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|2,1,0]=3 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|1,0,2]=3 7 B3R0.2 CC(=O)C CNP0572494.0 [0,0,0,0,0,0|2,1,0]=3 8 B3R0.2 CC(=O)Cl CNP0537278.0 [0,0,0,0,0,0|2,1,0]=3 9 B3R0.2 CC(=O)N CNP0570171.0 [0,0,0,0,0,0|1,1,0]=2 10 B3R0.2 CC(=O)O CNP0495539.0 [0,0,0,0,0,0|2,1,0]=3 11 B3R0.2 CC(=O)[O-] CNP0505268.0 [0,0,0,0,0,0|2,1,0]=3 12 B3R0.2 CC(=S)N CNP0579768.0 [0,0,0,0,0,0|1,0,0]=1 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|2,0,1]=3 16 B3R0.2 CC(C)O CNP0603430.0 [0,0,0,0,0,0|2,1,1]=4 17 B3R0.2 CC(C)S CNP0483016.0 [0,0,0,0,0,0|2,0,2]=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|3,0,0]=3 20 B3R0.2 CP(=O)O CNP0480086.0 [0,0,0,0,0,0|3,1,0]=4 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|3,0,0]=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|3,1,0]=4 25 B3R0.2 C[As](O)O CNP0579708.0 [0,0,0,0,0,0|3,1,0]=4 26 B3R0.2 C[N+](=N)[O-] CNP0532542.0 [0,0,0,0,0,0|2,1,1]=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|3,1,0]=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|3,1,0]=4 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|1,0,0]=1 44 B3R0.2 N=C(N)S CNP0589508.0 [0,0,0,0,0,0|0,0,2]=2 45 B3R0.2 N=C(S)S CNP0522891.0 [0,0,0,0,0,0|1,0,2]=3 46 B3R0.2 NC(=O)N CNP0520286.0 [0,0,0,0,0,0|0,1,0]=1 47 B3R0.2 NC(=O)O CNP0575336.0 [0,0,0,0,0,0|1,1,0]=2 48 B3R0.2 NC(=S)N CNP0599742.0 [0,0,0,0,0,0|0,0,0]=0 49 B3R0.2 NC(=S)S CNP0574797.0 [0,0,0,0,0,0|1,0,0]=1 50 B3R0.2 N[14C](=O)N CNP0600423.0 [0,0,0,0,0,0|0,1,0]=1 51 B3R0.2 O=C(O)O CNP0491655.0 [0,0,0,0,0,0|2,1,0]=3 52 B3R0.2 O=C(O)P CNP0562466.0 [0,0,0,0,0,0|1,2,0]=3 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|3,1,0]=4 55 B3R0.2 O=S(O)O CNP0520227.0 [0,0,0,0,0,0|3,1,0]=4 56 B3R0.2 O=[Mo+6](O)O CNP0512146.0 [0,0,0,0,0,0|3,1,0]=4 57 B3R0.2 O=[Mo](=O)S CNP0576700.0 [0,0,0,0,0,0|3,0,1]=4 58 B3R0.2 O=[N+]([O-])O CNP0534371.0 [0,0,0,0,0,0|3,1,0]=4 59 B3R0.2 O=[Se](O)O CNP0605088.0 [0,0,0,0,0,0|3,1,0]=4 60 B3R0.2 O=[Si](O)O CNP0567325.0 [0,0,0,0,0,0|2,2,0]=4 61 