.3 CP(=O)(O)O CNP0605019.0 [0,1,0,0,0,0|1,0,0]=2 250 B4R0.3 CS(=O)(=O)C CNP0605129.0 [0,1,0,0,0,0|2,0,1]=4 251 B4R0.3 CS(=O)(=O)Cl CNP0595350.0 [0,1,0,0,0,0|2,0,1]=4 252 B4R0.3 CS(=O)(=O)O CNP0491438.0 [0,1,0,0,0,0|1,0,1]=3 253 B4R0.3 CS(=O)(=O)S CNP0506131.0 [0,1,0,0,0,0|1,1,1]=4 254 B4R0.3 CS(=S)(C)O CNP0608926.0 [0,1,0,0,0,0|2,1,0]=4 255 B4R0.3 C[As](=O)(C)O CNP0492406.0 [0,1,0,0,0,0|2,0,0]=3 256 B4R0.3 C[As](=O)(O)O CNP0536186.0 [0,1,0,0,0,0|1,0,0]=2 257 B4R0.3 C[N+](C)(C)O CNP0585867.0 [0,1,0,0,0,0|3,0,0]=4 258 B4R0.3 C[Si](C)(C)O CNP0575582.0 [0,1,0,0,0,0|2,1,0]=4 259 B4R0.3 C[Si](C)(O)O CNP0563438.0 [0,1,0,0,0,0|1,1,0]=3 260 B4R0.3 NP(=O)(O)O CNP0610116.0 [0,1,0,0,0,0|1,0,0]=2 261 B4R0.3 NS(=O)(=O)O CNP0504817.0 [0,1,0,0,0,0|1,0,1]=3 262 B4R0.3 O=P(=O)(O)O CNP0483652.0 [0,1,0,0,0,0|1,0,0]=2 263 B4R0.3 O=P(Cl)(Cl)Cl CNP0574545.0 [0,1,0,0,0,0|3,0,0]=4 264 B4R0.3 O=P(O)(O)O CNP0532830.0 [0,1,0,0,0,0|1,0,0]=2 265 B4R0.3 O=P(O)(O)[SeH] CNP0610069.0 [0,1,0,0,0,0|1,0,0]=2 266 B4R0.3 O=S(=O)(O)O CNP0526659.0 [0,1,0,0,0,0|1,0,0]=2 267 B4R0.3 O=S(=O)(O)S CNP0487364.0 [0,1,0,0,0,0|1,0,1]=3 268 B4R0.3 O=S(=S)(O)O CNP0498551.0 [0,1,0,0,0,0|1,0,0]=2 269 B4R0.3 O=[As](O)(O)O CNP0508765.0 [0,1,0,0,0,0|1,0,0]=2 270 B4R0.3 O=[Mn](=O)(=O)=O CNP0547520.0 [0,1,0,0,0,0|1,0,2]=4 271 B4R0.3 O=[Mn](=O)(=O)O CNP0564480.0 [0,1,0,0,0,0|1,0,1]=3 272 B4R0.3 O=[Mo](=O)(O)O CNP0592026.0 [0,1,0,0,0,0|1,0,0]=2 273 B4R0.3 O=[Se](=O)(O)O CNP0517052.0 [0,1,0,0,0,0|1,0,0]=2 274 B4R0.3 OP(=[Se])(O)O CNP0541836.0 [0,1,0,0,0,0|1,0,1]=3 275 B4R0.3 O[Si](O)(O)O CNP0505433.0 [0,1,0,0,0,0|0,1,1]=3 276 B4R0.3 [O-][Cl+3]([O-])([O-])O CNP0573575.0 [0,1,0,0,0,0|1,0,2]=4 277 B4R1.2 CC1=CC1 CNP0610335.0 [0,0,0,1,0,0|3,0,0]=4 278 B4R1.2 CC1CO1 CNP0586888.0 [0,0,0,1,0,0|2,0,1]=4 279 B4R1.2 OC1OO1 CNP0541068.0 [0,0,0,1,0,0|0,0,2]=3 280 B1R0.1 BrBr CNP0505236.0 [2,0,0,0,0,0|2,0,0]=4 281 B1R0.1 C#C CNP0511228.0 [2,0,0,0,0,0|1,0,1]=4 282 B1R0.1 C#N CNP0572559.0 [2,0,0,0,0,0|1,0,1]=4 283 B1R0.1 C=C CNP0492509.0 [2,0,0,0,0,0|1,0,0]=3 284 B1R0.1 C=O CNP0577301.0 [2,0,0,0,0,0|0,0,0]=2 285 B1R0.1 CBr CNP0579982.0 [2,0,0,0,0,0|1,0,1]=4 286 B1R0.1 CC CNP0522070.0 [2,0,0,0,0,0|1,0,1]=4 287 B1R0.1 CCl CNP0532980.0 [2,0,0,0,0,0|1,0,1]=4 288 B1R0.1 CI CNP0504070.0 [2,0,0,0,0,0|1,0,1]=4 289 B1R0.1 CN CNP0593707.0 [2,0,0,0,0,0|1,0,1]=4 290 B1R0.1 CO CNP0534529.0 [2,0,0,0,0,0|0,0,1]=3 291 B1R0.1 CS CNP0491451.0 [2,0,0,0,0,0|0,1,1]=4 292 B1R0.1 C[Hg+] CNP0514433.0 [2,0,0,0,0,0|1,0,1]=4 293 B1R0.1 C[O] CNP0524894.0 [2,0,0,0,0,0|0,0,2]=4 294 B1R0.1 C[SeH] CNP0480708.0 [2,0,0,0,0,0|0,1,1]=4 295 B1R0.1 ClCl CNP0564417.0 [2,0,0,0,0,0|2,0,0]=4 296 B1R0.1 Cl[TlH2] CNP0576412.0 [2,0,0,0,0,0|2,0,0]=4 297 B1R0.1 II CNP0513028.0 [2,0,0,0,0,0|2,0,0]=4 298 B1R0.1 I[Hg] CNP0548877.0 [2,0,0,0,0,0|2,0,0]=4 299 B1R0.1 N#N CNP0491045.0 [2,0,0,0,0,0|2,0,0]=4 300 B1R0.1 N=O CNP0597172.0 [2,0,0,0,0,0|1,0,0]=3 301 B1R0.1 NN CNP0568901.0 [2,0,0,0,0,0|2,0,0]=4 302 B1R0.1 NO CNP0583127.0 [2,0,0,0,0,0|1,0,0]=3 303 B1R0.1 O=O CNP0554563.0 [2,0,0,0,0,0|0,0,1]=3 304 B1R0.1 O=[Ca] CNP0479999.0 [2,0,0,0,0,0|1,0,0]=3 305 B1R0.1 O=[Fe] CNP0507758.0 [2,0,0,0,0,0|1,0,0]=3 306 B1R0.1 O=[Mg] CNP0534533.0 [2,0,0,0,0,0|1,0,0]=3 307 B1R0.1 O=[Zn] CNP0524985.0 [2,0,0,0,0,0|1,0,0]=3 308 B1R0.1 OCl CNP0592985.0 [2,0,0,0,0,0|1,0,0]=3 309 B1R0.1 OO CNP0525256.0 [2,0,0,0,0,0|0,0,0]=2 310 B1R0.1 O[SiH3] CNP0519560.0 [2,0,0,0,0,0|0,1,0]=3 311 B1R0.1 PP CNP0509731.0 [2,0,0,0,0,0|2,0,0]=4 312 B1R0.1 S=S CNP0549656.0 [2,0,0,0,0,0|0,2,0]=4 313 B1R0.1 S=[AsH] CNP0538289.0 [2,0,0,0,0,0|1,1,0]=4 314 B1R0.1 S=[Cd] CNP0560564.0 [2,0,0,0,0,0|1,1,0]=4 315 B1R0.1 S=[Hg] CNP0507503.0 [2,0,0,0,0,0|1,1,0]=4 316 B1R0.1 SS CNP0553258.0 [2,0,0,0,0,0|0,2,0]=4 317 B1R0.1 S[AsH2] CNP0561326.0 [2,0,0,0,0,0|1,1,0]=4 318 B1R0.1 S[As] CNP0546534.0 [2,0,0,0,0,0|1,1,0]=4 319 B1R0.1 [13CH]#[15N] CNP0538679.0 [2,0,0,0,0,0|1,0,1]=4 320 B1R0.1 [C-]#[O+] CNP0572564.0 [2,0,0,0,0,0|0,0,2]=4 321 B1R0.1 [Cu]I CNP0592352.0 [2,0,0,0,0,0|2,0,0]=4 322 B1R0.1 [K]Br CNP0506686.0 [2,0,0,0,0,0|2,0,0]=4 323 B1R0.1 [NH3+][O-] CNP0579672.0 [2,0,0,0,0,0|1,0,1]=4 324 B1R0.1 [N]=O CNP0547371.0 [2,0,0,0,0,0|1,0,0]=3 325 B1R0.1 [O]O CNP0532421.0 [2,0,0,0,0,0|0,0,1]=3 326 B1R0.1 [Se]=[Se] CNP0539243.0 [2,0,0,0,0,0|0,2,0]=4 327 B3R0.1 C#CC=O CNP0511000.0 [1,1,0,0,0,0|1,0,0]=3 