0 B3R0.2 BrC(Br)Br CNP0524050.0 [0,0,0,0,0,0|4,0,0]=4 1 B3R0.2 BrC(Br)I CNP0520248.0 [0,0,0,0,0,0|4,0,0]=4 2 B3R0.2 BrC(I)I CNP0514657.0 [0,0,0,0,0,0|4,0,0]=4 3 B3R0.2 C=C(C)C CNP0512482.0 [0,0,0,0,0,0|1,0,1]=2 4 B3R0.2 C=C(C)O CNP0514997.0 [0,0,0,0,0,0|2,0,1]=3 5 B3R0.2 C=C(Cl)Cl CNP0573882.0 [0,0,0,0,0,0|3,0,1]=4 6 B3R0.2 CC(=N)S CNP0537692.0 [0,0,0,0,0,0|3,0,0]=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|3,0,0]=3 9 B3R0.2 CC(=O)N CNP0570171.0 [0,0,0,0,0,0|3,0,0]=3 10 B3R0.2 CC(=O)O CNP0495539.0 [0,0,0,0,0,0|3,0,0]=3 11 B3R0.2 CC(=O)[O-] CNP0505268.0 [0,0,0,0,0,0|3,0,0]=3 12 B3R0.2 CC(=S)N CNP0579768.0 [0,0,0,0,0,0|3,0,0]=3 13 B3R0.2 CC(C)C CNP0580677.0 [0,0,0,0,0,0|1,0,0]=1 14 B3R0.2 CC(C)I CNP0515098.0 [0,0,0,0,0,0|2,0,0]=2 15 B3R0.2 CC(C)N CNP0574231.0 [0,0,0,0,0,0|2,0,0]=2 16 B3R0.2 CC(C)O CNP0603430.0 [0,0,0,0,0,0|2,0,0]=2 17 B3R0.2 CC(C)S CNP0483016.0 [0,0,0,0,0,0|2,0,0]=2 18 B3R0.2 CN(C)C CNP0522907.0 [0,0,0,0,0,0|0,0,0]=0 19 B3R0.2 CN(C)N CNP0573264.0 [0,0,0,0,0,0|1,0,0]=1 20 B3R0.2 CP(=O)O CNP0480086.0 [0,0,0,0,0,0|2,1,0]=3 21 B3R0.2 CP(C)C CNP0586622.0 [0,0,0,0,0,0|0,1,0]=1 22 B3R0.2 CS(=S)O CNP0609306.0 [0,0,0,0,0,0|3,0,0]=3 23 B3R0.2 C[As](C)C CNP0539997.0 [0,0,0,0,0,0|0,1,0]=1 24 B3R0.2 C[As](C)O CNP0541907.0 [0,0,0,0,0,0|1,1,0]=2 25 B3R0.2 C[As](O)O CNP0579708.0 [0,0,0,0,0,0|2,1,0]=3 26 B3R0.2 C[N+](=N)[O-] CNP0532542.0 [0,0,0,0,0,0|2,0,1]=3 27 B3R0.2 C[S+](C)C CNP0555694.0 [0,0,0,0,0,0|1,0,0]=1 28 B3R0.2 C[S+](C)[O-] CNP0499675.0 [0,0,0,0,0,0|2,0,0]=2 29 B3R0.2 C[Se+](C)C CNP0504179.0 [0,0,0,0,0,0|1,0,0]=1 30 B3R0.2 C[SeH2](=[Se])C CNP0610734.0 [0,0,0,0,0,0|2,0,0]=2 31 B3R0.2 C[SeH](C)[SeH] CNP0608908.0 [0,0,0,0,0,0|2,0,0]=2 32 B3R0.2 C[Se](=O)O CNP0501647.0 [0,0,0,0,0,0|3,0,0]=3 33 B3R0.2 ClC(Br)Br CNP0573891.0 [0,0,0,0,0,0|4,0,0]=4 34 B3R0.2 ClC(Cl)Br CNP0524174.0 [0,0,0,0,0,0|4,0,0]=4 35 B3R0.2 ClC(Cl)Cl CNP0479643.0 [0,0,0,0,0,0|4,0,0]=4 36 B3R0.2 ClN(Cl)Cl CNP0555840.0 [0,0,0,0,0,0|3,0,0]=3 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|4,0,0]=4 40 B3R0.2 Cl[C@H](Br)I CNP0538147.1 [0,0,0,0,0,0|4,0,0]=4 41 B3R0.2 Cl[Sb](Cl)Cl CNP0508944.0 [0,0,0,0,0,0|3,1,0]=4 42 B3R0.2 IC(I)I CNP0599207.0 [0,0,0,0,0,0|4,0,0]=4 43 B3R0.2 N=C(N)N CNP0564001.0 [0,0,0,0,0,0|4,0,0]=4 44 B3R0.2 N=C(N)S CNP0589508.0 [0,0,0,0,0,0|4,0,0]=4 45 B3R0.2 N=C(S)S CNP0522891.0 [0,0,0,0,0,0|4,0,0]=4 46 B3R0.2 NC(=O)N CNP0520286.0 [0,0,0,0,0,0|4,0,0]=4 47 B3R0.2 NC(=O)O CNP0575336.0 [0,0,0,0,0,0|4,0,0]=4 48 B3R0.2 NC(=S)N CNP0599742.0 [0,0,0,0,0,0|4,0,0]=4 49 B3R0.2 NC(=S)S CNP0574797.0 [0,0,0,0,0,0|4,0,0]=4 50 B3R0.2 N[14C](=O)N CNP0600423.0 [0,0,0,0,0,0|4,0,0]=4 51 B3R0.2 O=C(O)O CNP0491655.0 [0,0,0,0,0,0|4,0,0]=4 52 B3R0.2 O=C(O)P CNP0562466.0 [0,0,0,0,0,0|4,0,0]=4 53 B3R0.2 O=P(O)O CNP0517495.0 [0,0,0,0,0,0|3,1,0]=4 54 B3R0.2 O=S(=O)O CNP0578309.0 [0,0,0,0,0,0|4,0,0]=4 55 B3R0.2 O=S(O)O CNP0520227.0 [0,0,0,0,0,0|4,0,0]=4 56 B3R0.2 O=[Mo+6](O)O CNP0512146.0 [0,0,0,0,0,0|4,0,0]=4 57 B3R0.2 O=[Mo](=O)S CNP0576700.0 [0,0,0,0,0,0|4,0,0]=4 58 B3R0.2 O=[N+]([O-])O CNP0534371.0 [0,0,0,0,0,0|3,0,1]=4 59 B3R0.2 O=[Se](O)O CNP0605088.0 [0,0,0,0,0,0|4,0,0]=4 60 B3R0.2 O=[Si](O)O CNP0567325.0 [0,0,0,0,0,0|4,0,0]=4 61 B3R0.2 OB(O)O CNP0568939.0 [0,0,0,0,0,0|4,0,0]=4 62 B3R0.2 OC(O)O CNP0594478.0 [0,0,0,0,0,0|4,0,0]=4 63 B3R0.2 O[As](O)O CNP0559543.0 [0,0,0,0,0,0|3,1,0]=4 64 B3R0.2 O[Sb](O)O CNP0536687.0 [0,0,0,0,0,0|3,1,0]=4 65 B3R0.2 O[Zn-](O)O CNP0493920.0 [0,0,0,0,0,0|4,0,0]=4 66 B3R0.2 [CH2]C(C)C CNP0571096.0 [0,0,0,0,0,0|1,0,1]=2 67 B3R0.2 [O-][Br+2]([O-])O CNP0595435.0 [0,0,0,0,0,0|4,0,0]=4 68 B3R0.2 [O-][Cl+2]([O-])O CNP0497451.0 [0,0,0,0,0,0|4,0,0]=4 69 B3R0.2 [O-][I+2]([O-])O CNP0595098.0 [0,0,0,0,0,0|4,0,0]=4 70 B2R0.1 BrCBr CNP0494232.0 [1,0,0,0,0,0|3,0,0]=4 71 B2R0.1 BrCI CNP0594254.0 [1,0,0,0,0,0|3,0,0]=4 72 B2R0.1 C=CBr CNP0609063.0 [1,0,0,0,0,0|2,0,1]=4 73 B2R0.1 C=CC CNP0522895.0 [1,0,0,0,0,0|1,0,1]=3 74 B2R0.1 