B3R0.2 OB(O)O CNP0568939.0 [0,0,0,0,0,0|3,1,0]=4 62 B3R0.2 OC(O)O CNP0594478.0 [0,0,0,0,0,0|2,1,1]=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|3,1,0]=4 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|3,1,0]=4 68 B3R0.2 [O-][Cl+2]([O-])O CNP0497451.0 [0,0,0,0,0,0|3,1,0]=4 69 B3R0.2 [O-][I+2]([O-])O CNP0595098.0 [0,0,0,0,0,0|3,1,0]=4 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|1,1,0]=3 75 B2R0.1 C=C[O] CNP0584213.0 [1,0,0,0,0,0|1,1,0]=3 76 B2R0.1 C=NO CNP0573273.0 [1,0,0,0,0,0|2,1,0]=4 77 B2R0.1 C=[N+]=[N-] CNP0484380.0 [1,0,0,0,0,0|2,0,1]=4 78 B2R0.1 CC#N CNP0510997.0 [1,0,0,0,0,0|1,0,2]=4 79 B2R0.1 CC=O CNP0566693.0 [1,0,0,0,0,0|1,1,0]=3 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|1,0,1]=3 85 B2R0.1 CCO CNP0546367.0 [1,0,0,0,0,0|1,1,1]=4 86 B2R0.1 CCS CNP0491795.0 [1,0,0,0,0,0|1,0,2]=4 87 B2R0.1 CN=N CNP0513298.0 [1,0,0,0,0,0|2,0,1]=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|2,0,0]=3 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|2,0,0]=3 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|2,0,1]=4 95 B2R0.1 C[C]=O CNP0538355.0 [1,0,0,0,0,0|1,1,1]=4 96 B2R0.1 C[C]O CNP0601692.0 [1,0,0,0,0,0|1,1,1]=4 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|0,0,2]=3 108 B2R0.1 N#CO CNP0521200.0 [1,0,0,0,0,0|0,1,2]=4 109 B2R0.1 N#CS CNP0590020.0 [1,0,0,0,0,0|0,0,3]=4 110 B2R0.1 N#[N+][O-] CNP0537011.0 [1,0,0,0,0,0|1,1,1]=4 111 B2R0.1 N=C=O CNP0504564.0 [1,0,0,0,0,0|0,1,2]=4 112 B2R0.1 N=C=S CNP0609053.0 [1,0,0,0,0,0|0,0,2]=3 113 B2R0.1 NC=O CNP0569834.0 [1,0,0,0,0,0|0,1,0]=2 114 B2R0.1 NN=O CNP0610110.0 [1,0,0,0,0,0|1,1,0]=3 115 B2R0.1 O=BO CNP0512281.0 [1,0,0,0,0,0|2,1,0]=4 116 B2R0.1 O=C=O CNP0566212.0 [1,0,0,0,0,0|1,1,1]=4 117 B2R0.1 O=C=S CNP0558182.0 [1,0,0,0,0,0|1,0,1]=3 118 B2R0.1 O=CO CNP0494819.0 [1,0,0,0,0,0|1,1,0]=3 119 B2R0.1 O=NCl CNP0485266.0 [1,0,0,0,0,0|2,1,0]=4 120 B2R0.1 O=NO CNP0506888.0 [1,0,0,0,0,0|2,1,0]=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|2,1,0]=4 123 B2R0.1 O=[Mn]=O CNP0493383.0 [1,0,0,0,0,0|2,1,0]=4 124 B2R0.1 