328 B3R0.1 C#CCO CNP0488604.0 [1,1,0,0,0,0|1,0,1]=4 329 B3R0.1 C=C=CBr CNP0595246.0 [1,1,0,0,0,0|2,0,0]=4 330 B3R0.1 C=C=CC CNP0584937.0 [1,1,0,0,0,0|2,0,0]=4 331 B3R0.1 C=CC#N CNP0580732.0 [1,1,0,0,0,0|2,0,0]=4 332 B3R0.1 C=CC=C CNP0574781.0 [1,1,0,0,0,0|2,0,0]=4 333 B3R0.1 C=CC=O CNP0603221.0 [1,1,0,0,0,0|1,0,0]=3 334 B3R0.1 C=CC=S CNP0501678.0 [1,1,0,0,0,0|1,1,0]=4 335 B3R0.1 C=CCC CNP0490956.0 [1,1,0,0,0,0|2,0,0]=4 336 B3R0.1 C=CCN CNP0585503.0 [1,1,0,0,0,0|2,0,0]=4 337 B3R0.1 C=CCO CNP0561492.0 [1,1,0,0,0,0|1,0,0]=3 338 B3R0.1 C=CCS CNP0575677.0 [1,1,0,0,0,0|1,1,0]=4 339 B3R0.1 C=COC CNP0611794.0 [1,1,0,0,0,0|1,0,0]=3 340 B3R0.1 CC=CBr CNP0509639.0 [1,1,0,0,0,0|2,0,0]=4 341 B3R0.1 CC=CC CNP0597271.0 [1,1,0,0,0,0|2,0,0]=4 342 B3R0.1 CC=CS CNP0589530.0 [1,1,0,0,0,0|1,1,0]=4 343 B3R0.1 CC=NO CNP0512137.0 [1,1,0,0,0,0|1,0,0]=3 344 B3R0.1 CC=[N+]=[N-] CNP0532727.0 [1,1,0,0,0,0|2,0,0]=4 345 B3R0.1 CCC=O CNP0570013.0 [1,1,0,0,0,0|1,0,0]=3 346 B3R0.1 CCC=S CNP0546828.0 [1,1,0,0,0,0|1,1,0]=4 347 B3R0.1 CCCO CNP0605151.0 [1,1,0,0,0,0|1,0,1]=4 348 B3R0.1 CCN=O CNP0552947.0 [1,1,0,0,0,0|1,0,1]=4 349 B3R0.1 CCOC CNP0484105.0 [1,1,0,0,0,0|1,0,1]=4 350 B3R0.1 CCOO CNP0591807.0 [1,1,0,0,0,0|1,0,1]=4 351 B3R0.1 CCSO CNP0559716.0 [1,1,0,0,0,0|1,0,1]=4 352 B3R0.1 CN=C=O CNP0542197.0 [1,1,0,0,0,0|1,0,1]=4 353 B3R0.1 CNC=O CNP0565671.0 [1,1,0,0,0,0|1,0,0]=3 354 B3R0.1 COC=O CNP0494242.0 [1,1,0,0,0,0|0,0,0]=2 355 B3R0.1 COOC CNP0610139.0 [1,1,0,0,0,0|2,0,0]=4 356 B3R0.1 ClC=CCl CNP0610334.0 [1,1,0,0,0,0|2,0,0]=4 357 B3R0.1 N#CSO CNP0569271.0 [1,1,0,0,0,0|1,0,1]=4 358 B3R0.1 N=CCN CNP0547283.0 [1,1,0,0,0,0|2,0,0]=4 359 B3R0.1 NC=CS CNP0577276.0 [1,1,0,0,0,0|1,1,0]=4 360 B3R0.1 NCC=O CNP0566697.0 [1,1,0,0,0,0|1,0,0]=3 361 B3R0.1 NCCO CNP0581653.0 [1,1,0,0,0,0|1,0,1]=4 362 B3R0.1 NNC=O CNP0501881.0 [1,1,0,0,0,0|1,0,0]=3 363 B3R0.1 O=BOO CNP0541096.0 [1,1,0,0,0,0|1,0,0]=3 364 B3R0.1 O=CC=O CNP0605189.0 [1,1,0,0,0,0|0,0,1]=3 365 B3R0.1 O=CCBr CNP0516788.0 [1,1,0,0,0,0|1,0,0]=3 366 B3R0.1 O=CCO CNP0600524.0 [1,1,0,0,0,0|0,0,0]=2 367 B3R0.1 O=CCS CNP0591045.0 [1,1,0,0,0,0|0,1,0]=3 368 B3R0.1 O=NOO CNP0508221.0 [1,1,0,0,0,0|1,0,0]=3 369 