C=CO CNP0606787.0 [1,0,0,0,0,0|2,0,1]=4 75 B2R0.1 C=C[O] CNP0584213.0 [1,0,0,0,0,0|2,0,1]=4 76 B2R0.1 C=NO CNP0573273.0 [1,0,0,0,0,0|1,0,2]=4 77 B2R0.1 C=[N+]=[N-] CNP0484380.0 [1,0,0,0,0,0|1,0,2]=4 78 B2R0.1 CC#N CNP0510997.0 [1,0,0,0,0,0|2,0,0]=3 79 B2R0.1 CC=O CNP0566693.0 [1,0,0,0,0,0|2,0,0]=3 80 B2R0.1 CCBr CNP0511569.0 [1,0,0,0,0,0|2,0,0]=3 81 B2R0.1 CCC CNP0529348.0 [1,0,0,0,0,0|1,0,0]=2 82 B2R0.1 CCCl CNP0605324.0 [1,0,0,0,0,0|2,0,0]=3 83 B2R0.1 CCI CNP0562236.0 [1,0,0,0,0,0|2,0,0]=3 84 B2R0.1 CCN CNP0561286.0 [1,0,0,0,0,0|2,0,0]=3 85 B2R0.1 CCO CNP0546367.0 [1,0,0,0,0,0|2,0,0]=3 86 B2R0.1 CCS CNP0491795.0 [1,0,0,0,0,0|2,0,0]=3 87 B2R0.1 CN=N CNP0513298.0 [1,0,0,0,0,0|1,0,1]=3 88 B2R0.1 CNC CNP0491602.0 [1,0,0,0,0,0|0,0,0]=1 89 B2R0.1 CNN CNP0609070.0 [1,0,0,0,0,0|1,0,0]=2 90 B2R0.1 COC CNP0580850.0 [1,0,0,0,0,0|1,0,0]=2 91 B2R0.1 CON CNP0566773.0 [1,0,0,0,0,0|2,0,0]=3 92 B2R0.1 CPC CNP0528872.0 [1,0,0,0,0,0|0,1,0]=2 93 B2R0.1 CSC CNP0569922.0 [1,0,0,0,0,0|1,0,0]=2 94 B2R0.1 CSS CNP0611991.0 [1,0,0,0,0,0|2,0,0]=3 95 B2R0.1 C[C]=O CNP0538355.0 [1,0,0,0,0,0|2,0,0]=3 96 B2R0.1 C[C]O CNP0601692.0 [1,0,0,0,0,0|2,0,0]=3 97 B2R0.1 C[Se]C CNP0500399.0 [1,0,0,0,0,0|1,0,0]=2 98 B2R0.1 C[Te]C CNP0483858.0 [1,0,0,0,0,0|1,0,0]=2 99 B2R0.1 ClCBr CNP0528283.0 [1,0,0,0,0,0|3,0,0]=4 100 B2R0.1 ClCCl CNP0529345.0 [1,0,0,0,0,0|3,0,0]=4 101 B2R0.1 ClCI CNP0600514.0 [1,0,0,0,0,0|3,0,0]=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|3,0,0]=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|3,0,0]=4 108 B2R0.1 N#CO CNP0521200.0 [1,0,0,0,0,0|3,0,0]=4 109 B2R0.1 N#CS CNP0590020.0 [1,0,0,0,0,0|3,0,0]=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|3,0,0]=4 112 B2R0.1 N=C=S CNP0609053.0 [1,0,0,0,0,0|3,0,0]=4 113 B2R0.1 NC=O CNP0569834.0 [1,0,0,0,0,0|3,0,0]=4 114 B2R0.1 NN=O CNP0610110.0 [1,0,0,0,0,0|2,0,1]=4 115 B2R0.1 O=BO CNP0512281.0 [1,0,0,0,0,0|3,0,0]=4 116 B2R0.1 O=C=O CNP0566212.0 [1,0,0,0,0,0|3,0,0]=4 117 B2R0.1 O=C=S CNP0558182.0 [1,0,0,0,0,0|3,0,0]=4 118 B2R0.1 O=CO CNP0494819.0 [1,0,0,0,0,0|3,0,0]=4 119 B2R0.1 O=NCl CNP0485266.0 [1,0,0,0,0,0|2,0,1]=4 120 B2R0.1 O=NO CNP0506888.0 [1,0,0,0,0,0|2,0,1]=4 121 B2R0.1 O=PO CNP0574430.0 [1,0,0,0,0,0|2,1,0]=4 122 B2R0.1 O=S=O CNP0483725.0 [1,0,0,0,0,0|3,0,0]=4 123 B2R0.1 O=[Mn]=O CNP0493383.0 [1,0,0,0,0,0|3,0,0]=4 124 B2R0.1 O=[Mn]=O CNP0609067.0 [1,0,0,0,0,0|3,0,0]=4 125 B2R0.1 O=[O+][O-] CNP0518683.0 [1,0,0,0,0,0|3,0,0]=4 126 B2R0.1 O=[Se]=O CNP0593099.0 [1,0,0,0,0,0|3,0,0]=4 127 B2R0.1 O=[Si]=O CNP0514392.0 [1,0,0,0,0,0|3,0,0]=4 128 B2R0.1 O=[Te]=O CNP0564386.0 [1,0,0,0,0,0|3,0,0]=4 129 B2R0.1 O=[Ti]=O CNP0587503.0 [1,0,0,0,0,0|3,0,0]=4 130 B2R0.1 OCO CNP0551435.0 [1,0,0,0,0,0|3,0,0]=4 131 B2R0.1 OOO CNP0557106.0 [1,0,0,0,0,0|3,0,0]=4 132 B2R0.1 OPO CNP0602064.0 [1,0,0,0,0,0|2,1,0]=4 133 B2R0.1 S=C=S CNP0482880.0 [1,0,0,0,0,0|3,0,0]=4 134 B2R0.1 S=S=S CNP0503807.0 [1,0,0,0,0,0|3,0,0]=4 135 B2R0.1 S=[Se]=S CNP0553318.0 [1,0,0,0,0,0|3,0,0]=4 136 B2R0.1 SCS CNP0488241.0 [1,0,0,0,0,0|3,0,0]=4 137 B2R0.1 [C-]#[N+]C CNP0561919.0 [1,0,0,0,0,0|0,0,2]=3 138 B2R0.1 [CH-]=CC CNP0546792.0 [1,0,0,0,0,0|1,0,1]=3 139 B2R0.1 [CH2]CC CNP0535049.0 [1,0,0,0,0,0|1,0,1]=3 140 B2R0.1 [N-]=[N+]=N CNP0499493.0 [1,0,0,0,0,0|2,0,1]=4 141 B2R0.1 [O-][Cl+]O CNP0497237.0 [1,0,0,0,0,0|3,0,0]=4 142 B4R0.1 C#CC(=C)C CNP0599820.0 [0,1,0,0,0,0|1,0,2]=4 143 B4R0.1 C#CC(C)C CNP0586699.0 [0,1,0,0,0,0|1,0,1]=3 144 B4R0.1 C=C(Br)CO CNP0506207.0 [0,1,0,0,0,0|2,0,1]=4 145 B4R0.1 C=C(C)C#N CNP0560504.0 [0,1,0,0,0,0|1,0,2]=4 146 B4R0.1 C=C(C)C=O CNP0479149.0 [0,1,0,0,0,0|1,0,2]=4 147 B4R0.1 C=C(C)CC CNP0605035.0 [0,1,0,0,0,0|1,0,1]=3 148 B4R0.1 C=C(C)CO CNP0505353.0 [0,1,0,0,0,0|1,0,1]=3 149 B4R0.1 C=CC(=C)C CNP0489519.0 [0,1,0,0,0,0|1,0,2]=4 150 B4R0.1 C=CC(=O)C CNP0571315.0 [0,1,0,0,0,0|2,0,1]=4 151 B4R0.1 C=CC(C)C CNP0589769.0 [0,1,0,0,0,0|1,0,1]=3 152 B4R0.1 C=C[C@@H](C)O CNP0512445.2 [0,1,0,0,0,0|2,0,1]=4 