O=[Mn]=O CNP0609067.0 [1,0,0,0,0,0|2,1,0]=4 125 B2R0.1 O=[O+][O-] CNP0518683.0 [1,0,0,0,0,0|2,1,0]=4 126 B2R0.1 O=[Se]=O CNP0593099.0 [1,0,0,0,0,0|2,1,0]=4 127 B2R0.1 O=[Si]=O CNP0514392.0 [1,0,0,0,0,0|1,2,0]=4 128 B2R0.1 O=[Te]=O CNP0564386.0 [1,0,0,0,0,0|2,1,0]=4 129 B2R0.1 O=[Ti]=O CNP0587503.0 [1,0,0,0,0,0|2,1,0]=4 130 B2R0.1 OCO CNP0551435.0 [1,0,0,0,0,0|1,1,1]=4 131 B2R0.1 OOO CNP0557106.0 [1,0,0,0,0,0|2,1,0]=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|1,0,1]=3 134 B2R0.1 S=S=S CNP0503807.0 [1,0,0,0,0,0|2,0,0]=3 135 B2R0.1 S=[Se]=S CNP0553318.0 [1,0,0,0,0,0|2,0,0]=3 136 B2R0.1 SCS CNP0488241.0 [1,0,0,0,0,0|1,0,2]=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|1,0,2]=4 141 B2R0.1 [O-][Cl+]O CNP0497237.0 [1,0,0,0,0,0|2,1,0]=4 142 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|1,1,0]=3 144 B4R0.1 C#CC(=O)O CNP0579203.0 [0,1,0,0,0,0|2,1,0]=4 145 B4R0.1 C=C(Br)CO CNP0506207.0 [0,1,0,0,0,0|2,1,0]=4 146 B4R0.1 C=C(C)C#N CNP0560504.0 [0,1,0,0,0,0|2,0,1]=4 147 B4R0.1 C=C(C)C=O CNP0479149.0 [0,1,0,0,0,0|2,1,0]=4 148 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|2,1,0]=4 150 B4R0.1 C=C(Cl)C#N CNP0518154.0 [0,1,0,0,0,0|2,0,1]=4 151 B4R0.1 C=C(N)C#N CNP0550766.0 [0,1,0,0,0,0|1,0,1]=3 152 B4R0.1 C=C(O)C=O CNP0542377.0 [0,1,0,0,0,0|2,1,0]=4 153 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|1,0,1]=3 155 B4R0.1 C=CC(=O)C CNP0571315.0 [0,1,0,0,0,0|2,1,0]=4 156 B4R0.1 C=CC(=O)Cl CNP0569586.0 [0,1,0,0,0,0|2,1,0]=4 157 B4R0.1 C=CC(=O)N CNP0574606.0 [0,1,0,0,0,0|1,1,0]=3 158 B4R0.1 C=CC(=O)O CNP0590547.0 [0,1,0,0,0,0|2,1,0]=4 159 B4R0.1 C=CC(=O)[O-] CNP0528918.0 [0,1,0,0,0,0|2,1,0]=4 160 B4R0.1 CC(=NO)C CNP0591673.0 [0,1,0,0,0,0|2,0,1]=4 161 B4R0.1 CC(=O)C#N CNP0551952.0 [0,1,0,0,0,0|1,1,1]=4 162 B4R0.1 CC(=O)C=O CNP0574322.0 [0,1,0,0,0,0|2,1,0]=4 163 B4R0.1 CC(=O)CBr CNP0602861.0 [0,1,0,0,0,0|2,1,0]=4 164 B4R0.1 CC(=O)CI CNP0515381.0 [0,1,0,0,0,0|2,1,0]=4 165 B4R0.1 CC(=O)CN CNP0602829.0 [0,1,0,0,0,0|1,1,0]=3 166 B4R0.1 CC(=O)CO CNP0487266.0 [0,1,0,0,0,0|2,1,0]=4 167 B4R0.1 CC(=O)CS