B3R0.1 OC=CO CNP0508859.0 [1,1,0,0,0,0|0,0,0]=2 370 B3R0.1 OCCCl CNP0532317.0 [1,1,0,0,0,0|1,0,1]=4 371 B3R0.1 OCCI CNP0489668.0 [1,1,0,0,0,0|1,0,1]=4 372 B3R0.1 OCCO CNP0484938.0 [1,1,0,0,0,0|0,0,1]=3 373 B3R0.1 OCCS CNP0576505.0 [1,1,0,0,0,0|0,1,1]=4 374 B5R0.1 C#CCC(=O)O CNP0049385.0 [0,2,0,0,0,0|1,0,0]=3 375 B5R0.1 C=C(Br)CCO CNP0595001.0 [0,2,0,0,0,0|2,0,0]=4 376 B5R0.1 C=C(C)CCO CNP0285127.0 [0,2,0,0,0,0|2,0,0]=4 377 B5R0.1 C=C(O)CCC CNP0003382.0 [0,2,0,0,0,0|2,0,0]=4 378 B5R0.1 C=CCC(=O)C CNP0385825.0 [0,2,0,0,0,0|2,0,0]=4 379 B5R0.1 C=CCC(=O)N CNP0292806.0 [0,2,0,0,0,0|2,0,0]=4 380 B5R0.1 C=CCC(=O)O CNP0172155.0 [0,2,0,0,0,0|1,0,0]=3 381 B5R0.1 C=COC(=O)C CNP0003526.0 [0,2,0,0,0,0|1,0,0]=3 382 B5R0.1 CC(=CC=O)C CNP0325416.0 [0,2,0,0,0,0|2,0,0]=4 383 B5R0.1 CC(=CCO)C CNP0241702.0 [0,2,0,0,0,0|2,0,0]=4 384 B5R0.1 CC(=O)C=NO CNP0397193.0 [0,2,0,0,0,0|1,0,0]=3 385 B5R0.1 CC(=O)CCO CNP0251527.0 [0,2,0,0,0,0|1,0,0]=3 386 B5R0.1 CC(=O)CCS CNP0404753.0 [0,2,0,0,0,0|1,1,0]=4 387 B5R0.1 CC(=O)OCS CNP0547679.0 [0,2,0,0,0,0|1,0,0]=3 388 B5R0.1 CC=CC(=O)C CNP0158055.0 [0,2,0,0,0,0|2,0,0]=4 389 B5R0.1 CC=CC(=O)Cl CNP0018733.0 [0,2,0,0,0,0|2,0,0]=4 390 B5R0.1 CC=CC(=O)N CNP0376163.0 [0,2,0,0,0,0|2,0,0]=4 391 B5R0.1 CC=CC(=O)O CNP0379669.0 [0,2,0,0,0,0|1,0,0]=3 392 B5R0.1 CC=CC(=O)S CNP0128183.0 [0,2,0,0,0,0|1,1,0]=4 393 B5R0.1 CCC=C(C)O CNP0225775.0 [0,2,0,0,0,0|2,0,0]=4 394 B5R0.1 CCCC(=O)C CNP0169448.0 [0,2,0,0,0,0|2,0,0]=4 395 B5R0.1 CCCC(=O)N CNP0115101.0 [0,2,0,0,0,0|2,0,0]=4 396 B5R0.1 CCCC(=O)O CNP0259447.0 [0,2,0,0,0,0|1,0,0]=3 397 B5R0.1 CCCC(=O)[O-] CNP0521413.0 [0,2,0,0,0,0|1,0,1]=4 398 B5R0.1 CCCC(O)O CNP0076336.0 [0,2,0,0,0,0|1,0,1]=4 399 B5R0.1 CCNC(=O)C CNP0260078.0 [0,2,0,0,0,0|2,0,0]=4 400 B5R0.1 CCOC(=O)C CNP0322418.0 [0,2,0,0,0,0|1,0,0]=3 401 B5R0.1 CCOC(=O)N CNP0336700.0 [0,2,0,0,0,0|1,0,0]=3 402 B5R0.1 CCOC(=O)O CNP0166515.0 [0,2,0,0,0,0|0,0,0]=2 403 B5R0.1 CCO[13C](=O)C CNP0577601.0 [0,2,0,0,0,0|1,0,0]=3 404 B5R0.1 CCSC(=O)C CNP0274861.0 [0,2,0,0,0,0|1,1,0]=4 405 B5R0.1 CNCC(=O)O CNP0307073.0 [0,2,0,0,0,0|1,0,0]=3 406 B5R0.1 CNCC(=O)O CNP0563704.0 [0,2,0,0,0,0|1,0,0]=3 407 B5R0.1 