153 B4R0.1 C=C[C@H](C)O CNP0512445.1 [0,1,0,0,0,0|2,0,1]=4 154 B4R0.1 CC(=NO)C CNP0591673.0 [0,1,0,0,0,0|2,0,0]=3 155 B4R0.1 CC(=O)C#N CNP0551952.0 [0,1,0,0,0,0|2,0,1]=4 156 B4R0.1 CC(=O)C=O CNP0574322.0 [0,1,0,0,0,0|2,0,1]=4 157 B4R0.1 CC(=O)CBr CNP0602861.0 [0,1,0,0,0,0|2,0,0]=3 158 B4R0.1 CC(=O)CI CNP0515381.0 [0,1,0,0,0,0|2,0,0]=3 159 B4R0.1 CC(=O)CN CNP0602829.0 [0,1,0,0,0,0|2,0,0]=3 160 B4R0.1 CC(=O)CO CNP0487266.0 [0,1,0,0,0,0|2,0,0]=3 161 B4R0.1 CC(=O)CS CNP0514893.0 [0,1,0,0,0,0|2,0,0]=3 162 B4R0.1 CC(=O)N=N CNP0591627.0 [0,1,0,0,0,0|3,0,0]=4 163 B4R0.1 CC(=O)NN CNP0503904.0 [0,1,0,0,0,0|3,0,0]=4 164 B4R0.1 CC(=O)NO CNP0518042.0 [0,1,0,0,0,0|3,0,0]=4 165 B4R0.1 CC(=O)OO CNP0491052.0 [0,1,0,0,0,0|3,0,0]=4 166 B4R0.1 CC(=O)O[Hg+] CNP0504265.0 [0,1,0,0,0,0|3,0,0]=4 167 B4R0.1 CC(C)C=O CNP0511471.0 [0,1,0,0,0,0|1,0,1]=3 168 B4R0.1 CC(C)C=[17O] CNP0484940.0 [0,1,0,0,0,0|1,0,1]=3 169 B4R0.1 CC(C)CN CNP0490050.0 [0,1,0,0,0,0|1,0,0]=2 170 B4R0.1 CC(C)CO CNP0493868.0 [0,1,0,0,0,0|1,0,0]=2 171 B4R0.1 CC(C)CS CNP0494383.0 [0,1,0,0,0,0|1,0,0]=2 172 B4R0.1 CC(N)C#N CNP0567528.0 [0,1,0,0,0,0|2,0,1]=4 173 B4R0.1 CC(N)C=O CNP0531209.0 [0,1,0,0,0,0|2,0,1]=4 174 B4R0.1 CC(N)CN CNP0579261.0 [0,1,0,0,0,0|2,0,0]=3 175 B4R0.1 CC(S)CS CNP0488983.0 [0,1,0,0,0,0|2,0,0]=3 176 B4R0.1 CC=C(C)C CNP0502707.0 [0,1,0,0,0,0|1,0,0]=2 177 B4R0.1 CCC(=N)S CNP0544659.0 [0,1,0,0,0,0|3,0,0]=4 178 B4R0.1 CCC(=O)Br CNP0583620.0 [0,1,0,0,0,0|3,0,0]=4 179 B4R0.1 CCC(=O)C CNP0486447.0 [0,1,0,0,0,0|2,0,0]=3 180 B4R0.1 CCC(=O)Cl CNP0502198.0 [0,1,0,0,0,0|3,0,0]=4 181 B4R0.1 CCC(=O)I CNP0549008.0 [0,1,0,0,0,0|3,0,0]=4 182 B4R0.1 CCC(=O)N CNP0512752.0 [0,1,0,0,0,0|3,0,0]=4 183 B4R0.1 CCC(=O)O CNP0572679.0 [0,1,0,0,0,0|3,0,0]=4 184 B4R0.1 CCC(=O)[O-] CNP0505645.0 [0,1,0,0,0,0|3,0,0]=4 185 B4R0.1 CCC(=O)[O-] CNP0584211.0 [0,1,0,0,0,0|3,0,0]=4 186 B4R0.1 CCC(=O)[O-] CNP0604604.0 [0,1,0,0,0,0|3,0,0]=4 187 B4R0.1 CCC(C)C CNP0492867.0 [0,1,0,0,0,0|1,0,0]=2 188 B4R0.1 CCC(C)N CNP0520467.0 [0,1,0,0,0,0|2,0,0]=3 189 B4R0.1 CCC(O)O CNP0533578.0 [0,1,0,0,0,0|3,0,0]=4 190 B4R0.1 CCC(O)S CNP0612126.0 [0,1,0,0,0,0|3,0,0]=4 191 B4R0.1 CC[C@@H](C)O CNP0577352.1 [0,1,0,0,0,0|2,0,0]=3 192 B4R0.1 CC[C@@H](C)S CNP0572211.1 [0,1,0,0,0,0|2,0,0]=3 193 B4R0.1 CC[C@H](C)O CNP0577352.2 [0,1,0,0,0,0|2,0,0]=3 194 B4R0.1 CN(C)C=O CNP0566193.0 [0,1,0,0,0,0|0,0,1]=2 195 B4R0.1 CN(C)C=S CNP0516551.0 [0,1,0,0,0,0|0,0,1]=2 196 B4R0.1 CN(C)N=O CNP0503536.0 [0,1,0,0,0,0|1,0,0]=2 197 B4R0.1 CN(N)C=O CNP0593819.0 [0,1,0,0,0,0|1,0,1]=3 198 B4R0.1 CN(O)C=S CNP0483835.0 [0,1,0,0,0,0|1,0,1]=3 199 B4R0.1 CN=C(N)N CNP0588415.0 [0,1,0,0,0,0|3,0,0]=4 200 B4R0.1 CNC(=N)N CNP0590894.0 [0,1,0,0,0,0|3,0,0]=4 201 B4R0.1 CNC(=O)C CNP0491397.0 [0,1,0,0,0,0|2,0,0]=3 202 B4R0.1 CNC(=O)N CNP0576116.0 [0,1,0,0,0,0|3,0,0]=4 203 B4R0.1 CNC(=O)O CNP0594440.0 [0,1,0,0,0,0|3,0,0]=4 204 B4R0.1 CNC(=S)N CNP0572685.0 [0,1,0,0,0,0|3,0,0]=4 205 B4R0.1 CNC(=S)S CNP0524147.0 [0,1,0,0,0,0|3,0,0]=4 206 B4R0.1 CNC(C)C CNP0489071.0 [0,1,0,0,0,0|1,0,0]=2 207 B4R0.1 COC(=O)C CNP0578880.0 [0,1,0,0,0,0|2,0,0]=3 208 B4R0.1 COC(=O)N CNP0575874.0 [0,1,0,0,0,0|3,0,0]=4 209 B4R0.1 CSC(=N)N CNP0572889.0 [0,1,0,0,0,0|3,0,0]=4 210 B4R0.1 CSC(=O)C CNP0491622.0 [0,1,0,0,0,0|2,0,0]=3 211 B4R0.1 CSC(C)C CNP0486491.0 [0,1,0,0,0,0|1,0,0]=2 212 B4R0.1 CSC(C)S CNP0497634.0 [0,1,0,0,0,0|2,0,0]=3 213 B4R0.1 CS[S@@+](C)[O-] CNP0525842.1 [0,1,0,0,0,0|2,0,0]=3 214 B4R0.1 CS[S@@H+](C)[O-] CNP0579172.1 [0,1,0,0,0,0|2,0,0]=3 215 B4R0.1 C[C@@H](Cl)CCl CNP0573757.1 [0,1,0,0,0,0|2,0,0]=3 216 B4R0.1 C[C@@H](N)CO CNP0589695.1 [0,1,0,0,0,0|2,0,0]=3 217 B4R0.1 C[C@@H](O)C#N CNP0491457.1 [0,1,0,0,0,0|2,0,1]=4 218 B4R0.1 C[C@@H](O)C=O CNP0482941.1 [0,1,0,0,0,0|2,0,1]=4 219 B4R0.1 C[C@@H](O)CO CNP0522839.2 [0,1,0,0,0,0|2,0,0]=3 220 B4R0.1 C[C@H](N)CO CNP0589695.2 [0,1,0,0,0,0|2,0,0]=3 221 B4R0.1 C[C@H](O)C=O CNP0482941.2 [0,1,0,0,0,0|2,0,1]=4 222 B4R0.1 C[C@H](O)CBr