CNP0514893.0 [0,1,0,0,0,0|2,0,1]=4 168 B4R0.1 CC(=O)N=N CNP0591627.0 [0,1,0,0,0,0|1,1,1]=4 169 B4R0.1 CC(=O)NN CNP0503904.0 [0,1,0,0,0,0|1,1,0]=3 170 B4R0.1 CC(=O)NO CNP0518042.0 [0,1,0,0,0,0|1,1,0]=3 171 B4R0.1 CC(=O)OO CNP0491052.0 [0,1,0,0,0,0|2,1,0]=4 172 B4R0.1 CC(=O)O[Hg+] CNP0504265.0 [0,1,0,0,0,0|2,1,0]=4 173 B4R0.1 CC(C)CN CNP0490050.0 [0,1,0,0,0,0|2,0,1]=4 174 B4R0.1 CC(N)C#N CNP0567528.0 [0,1,0,0,0,0|1,0,2]=4 175 B4R0.1 CC(N)C=O CNP0531209.0 [0,1,0,0,0,0|1,1,1]=4 176 B4R0.1 CC(N)CN CNP0579261.0 [0,1,0,0,0,0|1,0,1]=3 177 B4R0.1 CC=C(C)C CNP0502707.0 [0,1,0,0,0,0|3,0,0]=4 178 B4R0.1 CCC(=N)S CNP0544659.0 [0,1,0,0,0,0|1,0,2]=4 179 B4R0.1 CCC(=O)Br CNP0583620.0 [0,1,0,0,0,0|2,1,0]=4 180 B4R0.1 CCC(=O)C CNP0486447.0 [0,1,0,0,0,0|2,1,0]=4 181 B4R0.1 CCC(=O)Cl CNP0502198.0 [0,1,0,0,0,0|2,1,0]=4 182 B4R0.1 CCC(=O)I CNP0549008.0 [0,1,0,0,0,0|2,1,0]=4 183 B4R0.1 CCC(=O)N CNP0512752.0 [0,1,0,0,0,0|1,1,0]=3 184 B4R0.1 CCC(=O)O CNP0572679.0 [0,1,0,0,0,0|2,1,0]=4 185 B4R0.1 CCC(=O)[O-] CNP0505645.0 [0,1,0,0,0,0|2,1,0]=4 186 B4R0.1 CCC(=O)[O-] CNP0584211.0 [0,1,0,0,0,0|2,1,0]=4 187 B4R0.1 CCC(=O)[O-] CNP0604604.0 [0,1,0,0,0,0|2,1,0]=4 188 B4R0.1 CCC(C)N CNP0520467.0 [0,1,0,0,0,0|2,0,1]=4 189 B4R0.1 CN(C)C=S CNP0516551.0 [0,1,0,0,0,0|3,0,0]=4 190 B4R0.1 CN(N)C=O CNP0593819.0 [0,1,0,0,0,0|2,1,0]=4 191 B4R0.1 CN(O)C=S CNP0483835.0 [0,1,0,0,0,0|3,0,0]=4 192 B4R0.1 CN=C(N)N CNP0588415.0 [0,1,0,0,0,0|1,0,0]=2 193 B4R0.1 CNC(=N)N CNP0590894.0 [0,1,0,0,0,0|1,0,0]=2 194 B4R0.1 CNC(=O)C CNP0491397.0 [0,1,0,0,0,0|1,1,0]=3 195 B4R0.1 CNC(=O)N CNP0576116.0 [0,1,0,0,0,0|0,1,0]=2 196 B4R0.1 CNC(=O)O CNP0594440.0 [0,1,0,0,0,0|1,1,0]=3 197 B4R0.1 CNC(=S)N CNP0572685.0 [0,1,0,0,0,0|0,0,0]=1 198 B4R0.1 CNC(=S)S CNP0524147.0 [0,1,0,0,0,0|1,0,0]=2 199 B4R0.1 CNC(C)C CNP0489071.0 [0,1,0,0,0,0|2,0,1]=4 200 B4R0.1 COC(=O)C CNP0578880.0 [0,1,0,0,0,0|2,1,0]=4 201 B4R0.1 COC(=O)N CNP0575874.0 [0,1,0,0,0,0|1,1,0]=3 202 B4R0.1 CSC(=N)N CNP0572889.0 [0,1,0,0,0,0|0,0,2]=3 203 B4R0.1 CSC(=O)C CNP0491622.0 [0,1,0,0,0,0|2,0,1]=4 204 B4R0.1 