CNCC(=O)[O-] CNP0565920.0 [0,2,0,0,0,0|1,0,1]=4 408 B5R0.1 COCC(=O)C CNP0581024.0 [0,2,0,0,0,0|1,0,0]=3 409 B5R0.1 COCC(=O)O CNP0343219.0 [0,2,0,0,0,0|0,0,0]=2 410 B5R0.1 CSCC(=O)C CNP0002513.0 [0,2,0,0,0,0|1,1,0]=4 411 B5R0.1 CSCC(=O)O CNP0447839.0 [0,2,0,0,0,0|0,1,0]=3 412 B5R0.1 C[C@@H](O)CC=O CNP0197470.1 [0,2,0,0,0,0|1,0,1]=4 413 B5R0.1 C[C@@H](O)CCO CNP0110972.2 [0,2,0,0,0,0|1,0,1]=4 414 B5R0.1 C[C@H](O)CCO CNP0110972.1 [0,2,0,0,0,0|1,0,1]=4 415 B5R0.1 C[Se]CC(=O)O CNP0526449.0 [0,2,0,0,0,0|0,1,0]=3 416 B5R0.1 C[Te]CC(=O)O CNP0537189.0 [0,2,0,0,0,0|0,1,0]=3 417 B5R0.1 N#CCC(=O)N CNP0086390.0 [0,2,0,0,0,0|2,0,0]=4 418 B5R0.1 N#CCC(=O)O CNP0269115.0 [0,2,0,0,0,0|1,0,0]=3 419 B5R0.1 NC(=O)C=CI CNP0204270.0 [0,2,0,0,0,0|2,0,0]=4 420 B5R0.1 NCCC(=O)O CNP0226336.0 [0,2,0,0,0,0|1,0,0]=3 421 B5R0.1 NCCP(=O)O CNP0498602.0 [0,2,0,0,0,0|2,0,0]=4 422 B5R0.1 NCC[S@@](=O)O CNP0211926.2 [0,2,0,0,0,0|2,0,0]=4 423 B5R0.1 NCC[S@](=O)O CNP0211926.1 [0,2,0,0,0,0|2,0,0]=4 424 B5R0.1 NCNC(=O)N CNP0046326.0 [0,2,0,0,0,0|2,0,0]=4 425 B5R0.1 NOCC(=O)O CNP0293826.0 [0,2,0,0,0,0|0,0,0]=2 426 B5R0.1 O=C(O)C=CBr CNP0310992.0 [0,2,0,0,0,0|1,0,0]=3 427 B5R0.1 O=C(O)C=CCl CNP0293481.0 [0,2,0,0,0,0|1,0,0]=3 428 B5R0.1 O=C(O)C=CI CNP0239582.0 [0,2,0,0,0,0|1,0,0]=3 429 B5R0.1 O=C(O)C=NO CNP0286362.0 [0,2,0,0,0,0|0,0,0]=2 430 B5R0.1 O=C(O)CCO CNP0228379.0 [0,2,0,0,0,0|0,0,0]=2 431 B5R0.1 O=C(O)CCS CNP0097385.0 [0,2,0,0,0,0|0,1,0]=3 432 B5R0.1 O=C(O)CNO CNP0316873.0 [0,2,0,0,0,0|0,0,0]=2 433 B5R0.1 O=CC=C(Br)Br CNP0270728.0 [0,2,0,0,0,0|2,0,0]=4 434 B5R0.1 O=CCC(=O)O CNP0149091.0 [0,2,0,0,0,0|0,0,1]=3 435 B5R0.1 O=[N+]([O-])CCO CNP0479078.0 [0,2,0,0,0,0|1,0,1]=4 436 B5R0.1 [C-]#[N+]CC(=O)O CNP0534475.0 [0,2,0,0,0,0|1,0,0]=3 437 B5R0.3 C#CC(=O)OC CNP0572702.0 [0,2,0,0,0,0|1,0,0]=3 438 B5R0.3 C=C(C=O)CC CNP0542605.0 [0,2,0,0,0,0|2,0,0]=4 439 B5R0.3 C=CC(=O)CC CNP0362181.0 [0,2,0,0,0,0|2,0,0]=4 440 B5R0.3 C=CC(=O)OC CNP0217866.0 [0,2,0,0,0,0|1,0,0]=3 441 B5R0.3 CC(=NO)CO CNP0284253.0 [0,2,0,0,0,0|1,0,0]=3 442 B5R0.3 CC(CO)CO CNP0282467.0 [0,2,0,0,0,0|1,0,1]=4 443 B5R0.3 CC=C(C)C=O CNP0281160.0 [0,2,0,0,0,0|2,0,0]=4 444 B5R0.3 CC=C(C)CO CNP0120418.0 [0,2,0,0,0,0|2,0,0]=4 445 B5R0.3 CCC(=O)C=O CNP0301331.0 [0,2,0,0,0,0|1,0,1]=4 446 B5R0.3 CCC(=O)CC CNP0270305.0 [0,2,0,0,0,0|2,0,0]=4 447 B5R0.3 CCC(=O)CO CNP0165007.0 [0,2,0,0,0,0|1,0,0]=3 448 B5R0.3 CCC(=O)NN CNP0281170.0 [0,2,0,0,0,0|2,0,0]=4 449 B5R0.3 CCC(=O)OC CNP0166631.0 [0,2,0,0,0,0|1,0,0]=3 450 B5R0.3 CCC(=O)SC CNP0240172.0 [0,2,0,0,0,0|1,1,0]=4 451 B5R0.3 CCC(O)CO CNP0534149.0 [0,2,0,0,0,0|1,0,1]=4 452 B5R0.3 CN(C=O)CO CNP0412364.0 [0,2,0,0,0,0|2,0,0]=4 453 B5R0.3 CNC(=O)NC CNP0028412.0 [0,2,0,0,0,0|2,0,0]=4 454 B5R0.3 CNC(=O)OC CNP0483114.0 [0,2,0,0,0,0|1,0,0]=3 455 B5R0.3 COC(=O)CI CNP0017842.0 [0,2,0,0,0,0|1,0,0]=3 456 B5R0.3 COC(=O)NN CNP0033099.0 [0,2,0,0,0,0|1,0,0]=3 457 B5R0.3 COC(C)CO CNP0485411.0 [0,2,0,0,0,0|1,0,1]=4 458 B5R0.3 COC(C)OC CNP0122626.0 [0,2,0,0,0,0|1,0,1]=4 459 B5R0.3 N#CC(=O)C#N CNP0604126.0 [0,2,0,0,0,0|2,0,0]=4 460 B5R0.3 NC(CO)CO CNP0535001.0 [0,2,0,0,0,0|1,0,1]=4 461 B5R0.3 NCC(=O)NO CNP0470573.0 [0,2,0,0,0,0|1,0,0]=3 462 B5R0.3 O=C(CBr)CBr CNP0132836.0 [0,2,0,0,0,0|2,0,0]=4 463 B5R0.3 O=C(CBr)CI CNP0145168.0 [0,2,0,0,0,0|2,0,0]=4 464 B5R0.3 O=C(CCl)CBr CNP0149884.0 [0,2,0,0,0,0|2,0,0]=4 465 B5R0.3 O=C(CCl)CCl CNP0301990.0 [0,2,0,0,0,0|2,0,0]=4 466 B5R0.3 O=C(CCl)CI CNP0408833.0 [0,2,0,0,0,0|2,0,0]=4 467 B5R0.3 O=C(CO)CCl CNP0281226.0 [0,2,0,0,0,0|1,0,0]=3 468 B5R0.3 O=C(CO)CO CNP0303926.0 [0,2,0,0,0,0|0,0,0]=2 469 B5R0.3 O=CC(=CO)O CNP0278717.0 [0,2,0,0,0,0|0,0,0]=2 470 B5R0.3 O=CC(O)C=O CNP0083225.0 [0,2,0,0,0,0|0,0,2]=4 471 B5R0.3 O=C[C@H](O)CO CNP0359959.1 [0,2,0,0,0,0|0,0,1]=3 472 B5R0.3 OCC(O)CCl CNP0334066.0 [0,2,0,0,0,0|1,0,1]=4 473 B5R0.3 OCC(O)CO CNP0259986.0 [0,2,0,0,0,0|0,0,2]=4 474 B5R0.3 OC[C@@H](O)CS CNP0570311.1 [0,2,0,0,0,0|0,1,1]=4 475 B5R0.3 OC[C@H](O)CI CNP0103876.1 [0,2,0,0,0,0|1,0,1]=4 476 B5R0.3 [O]CC(=O)CCl CNP0505790.0 [0,2,0,0,0,0|1,0,1]=4 477 B5R0.4 C=CS(=O)(=O)O CNP0571857.0 [0,2,0,0,0,0|1,0,1]=4 478 B5R0.4 CC(C)(O)C=O CNP0300882.0 [0,2,0,0,0,0|1,0,1]=4 479 B5R0.4 CC(C)(O)CO CNP0307478.0 [0,2,0,0,0,0|1,0,1]=4 480 B5R0.4 CCP(=O)(O)O CNP0534713.0 [0,2,0,0,0,0|1,0,0]=3 481 B5R0.4 CCS(=O)(=O)O CNP0440629.0 [0,2,0,0,0,0|1,0,1]=4 482 B5R0.4 COP(=O)(O)O