CNP0593715.1 [0,1,0,0,0,0|2,0,0]=3 223 B4R0.1 C[C@H](O)CN CNP0571248.1 [0,1,0,0,0,0|2,0,0]=3 224 B4R0.1 C[C@H](O)CO CNP0522839.1 [0,1,0,0,0,0|2,0,0]=3 225 B4R0.1 C[C](C)C=O CNP0568847.0 [0,1,0,0,0,0|1,0,1]=3 226 B4R0.1 ClCC(Cl)Cl CNP0506621.0 [0,1,0,0,0,0|3,0,0]=4 227 B4R0.1 NC(=O)CCl CNP0572781.0 [0,1,0,0,0,0|3,0,0]=4 228 B4R0.1 NC(=O)CI CNP0573172.0 [0,1,0,0,0,0|3,0,0]=4 229 B4R0.1 NC(=O)CO CNP0610142.0 [0,1,0,0,0,0|3,0,0]=4 230 B4R0.1 NCC(=O)N CNP0542212.0 [0,1,0,0,0,0|3,0,0]=4 231 B4R0.1 NCC(=O)O CNP0563879.0 [0,1,0,0,0,0|3,0,0]=4 232 B4R0.1 NCC(=O)[O] CNP0605168.0 [0,1,0,0,0,0|3,0,0]=4 233 B4R0.1 O=C(Cl)CCl CNP0491057.0 [0,1,0,0,0,0|3,0,0]=4 234 B4R0.1 O=C(Cl)CI CNP0533753.0 [0,1,0,0,0,0|3,0,0]=4 235 B4R0.1 O=C(O)CBr CNP0605480.0 [0,1,0,0,0,0|3,0,0]=4 236 B4R0.1 O=C(O)CCl CNP0514898.0 [0,1,0,0,0,0|3,0,0]=4 237 B4R0.1 O=C(O)CI CNP0542117.0 [0,1,0,0,0,0|3,0,0]=4 238 B4R0.1 O=C(O)CO CNP0564020.0 [0,1,0,0,0,0|3,0,0]=4 239 B4R0.1 O=C(O)CS CNP0502399.0 [0,1,0,0,0,0|3,0,0]=4 240 B4R0.1 OCC(Cl)Cl CNP0479097.0 [0,1,0,0,0,0|3,0,0]=4 241 B4R0.1 O[C@@H](Cl)CBr CNP0538567.1 [0,1,0,0,0,0|3,0,0]=4 242 B4R0.3 CC(C)(C)C CNP0568936.0 [0,1,0,0,0,0|1,0,0]=2 243 B4R0.3 CC(C)(C)O CNP0541010.0 [0,1,0,0,0,0|1,0,0]=2 244 B4R0.3 CC(C)(N)N CNP0611679.0 [0,1,0,0,0,0|2,0,0]=3 245 B4R0.3 CC(Cl)(Cl)Cl CNP0581486.0 [0,1,0,0,0,0|3,0,0]=4 246 B4R0.3 CP(=O)(O)O CNP0605019.0 [0,1,0,0,0,0|2,1,0]=4 247 B4R0.3 CS(=O)(=O)C CNP0605129.0 [0,1,0,0,0,0|2,0,0]=3 248 B4R0.3 CS(=O)(=O)Cl CNP0595350.0 [0,1,0,0,0,0|3,0,0]=4 249 B4R0.3 CS(=O)(=O)O CNP0491438.0 [0,1,0,0,0,0|3,0,0]=4 250 B4R0.3 CS(=O)(=O)S CNP0506131.0 [0,1,0,0,0,0|3,0,0]=4 251 B4R0.3 CS(=S)(C)O CNP0608926.0 [0,1,0,0,0,0|2,0,0]=3 252 B4R0.3 C[As+](C)(C)C CNP0594598.0 [0,1,0,0,0,0|0,1,0]=2 253 B4R0.3 C[As](=O)(C)O CNP0492406.0 [0,1,0,0,0,0|1,1,0]=3 254 B4R0.3 C[As](=O)(O)O CNP0536186.0 [0,1,0,0,0,0|2,1,0]=4 255 B4R0.3 C[N+](C)(C)C CNP0519180.0 [0,1,0,0,0,0|0,0,1]=2 256 B4R0.3 C[N+](C)(C)C CNP0559650.0 [0,1,0,0,0,0|0,0,1]=2 257 B4R0.3 C[N+](C)(C)O CNP0585867.0 [0,1,0,0,0,0|0,0,1]=2 258 B4R0.3 C[N+](C)(C)[O-] CNP0598895.0 [0,1,0,0,0,0|0,0,1]=2 259 B4R0.3 C[Si](C)(C)Cl CNP0530881.0 [0,1,0,0,0,0|1,0,0]=2 260 B4R0.3 C[Si](C)(C)O CNP0575582.0 [0,1,0,0,0,0|1,0,0]=2 261 B4R0.3 C[Si](C)(O)O CNP0563438.0 [0,1,0,0,0,0|2,0,0]=3 262 B4R1.2 CC1=CC1 CNP0610335.0 [0,0,0,1,0,0|1,0,1]=3 263 B4R1.2 CC1CC1 CNP0597751.0 [0,0,0,1,0,0|1,0,0]=2 264 B4R1.2 CC1CN1 CNP0565195.0 [0,0,0,1,0,0|2,0,0]=3 265 B4R1.2 CC1CO1 CNP0586888.0 [0,0,0,1,0,0|2,0,0]=3 266 B4R1.2 CC1CS1 CNP0482664.0 [0,0,0,1,0,0|2,0,0]=3 267 B4R1.2 C[C@H]1CS1 CNP0482664.1 [0,0,0,1,0,0|2,0,0]=3 268 B4R1.2 NC1CC1 CNP0519928.0 [0,0,0,1,0,0|2,0,0]=3 269 B1R0.1 BrBr CNP0505236.0 [2,0,0,0,0,0|2,0,0]=4 270 B1R0.1 C#C CNP0511228.0 [2,0,0,0,0,0|0,0,2]=4 271 B1R0.1 C#N CNP0572559.0 [2,0,0,0,0,0|0,0,2]=4 272 B1R0.1 C=C CNP0492509.0 [2,0,0,0,0,0|0,0,2]=4 273 B1R0.1 C=O CNP0577301.0 [2,0,0,0,0,0|1,0,1]=4 274 B1R0.1 CBr CNP0579982.0 [2,0,0,0,0,0|1,0,0]=3 275 B1R0.1 CC CNP0522070.0 [2,0,0,0,0,0|0,0,0]=2 276 B1R0.1 CCl CNP0532980.0 [2,0,0,0,0,0|1,0,0]=3 277 B1R0.1 CI CNP0504070.0 [2,0,0,0,0,0|1,0,0]=3 278 B1R0.1 CN CNP0593707.0 [2,0,0,0,0,0|0,0,0]=2 279 B1R0.1 CO CNP0534529.0 [2,0,0,0,0,0|1,0,0]=3 280 B1R0.1 CS CNP0491451.0 [2,0,0,0,0,0|1,0,0]=3 281 B1R0.1 C[Hg+] CNP0514433.0 [2,0,0,0,0,0|1,0,0]=3 282 B1R0.1 C[O] CNP0524894.0 [2,0,0,0,0,0|1,0,0]=3 283 B1R0.1 C[SeH] CNP0480708.0 [2,0,0,0,0,0|1,0,0]=3 284 B1R0.1 ClCl CNP0564417.0 [2,0,0,0,0,0|2,0,0]=4 285 B1R0.1 Cl[TlH2] CNP0576412.0 [2,0,0,0,0,0|2,0,0]=4 286 B1R0.1 II CNP0513028.0 [2,0,0,0,0,0|2,0,0]=4 287 B1R0.1 I[Hg] CNP0548877.0 [2,0,0,0,0,0|2,0,0]=4 288 B1R0.1 N#N CNP0491045.0 [2,0,0,0,0,0|1,0,1]=4 289 B1R0.1 N=O CNP0597172.0 [2,0,0,0,0,0|1,0,1]=4 290 B1R0.1 NN CNP0568901.0 [2,0,0,0,0,0|1,0,0]=3 291 B1R0.1 NO CNP0583127.0 [2,0,0,0,0,0|1,0,0]=3 292 B1R0.1 O=O CNP0554563.0 [2,0,0,0,0,0|2,0,0]=4 293 B1R0.1 O=[Ca] CNP0479999.0 [2,0,0,0,0,0|2,0,0]=4 294 B1R0.1 O=[Fe] CNP0507758.0 [2,0,0,0,0,0|2,0,0]=4 295 B1R0.1 O=[Mg] CNP0534533.0 [2,0,0,0,0,0|2,0,0]=4 296 B1R0.1 O=[Zn] CNP0524985.0 [2,0,0,0,0,0|2,0,0]=4 297 B1R0.1 OCl CNP0592985.0 [2,0,0,0,0,0|2,0,0]=4 298 B1R0.1 OO CNP0525256.0 [2,0,0,0,0,0|2,0,0]=4 299 B1R0.1 O[SiH3] CNP0519560.0 [2,0,0,0,0,0|1,1,0]=4 300 B1R0.1 PP CNP0509731.0 [2,0,0,0,0,0|1,1,0]=4 301 B1R0.1 S=S CNP0549656.0 [2,0,0,0,0,0|2,0,0]=4 302 B1R0.1 S=[AsH] CNP0538289.0 [2,0,0,0,0,0|1,1,0]=4 303 B1R0.1 S=[Cd] CNP0560564.0 [2,0,0,0,0,0|2,0,0]=4 304 B1R0.1 S=[Hg] CNP0507503.0 [2,0,0,0,0,0|2,0,0]=4 305 B1R0.1 SS CNP0553258.0 [2,0,0,0,0,0|2,0,0]=4 306 B1R0.1 S[AsH2] CNP0561326.0 [2,0,0,0,0,0|1,1,0]=4 307 B1R0.1 S[As] CNP0546534.0 [2,0,0,0,0,0|1,1,0]=4 308 B1R0.1 [13CH]#[15N] CNP0538679.0 [2,0,0,0,0,0|0,0,2]=4 309 B1R0.1 [C-]#[O+] CNP0572564.0 [2,0,0,0,0,0|1,0,1]=4 310 B1R0.1 [Cu]I CNP0592352.0 [2,0,0,0,0,0|2,0,0]=4 311 B1R0.1 [K]Br CNP0506686.0 [2,0,0,0,0,0|2,0,0]=4 312 B1R0.1 [NH3+][O-] CNP0579672.0 [2,0,0,0,0,0|1,0,1]=4 313 B1R0.1 [N]=O CNP0547371.0 [2,0,0,0,0,0|1,0,1]=4 314 B1R0.1 [O]O CNP0532421.0 [2,0,0,0,0,0|2,0,0]=4 315 B1R0.1 [Se]=[Se] CNP0539243.0 [2,0,0,0,0,0|2,0,0]=4 316 B3R0.1 BrCCBr CNP0591557.0 [1,1,0,0,0,0|2,0,0]=4 317 B3R0.1 BrCCI CNP0495630.0 [1,1,0,0,0,0|2,0,0]=4 318 B3R0.1 C#CCC CNP0509561.0 [1,1,0,0,0,0|1,0,1]=4 319 B3R0.1 C#CCO CNP0488604.0 [1,1,0,0,0,0|1,0,1]=4 320 B3R0.1 C#[N+]CC CNP0559170.0 [1,1,0,0,0,0|0,0,2]=4 321 B3R0.1 C=C=CC CNP0584937.0 [1,1,0,0,0,0|1,0,1]=4 322 B3R0.1 C=CCC CNP0490956.0 [1,1,0,0,0,0|1,0,1]=4 323 B3R0.1 C=CCN CNP0585503.0 [1,1,0,0,0,0|1,0,1]=4 324 B3R0.1 C=CCO CNP0561492.0 [1,1,0,0,0,0|1,0,1]=4 325 B3R0.1 C=CCS CNP0575677.0 [1,1,0,0,0,0|1,0,1]=4 326 B3R0.1 C=COC CNP0611794.0 [1,1,0,0,0,0|1,0,1]=4 327 B3R0.1 CC#CC CNP0556029.0 [1,1,0,0,0,0|1,0,0]=3 328 B3R0.1 CC=CBr CNP0509639.0 [1,1,0,0,0,0|1,0,1]=4 329 B3R0.1 CC=CC CNP0597271.0 [1,1,0,0,0,0|1,0,0]=3 330 B3R0.1 CC=CS CNP0589530.0 [1,1,0,0,0,0|1,0,1]=4 331 B3R0.1 CC=NO CNP0512137.0 [1,1,0,0,0,0|1,0,1]=4 332 B3R0.1 CC=[N+]=[N-] CNP0532727.0 [1,1,0,0,0,0|1,0,1]=4 333 B3R0.1 CCC#N CNP0564998.0 [1,1,0,0,0,0|1,0,1]=4 334 B3R0.1 CCC=O CNP0570013.0 [1,1,0,0,0,0|1,0,1]=4 335 B3R0.1 CCC=S CNP0546828.0 [1,1,0,0,0,0|1,0,1]=4 336 B3R0.1 CCCBr CNP0561445.0 [1,1,0,0,0,0|1,0,0]=3 337 B3R0.1 CCCC CNP0597736.0 [1,1,0,0,0,0|1,0,0]=3 338 B3R0.1 CCCI CNP0596010.0 [1,1,0,0,0,0|1,0,0]=3 339 B3R0.1 CCCN CNP0600530.0 [1,1,0,0,0,0|1,0,0]=3 340 B3R0.1 CCCO CNP0605151.0 [1,1,0,0,0,0|1,0,0]=3 341 B3R0.1 CCCS CNP0572992.0 [1,1,0,0,0,0|1,0,0]=3 342 B3R0.1 CCN=O CNP0552947.0 [1,1,0,0,0,0|1,0,1]=4 343 B3R0.1 CCNC CNP0563252.0 [1,1,0,0,0,0|0,0,0]=2 344 B3R0.1 CCOC CNP0484105.0 [1,1,0,0,0,0|1,0,0]=3 345 B3R0.1 CCOO CNP0591807.0 [1,1,0,0,0,0|2,0,0]=4 346 B3R0.1 CCSC CNP0596541.0 [1,1,0,0,0,0|1,0,0]=3 347 B3R0.1 CCSO CNP0559716.0 [1,1,0,0,0,0|2,0,0]=4 348 B3R0.1 CN=C=O CNP0542197.0 [1,1,0,0,0,0|0,0,2]=4 349 B3R0.1 CN=C=S CNP0601890.0 [1,1,0,0,0,0|0,0,2]=4 350 B3R0.1 CNC=O CNP0565671.0 [1,1,0,0,0,0|0,0,1]=3 351 B3R0.1 CNNC CNP0493834.0 [1,1,0,0,0,0|0,0,0]=2 352 B3R0.1 COC=O CNP0494242.0 [1,1,0,0,0,0|1,0,1]=4 353 B3R0.1 COOC CNP0610139.0 [1,1,0,0,0,0|1,0,0]=3 354 B3R0.1 CSC#N CNP0493602.0 [1,1,0,0,0,0|1,0,1]=4 355 B3R0.1 CSSC CNP0600942.0 [1,1,0,0,0,0|1,0,0]=3 356 B3R0.1 C[Se][Se]C CNP0508246.0 [1,1,0,0,0,0|1,0,0]=3 357 B3R0.1 ClCCBr CNP0493040.0 [1,1,0,0,0,0|2,0,0]=4 358 B3R0.1 ClCCCl CNP0592018.0 [1,1,0,0,0,0|2,0,0]=4 359 B3R0.1 N#CCI CNP0547629.0 [1,1,0,0,0,0|2,0,0]=4 360 B3R0.1 N#CCS CNP0566385.0 [1,1,0,0,0,0|2,0,0]=4 361 B3R0.1 N=CCN CNP0547283.0 [1,1,0,0,0,0|2,0,0]=4 362 B3R0.1 NCC=O CNP0566697.0 [1,1,0,0,0,0|2,0,0]=4 363 B3R0.1 NCCN CNP0531974.0 [1,1,0,0,0,0|2,0,0]=4 364 B3R0.1 NCCO CNP0581653.0 [1,1,0,0,0,0|2,0,0]=4 365 B3R0.1 NCCS CNP0490978.0 [1,1,0,0,0,0|2,0,0]=4 366 B3R0.1 NCC[O] CNP0586934.0 [1,1,0,0,0,0|2,0,0]=4 367 B3R0.1 NNC=O CNP0501881.0 [1,1,0,0,0,0|1,0,1]=4 368 B3R0.1 O=CCBr CNP0516788.0 [1,1,0,0,0,0|2,0,0]=4 369 B3R0.1 O=CCO CNP0600524.0 [1,1,0,0,0,0|2,0,0]=4 370 B3R0.1 O=CCS CNP0591045.0 [1,1,0,0,0,0|2,0,0]=4 371 B3R0.1 OCCCl CNP0532317.0 [1,1,0,0,0,0|2,0,0]=4 372 B3R0.1 OCCI CNP0489668.0 [1,1,0,0,0,0|2,0,0]=4 373 B3R0.1 OCCO CNP0484938.0 [1,1,0,0,0,0|2,0,0]=4 374 B3R0.1 OCCS CNP0576505.0 [1,1,0,0,0,0|2,0,0]=4 375 B3R0.1 SCCS CNP0506336.0 [1,1,0,0,0,0|2,0,0]=4 376 B5R0.1 C=C(C)C=CC CNP0348667.0 [0,2,0,0,0,0|1,0,1]=4 377 B5R0.1 C=C(C)CCC CNP0179329.0 [0,2,0,0,0,0|1,0,1]=4 378 B5R0.1 C=C(C)CCO CNP0285127.0 [0,2,0,0,0,0|1,0,1]=4 379 B5R0.1 C=CC=C(C)C CNP0130651.0 [0,2,0,0,0,0|1,0,1]=4 380 B5R0.1 C=CCC(=O)C CNP0385825.0 [0,2,0,0,0,0|2,0,0]=4 381 B5R0.1 C=CCC(C)C CNP0293683.0 [0,2,0,0,0,0|1,0,0]=3 382 B5R0.1 C=CCC(C)O CNP0594112.0 [0,2,0,0,0,0|2,0,0]=4 383 B5R0.1 C=CC[S@+](C)[O-] CNP0483153.2 [0,2,0,0,0,0|2,0,0]=4 384 B5R0.1 C=CC[S@@+](C)[O-] CNP0483153.1 [0,2,0,0,0,0|2,0,0]=4 385 B5R0.1 C=COC(C)C CNP0491165.0 [0,2,0,0,0,0|1,0,1]=4 386 B5R0.1 CC(=CC#N)C CNP0294715.0 [0,2,0,0,0,0|1,0,1]=4 387 B5R0.1 CC(=CC=O)C CNP0325416.0 [0,2,0,0,0,0|1,0,1]=4 388 B5R0.1 CC(=CCO)C CNP0241702.0 [0,2,0,0,0,0|1,0,0]=3 389 B5R0.1 CC(=CCS)C CNP0262600.0 [0,2,0,0,0,0|1,0,0]=3 390 B5R0.1 CC(=O)CCO CNP0251527.0 [0,2,0,0,0,0|2,0,0]=4 391 B5R0.1 CC(=O)CCS CNP0404753.0 [0,2,0,0,0,0|2,0,0]=4 392 B5R0.1 CC(=O)OCS CNP0547679.0 [0,2,0,0,0,0|2,0,0]=4 393 B5R0.1 CC(C)C=CO CNP0546358.0 [0,2,0,0,0,0|1,0,1]=4 394 B5R0.1 CC(C)C=NO CNP0180575.0 [0,2,0,0,0,0|1,0,1]=4 395 B5R0.1 CC(C)CC#N CNP0003467.0 [0,2,0,0,0,0|1,0,0]=3 396 B5R0.1 CC(C)CC=O CNP0200023.0 [0,2,0,0,0,0|1,0,0]=3 397 B5R0.1 CC(C)CCN CNP0107663.0 [0,2,0,0,0,0|1,0,0]=3 398 B5R0.1 CC(C)CCO CNP0115711.0 [0,2,0,0,0,0|1,0,0]=3 399 B5R0.1 CC(C)CCS CNP0222694.0 [0,2,0,0,0,0|1,0,0]=3 400 B5R0.1 CC(C)CNO CNP0343206.0 [0,2,0,0,0,0|1,0,0]=3 401 B5R0.1 CC(C)N=C=O CNP0495487.0 [0,2,0,0,0,0|1,0,1]=4 402 B5R0.1 CC(C)N=C=S CNP0332549.0 [0,2,0,0,0,0|1,0,1]=4 403 B5R0.1 CC(C)OC=O CNP0079775.0 [0,2,0,0,0,0|1,0,1]=4 404 B5R0.1 CC(C)ON=N CNP0504626.0 [0,2,0,0,0,0|2,0,0]=4 405 B5R0.1 CC(O)CCS CNP0002409.0 [0,2,0,0,0,0|2,0,0]=4 406 B5R0.1 CC(S)CCS CNP0003105.0 [0,2,0,0,0,0|2,0,0]=4 407 B5R0.1 CC=CC(=O)C CNP0158055.0 [0,2,0,0,0,0|2,0,0]=4 408 B5R0.1 CC=CC(C)C CNP0513218.0 [0,2,0,0,0,0|1,0,0]=3 409 B5R0.1 CC=CC(C)O CNP0150168.0 [0,2,0,0,0,0|2,0,0]=4 410 B5R0.1 CCC=C(C)C CNP0331653.0 [0,2,0,0,0,0|1,0,0]=3 411 B5R0.1 CCC=C(C)O CNP0225775.0 [0,2,0,0,0,0|2,0,0]=4 412 B5R0.1 CCCC(=O)C CNP0169448.0 [0,2,0,0,0,0|2,0,0]=4 413 B5R0.1 CCCC(C)C CNP0319065.0 [0,2,0,0,0,0|1,0,0]=3 414 B5R0.1 CCCC(C)S CNP0029638.0 [0,2,0,0,0,0|2,0,0]=4 415 B5R0.1 CCC[C@@H](C)O CNP0287976.1 [0,2,0,0,0,0|2,0,0]=4 416 B5R0.1 CCC[C@H](C)O CNP0287976.2 [0,2,0,0,0,0|2,0,0]=4 417 B5R0.1 CCNC(=O)C CNP0260078.0 [0,2,0,0,0,0|2,0,0]=4 418 B5R0.1 CCOC(=O)C CNP0322418.0 [0,2,0,0,0,0|2,0,0]=4 419 B5R0.1 CCOC(C)C CNP0604172.0 [0,2,0,0,0,0|1,0,0]=3 420 B5R0.1 CCO[13C](=O)C CNP0577601.0 [0,2,0,0,0,0|2,0,0]=4 421 B5R0.1 CCSC(=O)C CNP0274861.0 [0,2,0,0,0,0|2,0,0]=4 422 B5R0.1 CCSC(C)C CNP0254931.0 [0,2,0,0,0,0|1,0,0]=3 423 B5R0.1 CCSC(C)S CNP0579398.0 [0,2,0,0,0,0|2,0,0]=4 424 B5R0.1 CN(C)CC#N CNP0084986.0 [0,2,0,0,0,0|0,0,0]=2 425 B5R0.1 CN(C)CCCl CNP0328789.0 [0,2,0,0,0,0|0,0,0]=2 426 B5R0.1 CN(C)CCO CNP0230038.0 [0,2,0,0,0,0|0,0,0]=2 427 B5R0.1 CN=CC(C)C CNP0149349.0 [0,2,0,0,0,0|1,0,0]=3 428 B5R0.1 CNCC(C)C CNP0273998.0 [0,2,0,0,0,0|1,0,0]=3 429 B5R0.1 COCC(=O)C CNP0581024.0 [0,2,0,0,0,0|2,0,0]=4 430 B5R0.1 COCC(C)C CNP0528468.0 [0,2,0,0,0,0|1,0,0]=3 431 B5R0.1 CSCC(=O)C CNP0002513.0 [0,2,0,0,0,0|2,0,0]=4 432 B5R0.1 CSCC(C)C CNP0405087.0 [0,2,0,0,0,0|1,0,0]=3 433 B5R0.1 CSC[S@+](C)[O-] CNP0604118.1 [0,2,0,0,0,0|2,0,0]=4 434 B5R0.1 CSSC(C)C CNP0267830.0 [0,2,0,0,0,0|1,0,0]=3 435 B5R0.1 C[C@@H](O)CC#N CNP0115714.1 [0,2,0,0,0,0|2,0,0]=4 436 B5R0.1 C[C@@H](O)CC=O CNP0197470.1 [0,2,0,0,0,0|2,0,0]=4 437 B5R0.1 C[C@@H](O)CCO