CNP0100207.0 [0,2,0,0,0,0|1,0,0]=3 483 B5R0.4 COS(=O)(=O)C CNP0336702.0 [0,2,0,0,0,0|1,0,1]=4 484 B5R0.4 CO[As](=O)(C)C CNP0017834.0 [0,2,0,0,0,0|2,0,0]=4 485 B5R0.4 CP(=O)(C)CO CNP0140331.0 [0,2,0,0,0,0|2,0,0]=4 486 B5R0.4 O=P(O)(O)CO CNP0297464.0 [0,2,0,0,0,0|1,0,0]=3 487 B5R0.4 O=P(O)(O)CS CNP0479695.0 [0,2,0,0,0,0|1,0,0]=3 488 B5R0.4 O=S(=O)(O)CO CNP0319937.0 [0,2,0,0,0,0|1,0,0]=3 489 B5R0.5 C=C(C)C(=O)C CNP0137327.0 [0,2,0,0,0,0|2,0,0]=4 490 B5R0.5 C=C(C)C(=O)Cl CNP0281632.0 [0,2,0,0,0,0|2,0,0]=4 491 B5R0.5 C=C(C)C(=O)N CNP0186369.0 [0,2,0,0,0,0|2,0,0]=4 492 B5R0.5 C=C(C)C(=O)O CNP0147624.0 [0,2,0,0,0,0|1,0,0]=3 493 B5R0.5 C=C(C)[C@@H](C)O CNP0221154.1 [0,2,0,0,0,0|2,0,0]=4 494 B5R0.5 C=C(C)[C@H](C)O CNP0221154.2 [0,2,0,0,0,0|2,0,0]=4 495 B5R0.5 C=C(Cl)C(=O)Cl CNP0018136.0 [0,2,0,0,0,0|2,0,0]=4 496 B5R0.5 C=C(Cl)C(=O)N CNP0229491.0 [0,2,0,0,0,0|2,0,0]=4 497 B5R0.5 C=C(Cl)C(=O)O CNP0239649.0 [0,2,0,0,0,0|1,0,0]=3 498 B5R0.5 C=C(N)C(=O)N CNP0591175.0 [0,2,0,0,0,0|2,0,0]=4 499 B5R0.5 C=C(N)C(=O)O CNP0224979.0 [0,2,0,0,0,0|1,0,0]=3 500 B5R0.5 C=C(O)C(=O)O CNP0422136.0 [0,2,0,0,0,0|0,0,0]=2 501 B5R0.5 C=C(O)C(C)C CNP0150035.0 [0,2,0,0,0,0|2,0,0]=4 502 B5R0.5 CC(=C(C)O)C CNP0164530.0 [0,2,0,0,0,0|2,0,0]=4 503 B5R0.5 CC(=N)C(=O)O CNP0556238.0 [0,2,0,0,0,0|1,0,0]=3 504 B5R0.5 CC(=O)C(=O)C CNP0153215.0 [0,2,0,0,0,0|1,0,1]=4 505 B5R0.5 CC(=O)C(=O)N CNP0289593.0 [0,2,0,0,0,0|1,0,1]=4 506 B5R0.5 CC(=O)C(=O)O CNP0269827.0 [0,2,0,0,0,0|0,0,1]=3 507 B5R0.5 CC(=O)C(Br)Br CNP0186139.0 [0,2,0,0,0,0|2,0,0]=4 508 B5R0.5 CC(=O)C(C)C CNP0209504.0 [0,2,0,0,0,0|2,0,0]=4 509 B5R0.5 CC(=O)C(C)S CNP0409589.0 [0,2,0,0,0,0|1,1,0]=4 510 B5R0.5 CC(=O)C(O)O CNP0547141.0 [0,2,0,0,0,0|0,0,1]=3 511 B5R0.5 CC(=O)N(C)C CNP0083052.0 [0,2,0,0,0,0|2,0,0]=4 512 B5R0.5 CC(=O)[C@@H](C)O CNP0395416.2 [0,2,0,0,0,0|1,0,0]=3 513 B5R0.5 CC(=O)[C@H](C)O CNP0395416.1 [0,2,0,0,0,0|1,0,0]=3 514 B5R0.5 CC(C)C(=O)Cl CNP0337045.0 [0,2,0,0,0,0|2,0,0]=4 515 B5R0.5 CC(C)C(=O)N CNP0226996.0 [0,2,0,0,0,0|2,0,0]=4 516 B5R0.5 CC(C)C(=O)O CNP0197560.0 [0,2,0,0,0,0|1,0,0]=3 517 B5R0.5 CC(O)C(=O)[O-] CNP0519619.0 [0,2,0,0,0,0|0,0,1]=3 518 B5R0.5 CC(O)C(=O)[O-] CNP0556254.0 [0,2,0,0,0,0|0,0,1]=3 519 B5R0.5 CC(O)C(=O)[O-] CNP0561690.0 [0,2,0,0,0,0|0,0,1]=3 520 B5R0.5 CC(O)C(=O)[O-] CNP0579849.0 [0,2,0,0,0,0|0,0,1]=3 521 B5R0.5 CC(O)C(=O)[O-] CNP0592207.0 [0,2,0,0,0,0|0,0,1]=3 522 B5R0.5 C[C@@H](N)C(=O)O CNP0313085.2 [0,2,0,0,0,0|1,0,0]=3 523 B5R0.5 C[C@@H](O)C(=O)O CNP0232038.2 [0,2,0,0,0,0|0,0,0]=2 524 B5R0.5 C[C@@H](O)[C@@H](C)O CNP0115674.2 [0,2,0,0,0,0|1,0,1]=4 525 B5R0.5 C[C@H](N)C(=O)O CNP0313085.1 [0,2,0,0,0,0|1,0,0]=3 526 B5R0.5 C[C@H](O)C(=O)O CNP0232038.1 [0,2,0,0,0,0|0,0,0]=2 527 B5R0.5 C[C@H](O)[C@@H](C)O CNP0115674.1 [0,2,0,0,0,0|1,0,1]=4 528 B5R0.5 C[C@H](O)[C@H](C)O CNP0115674.3 [0,2,0,0,0,0|1,0,1]=4 529 B5R0.5 C[C@H](S)C(=O)O CNP0223404.1 [0,2,0,0,0,0|0,1,0]=3 530 B5R0.5 NC(=O)C(=O)N CNP0365298.0 [0,2,0,0,0,0|1,0,1]=4 531 B5R0.5 NC(=O)C(=O)O CNP0300477.0 [0,2,0,0,0,0|0,0,1]=3 532 B5R0.5 NC(=O)C(Br)Br CNP0017791.0 [0,2,0,0,0,0|2,0,0]=4 533 B5R0.5 NC(=O)C(Cl)Cl CNP0516271.0 [0,2,0,0,0,0|2,0,0]=4 534 B5R0.5 NC(=O)C(I)I CNP0182681.0 [0,2,0,0,0,0|2,0,0]=4 535 B5R0.5 NC(=O)[C@@H](Cl)I CNP0321983.1 [0,2,0,0,0,0|2,0,0]=4 536 B5R0.5 N[C@H](O)C(=O)O CNP0294076.1 [0,2,0,0,0,0|0,0,0]=2 537 B5R0.5 O=C(Br)C(=O)Br CNP0244658.0 [0,2,0,0,0,0|1,0,1]=4 538 B5R0.5 O=C(O)C(=O)O CNP0235859.0 [0,2,0,0,0,0|0,0,0]=2 539 B5R0.5 O=C(O)C(Br)Br CNP0111357.0 [0,2,0,0,0,0|1,0,0]=3 540 B5R0.5 O=C(O)C(Cl)Cl CNP0151680.0 [0,2,0,0,0,0|1,0,0]=3 541 B5R0.5 O=C(O)C(I)I CNP0320084.0 [0,2,0,0,0,0|1,0,0]=3 542 B5R0.5 O=C(O)C(O)O CNP0603869.0 [0,2,0,0,0,0|0,0,0]=2 543 B5R0.5 O=C(O)[C@@H](Cl)Br CNP0017815.1 [0,2,0,0,0,0|1,0,0]=3 544 B5R0.5 O=C(O)[C@@H](Cl)I CNP0145949.2 [0,2,0,0,0,0|1,0,0]=3 545 B5R0.5 O=C(O)[C@H](Br)I CNP0246601.1 [0,2,0,0,0,0|1,0,0]=3 546 B5R0.5 O=C(O)[C@H](Cl)I CNP0145949.1 [0,2,0,0,0,0|1,0,0]=3 547 B5R0.5 O=S(O)S(=O)O CNP0446885.0 [0,2,0,0,0,0|1,0,0]=3 548 B5R0.5 O=[13C](O)[13C](=O)O CNP0502595.0 [0,2,0,0,0,0|0,0,0]=2 549 B5R0.5 OP(O)P(O)O CNP0550617.0 [0,2,0,0,0,0|1,0,1]=4 550 B3R1.1 C1CO1 CNP0573142.0 [1,0,0,1,0,0|1,0,1]=4 551 B3R1.1 O1OO1 CNP0556426.0 [1,0,0,1,0,0|1,0,0]=3 552 B5R1.2 O=C1CCO1 CNP0555602.0 [0,1,0,1,0,0|1,0,0]=3 553 B5R1.3 OCC1CO1 CNP0517243.0 [0,1,0,1,0,0|1,0,1]=4