CNP0110972.2 [0,2,0,0,0,0|2,0,0]=4 438 B5R0.1 C[C@H](O)CCO CNP0110972.1 [0,2,0,0,0,0|2,0,0]=4 439 B5R0.1 C[N+](=NCO)[O-] CNP0075707.0 [0,2,0,0,0,0|1,0,1]=4 440 B5R0.3 C=CC(=CC)C CNP0134384.0 [0,2,0,0,0,0|1,0,1]=4 441 B5R0.3 C=C[C@H](C)CO CNP0600503.1 [0,2,0,0,0,0|1,0,1]=4 442 B5R0.3 CC(=NO)CO CNP0284253.0 [0,2,0,0,0,0|2,0,0]=4 443 B5R0.3 CC(CO)CO CNP0282467.0 [0,2,0,0,0,0|1,0,0]=3 444 B5R0.3 CC=C(C)C=O CNP0281160.0 [0,2,0,0,0,0|1,0,1]=4 445 B5R0.3 CC=C(C)CC CNP0247687.0 [0,2,0,0,0,0|1,0,0]=3 446 B5R0.3 CC=C(C)CO CNP0120418.0 [0,2,0,0,0,0|1,0,0]=3 447 B5R0.3 CCC(=CS)C CNP0025997.0 [0,2,0,0,0,0|1,0,1]=4 448 B5R0.3 CCC(=O)CC CNP0270305.0 [0,2,0,0,0,0|2,0,0]=4 449 B5R0.3 CCC(=O)CO CNP0165007.0 [0,2,0,0,0,0|2,0,0]=4 450 B5R0.3 CCC(=O)OC CNP0166631.0 [0,2,0,0,0,0|2,0,0]=4 451 B5R0.3 CCC(=O)SC CNP0240172.0 [0,2,0,0,0,0|2,0,0]=4 452 B5R0.3 CCC(C)CC CNP0316485.0 [0,2,0,0,0,0|1,0,0]=3 453 B5R0.3 CCC(C)CS CNP0003009.0 [0,2,0,0,0,0|1,0,0]=3 454 B5R0.3 CCC(N)CC CNP0103985.0 [0,2,0,0,0,0|2,0,0]=4 455 B5R0.3 CCC(N)NC CNP0278870.0 [0,2,0,0,0,0|2,0,0]=4 456 B5R0.3 CCC(O)CC CNP0293075.0 [0,2,0,0,0,0|2,0,0]=4 457 B5R0.3 CCC(O)CCl CNP0366953.0 [0,2,0,0,0,0|2,0,0]=4 458 B5R0.3 CCC(O)CO CNP0534149.0 [0,2,0,0,0,0|2,0,0]=4 459 B5R0.3 CCC(S)CS CNP0197461.0 [0,2,0,0,0,0|2,0,0]=4 460 B5R0.3 CCC(S)SC CNP0609154.0 [0,2,0,0,0,0|2,0,0]=4 461 B5R0.3 CC[C@@H](C)C=O CNP0220551.2 [0,2,0,0,0,0|1,0,1]=4 462 B5R0.3 CC[C@@H](C)CO CNP0185673.1 [0,2,0,0,0,0|1,0,0]=3 463 B5R0.3 CC[C@H](C)C#N CNP0343114.1 [0,2,0,0,0,0|1,0,1]=4 464 B5R0.3 CC[C@H](C)C=O CNP0220551.1 [0,2,0,0,0,0|1,0,1]=4 465 B5R0.3 CC[C@H](C)CN CNP0233909.1 [0,2,0,0,0,0|1,0,0]=3 466 B5R0.3 CC[C@H](C)CO CNP0185673.2 [0,2,0,0,0,0|1,0,0]=3 467 B5R0.3 CC[C@H](C)NC CNP0236959.1 [0,2,0,0,0,0|1,0,0]=3 468 B5R0.3 CC[S+](C)CC CNP0038064.0 [0,2,0,0,0,0|1,0,0]=3 469 B5R0.3 CC[S](C)CC CNP0523180.0 [0,2,0,0,0,0|1,0,0]=3 470 B5R0.3 CN(C=O)CO CNP0412364.0 [0,2,0,0,0,0|0,0,1]=3 471 B5R0.3 CNC(=N)NC CNP0404528.0 [0,2,0,0,0,0|2,0,0]=4 472 B5R0.3 CNC(=O)NC CNP0028412.0 [0,2,0,0,0,0|2,0,0]=4 473 B5R0.3 CNC(=O)OC CNP0483114.0 [0,2,0,0,0,0|2,0,0]=4 474 B5R0.3 COC(=O)CI CNP0017842.0 [0,2,0,0,0,0|2,0,0]=4 475 B5R0.3 COC(C)CO CNP0485411.0 [0,2,0,0,0,0|1,0,0]=3 476 B5R0.3 COC(C)OC CNP0122626.0 [0,2,0,0,0,0|1,0,0]=3 477 B5R0.3 CSC(C)SC CNP0610569.0 [0,2,0,0,0,0|1,0,0]=3 478 B5R0.3 ClCC(Cl)CCl CNP0159084.0 [0,2,0,0,0,0|2,0,0]=4 479 B5R0.3 NC(CO)CO CNP0535001.0 [0,2,0,0,0,0|2,0,0]=4 480 B5R0.3 O=C(CBr)CBr CNP0132836.0 [0,2,0,0,0,0|2,0,0]=4 481 B5R0.3 O=C(CBr)CI CNP0145168.0 [0,2,0,0,0,0|2,0,0]=4 482 B5R0.3 O=C(CCl)CBr CNP0149884.0 [0,2,0,0,0,0|2,0,0]=4 483 B5R0.3 O=C(CCl)CCl CNP0301990.0 [0,2,0,0,0,0|2,0,0]=4 484 B5R0.3 O=C(CCl)CI CNP0408833.0 [0,2,0,0,0,0|2,0,0]=4 485 B5R0.3 O=C(CO)CCl CNP0281226.0 [0,2,0,0,0,0|2,0,0]=4 486 B5R0.3 O=C(CO)CO CNP0303926.0 [0,2,0,0,0,0|2,0,0]=4 487 B5R0.3 OC(CBr)CBr CNP0017512.0 [0,2,0,0,0,0|2,0,0]=4 488 B5R0.3 OC(CCl)CCl CNP0294183.0 [0,2,0,0,0,0|2,0,0]=4 489 B5R0.3 OC(CI)CI CNP0161531.0 [0,2,0,0,0,0|2,0,0]=4 490 B5R0.3 OC(CP)CP CNP0345632.0 [0,2,0,0,0,0|2,0,0]=4 491 B5R0.3 OCC(O)CCl CNP0334066.0 [0,2,0,0,0,0|2,0,0]=4 492 B5R0.3 OCC(O)CO CNP0259986.0 [0,2,0,0,0,0|2,0,0]=4 493 B5R0.3 OC[C@@H](O)CS CNP0570311.1 [0,2,0,0,0,0|2,0,0]=4 494 B5R0.3 OC[C@@H](S)CS CNP0341544.1 [0,2,0,0,0,0|2,0,0]=4 495 B5R0.3 OC[C@H](O)CI CNP0103876.1 [0,2,0,0,0,0|2,0,0]=4 496 B5R0.3 OC[C@H](S)CS CNP0341544.2 [0,2,0,0,0,0|2,0,0]=4 497 B5R0.3 O[C@@H](CCl)CI CNP0018029.1 [0,2,0,0,0,0|2,0,0]=4 498 B5R0.3 PCC(P)CP CNP0345634.0 [0,2,0,0,0,0|2,0,0]=4 499 B5R0.3 [O]CC(=O)CCl CNP0505790.0 [0,2,0,0,0,0|2,0,0]=4 500 B5R0.4 C#CC(C)(C)O CNP0277501.0 [0,2,0,0,0,0|1,0,1]=4 501 B5R0.4 C=CC(C)(C)O CNP0337361.0 [0,2,0,0,0,0|1,0,1]=4 502 B5R0.4 C=C[N+](C)(C)C CNP0076784.0 [0,2,0,0,0,0|0,0,1]=3 503 B5R0.4 C=C[N+](C)(C)C CNP0591850.0 [0,2,0,0,0,0|0,0,1]=3 504 B5R0.4 CC(C)(C)C=O CNP0320383.0 [0,2,0,0,0,0|1,0,0]=3 505 B5R0.4 CC(C)(C)N=O CNP0030824.0 [0,2,0,0,0,0|1,0,0]=3 506 B5R0.4 CC(C)(C)OO CNP0609042.0 [0,2,0,0,0,0|1,0,0]=3 507 B5R0.4 CC(C)(O)C#N CNP0157587.0 [0,2,0,0,0,0|1,0,1]=4 508 B5R0.4 CC(C)(O)C=O CNP0300882.0 [0,2,0,0,0,0|1,0,1]=4 509 B5R0.4 CC(C)(O)CN CNP0332905.0 [0,2,0,0,0,0|1,0,0]=3 510 B5R0.4 CC(C)(O)CO CNP0307478.0 [0,2,0,0,0,0|1,0,0]=3 511 B5R0.4 CC(C)(S)CS CNP0258725.0 [0,2,0,0,0,0|1,0,0]=3 512 B5R0.4 CCC(C)(C)C CNP0113159.0 [0,2,0,0,0,0|1,0,0]=3 513 B5R0.4 CCC(C)(C)I CNP0076730.0 [0,2,0,0,0,0|1,0,0]=3 514 B5R0.4 CCC(C)(C)N CNP0083061.0 [0,2,0,0,0,0|1,0,0]=3 515 B5R0.4 CCC(C)(C)O CNP0239239.0 [0,2,0,0,0,0|1,0,0]=3 516 B5R0.4 CC[Si](C)(C)C CNP0572818.0 [0,2,0,0,0,0|1,0,0]=3 517 B5R0.4 COC(C)(C)C CNP0379426.0 [0,2,0,0,0,0|1,0,0]=3 518 B5R0.4 COS(=O)(=O)C CNP0336702.0 [0,2,0,0,0,0|2,0,0]=4 519 B5R0.4 CO[As](=O)(C)C CNP0017834.0 [0,2,0,0,0,0|0,1,0]=3 520 B5R0.4 CP(=O)(C)CO CNP0140331.0 [0,2,0,0,0,0|0,1,0]=3 521 B5R0.4 CSS(=O)(=O)C CNP0305173.0 [0,2,0,0,0,0|2,0,0]=4 522 B5R0.5 C=C(C)C(=C)C CNP0186706.0 [0,2,0,0,0,0|1,0,1]=4 523 B5R0.5 C=C(C)C(=O)C CNP0137327.0 [0,2,0,0,0,0|1,0,1]=4 524 B5R0.5 C=C(C)[C@@H](C)O CNP0221154.1 [0,2,0,0,0,0|1,0,1]=4 525 B5R0.5 C=C(C)[C@H](C)O CNP0221154.2 [0,2,0,0,0,0|1,0,1]=4 526 B5R0.5 C=C(O)C(C)C CNP0150035.0 [0,2,0,0,0,0|1,0,1]=4 527 B5R0.5 CC(=C(C)C)C CNP0192659.0 [0,2,0,0,0,0|1,0,0]=3 528 B5R0.5 CC(=C(C)O)C CNP0164530.0 [0,2,0,0,0,0|1,0,0]=3 529 B5R0.5 CC(=O)C(=O)C CNP0153215.0 [0,2,0,0,0,0|2,0,0]=4 530 B5R0.5 CC(=O)C(Br)Br CNP0186139.0 [0,2,0,0,0,0|2,0,0]=4 531 B5R0.5 CC(=O)C(C)C CNP0209504.0 [0,2,0,0,0,0|1,0,0]=3 532 B5R0.5 CC(=O)C(C)S CNP0409589.0 [0,2,0,0,0,0|2,0,0]=4 533 B5R0.5 CC(=O)C(O)O CNP0547141.0 [0,2,0,0,0,0|2,0,0]=4 534 B5R0.5 CC(=O)N(C)C CNP0083052.0 [0,2,0,0,0,0|0,0,0]=2 535 B5R0.5 CC(=O)[C@@H](C)O CNP0395416.2 [0,2,0,0,0,0|2,0,0]=4 536 B5R0.5 CC(=O)[C@H](C)O CNP0395416.1 [0,2,0,0,0,0|2,0,0]=4 537 B5R0.5 CC(C)C(=O)Cl CNP0337045.0 [0,2,0,0,0,0|1,0,1]=4 538 B5R0.5 CC(C)C(=O)N CNP0226996.0 [0,2,0,0,0,0|1,0,1]=4 539 B5R0.5 CC(C)C(=O)O CNP0197560.0 [0,2,0,0,0,0|1,0,1]=4 540 B5R0.5 CC(C)C(C)C CNP0183010.0 [0,2,0,0,0,0|1,0,0]=3 541 B5R0.5 CC(C)N(C)C CNP0419243.0 [0,2,0,0,0,0|0,0,0]=2 542 B5R0.5 CC(C)[C@@H](C)N CNP0573557.1 [0,2,0,0,0,0|1,0,0]=3 543 B5R0.5 CC(C)[C@@H](C)O CNP0315380.1 [0,2,0,0,0,0|1,0,0]=3 544 B5R0.5 CC(C)[C@@H](C)S CNP0316317.1 [0,2,0,0,0,0|1,0,0]=3 545 B5R0.5 CC(C)[C@H](C)O CNP0315380.2 [0,2,0,0,0,0|1,0,0]=3 546 B5R0.5 CC(C)[N+](=O)[O-] CNP0587963.0 [0,2,0,0,0,0|2,0,0]=4 547 B5R0.5 CC(O)C(C)S CNP0002511.0 [0,2,0,0,0,0|2,0,0]=4 548 B5R0.5 CC(S)C(C)S CNP0003531.0 [0,2,0,0,0,0|2,0,0]=4 549 B5R0.5 CN(C)C(=N)N CNP0155822.0 [0,2,0,0,0,0|0,0,1]=3 550 B5R0.5 CN(C)C(=S)S CNP0033815.0 [0,2,0,0,0,0|0,0,1]=3 551 B5R0.5 C[C@@H](O)[C@@H](C)O CNP0115674.2 [0,2,0,0,0,0|2,0,0]=4 552 B5R0.5 C[C@H](O)C(Br)Br CNP0106114.1 [0,2,0,0,0,0|2,0,0]=4 553 B5R0.5 C[C@H](O)[C@@H](C)O CNP0115674.1 [0,2,0,0,0,0|2,0,0]=4 554 B5R0.5 C[C@H](O)[C@H](C)O CNP0115674.3 [0,2,0,0,0,0|2,0,0]=4 555 B5R0.6 C[As](C)(C)(C)Br CNP0416858.0 [0,2,0,0,0,0|0,1,0]=3 556 B3R1.1 C1CC1 CNP0541531.0 [1,0,0,1,0,0|1,0,0]=3 557 B3R1.1 C1CN1 CNP0581365.0 [1,0,0,1,0,0|0,0,0]=2 558 B3R1.1 C1CO1 CNP0573142.0 [1,0,0,1,0,0|1,0,0]=3 559 B5R1.2 CC1CCC1 CNP0546383.0 [0,1,0,1,0,0|1,0,0]=3 560 B5R1.2 NC1CCC1 CNP0609061.0 [0,1,0,1,0,0|2,0,0]=4 561 B5R1.2 O=C1CCO1 CNP0555602.0 [0,1,0,1,0,0|2,0,0]=4 562 B5R1.2 OC1CCC1 CNP0562500.0 [0,1,0,1,0,0|2,0,0]=4 563 B5R1.2 [O-][S+]1CCC1 CNP0520919.0 [0,1,0,1,0,0|2,0,0]=4 564 B5R1.3 CC=C1CC1 CNP0594561.0 [0,1,0,1,0,0|1,0,0]=3 565 B5R1.3 ClC[C@@H]1CO1 CNP0569559.2 [0,1,0,1,0,0|2,0,0]=4 566 B5R1.3 ClC[C@H]1CO1 CNP0569559.1 [0,1,0,1,0,0|2,0,0]=4 567 B5R1.3 OCC1CC1 CNP0604045.0 [0,1,0,1,0,0|1,0,0]=3 568 B5R1.3 OCC1CO1 CNP0517243.0 [0,1,0,1,0,0|2,0,0]=4 569 B5R1.4 CC1OC1C CNP0609093.0 [0,1,0,1,0,0|2,0,0]=4 570 B5R1.4 C[C@@H]1S[C@@H]1C CNP0577092.1 [0,1,0,1,0,0|2,0,0]=4 571 B5R1.5 CC1(CO1)C CNP0494243.0 [0,1,0,1,0,0|1,0,0]=3