C[C@@H](N)CO CNP0589695.1 [0,1,0,0,0,0|1,1,1]=4 205 B4R0.1 C[C@H](N)CO CNP0589695.2 [0,1,0,0,0,0|1,1,1]=4 206 B4R0.1 C[C@H](O)CN CNP0571248.1 [0,1,0,0,0,0|1,1,1]=4 207 B4R0.1 ClC=C(Cl)Cl CNP0539983.0 [0,1,0,0,0,0|3,0,0]=4 208 B4R0.1 N=C(N)NN CNP0538712.0 [0,1,0,0,0,0|1,0,0]=2 209 B4R0.1 N=C(N)NO CNP0496900.0 [0,1,0,0,0,0|1,0,0]=2 210 B4R0.1 N=CC(=O)O CNP0521453.0 [0,1,0,0,0,0|1,1,1]=4 211 B4R0.1 NC(=O)CCl CNP0572781.0 [0,1,0,0,0,0|1,1,0]=3 212 B4R0.1 NC(=O)CI CNP0573172.0 [0,1,0,0,0,0|1,1,0]=3 213 B4R0.1 NC(=O)CO CNP0610142.0 [0,1,0,0,0,0|1,1,0]=3 214 B4R0.1 NC(=O)NO CNP0593192.0 [0,1,0,0,0,0|0,1,0]=2 215 B4R0.1 NCC(=O)N CNP0542212.0 [0,1,0,0,0,0|0,1,0]=2 216 B4R0.1 NCC(=O)O CNP0563879.0 [0,1,0,0,0,0|1,1,0]=3 217 B4R0.1 NCC(=O)[O] CNP0605168.0 [0,1,0,0,0,0|1,1,0]=3 218 B4R0.1 NN=C(N)N CNP0609058.0 [0,1,0,0,0,0|1,0,0]=2 219 B4R0.1 NNC(=S)N CNP0493193.0 [0,1,0,0,0,0|0,0,0]=1 220 B4R0.1 O=C(Cl)CCl CNP0491057.0 [0,1,0,0,0,0|2,1,0]=4 221 B4R0.1 O=C(Cl)CI CNP0533753.0 [0,1,0,0,0,0|2,1,0]=4 222 B4R0.1 O=C(Cl)SCl CNP0604698.0 [0,1,0,0,0,0|2,0,1]=4 223 B4R0.1 O=C(O)CBr CNP0605480.0 [0,1,0,0,0,0|2,1,0]=4 224 B4R0.1 O=C(O)CCl CNP0514898.0 [0,1,0,0,0,0|2,1,0]=4 225 B4R0.1 O=C(O)CI CNP0542117.0 [0,1,0,0,0,0|2,1,0]=4 226 B4R0.1 O=C(O)CO CNP0564020.0 [0,1,0,0,0,0|2,1,0]=4 227 B4R0.1 O=C(O)CS CNP0502399.0 [0,1,0,0,0,0|2,0,1]=4 228 B4R0.1 O=CC(=O)O CNP0571230.0 [0,1,0,0,0,0|2,1,0]=4 229 B4R0.3 CC(C)(N)N CNP0611679.0 [0,1,0,0,0,0|1,0,1]=3 230 B4R0.3 CS(=S)(C)O CNP0608926.0 [0,1,0,0,0,0|3,0,0]=4 231 B4R0.3 NP(=O)(O)O CNP0610116.0 [0,1,0,0,0,0|2,1,0]=4 232 B4R0.3 NS(=O)(=O)O CNP0504817.0 [0,1,0,0,0,0|2,1,0]=4 233 B4R0.3 N[Pt](N)(Cl)Cl CNP0488578.0 [0,1,0,0,0,0|2,0,0]=3 234 B4R0.3 O=S(=S)(O)O CNP0498551.0 [0,1,0,0,0,0|3,0,0]=4 235 B4R1.2 CC1=CC1 CNP0610335.0 [0,0,0,1,0,0|3,0,0]=4 236 B4R1.2 CC1CN1 CNP0565195.0 [0,0,0,1,0,0|2,0,1]=4 237 B4R1.2 NC1CC1 CNP0519928.0 [0,0,0,1,0,0|2,0,1]=4 238 B1R0.1 BrBr CNP0505236.0 [2,0,0,0,0,0|2,0,0]=4 239 B1R0.1 C#C CNP0511228.0 [2,0,0,0,0,0|1,0,1]=4 240 B1R0.1 C#N CNP0572559.0 [2,0,0,0,0,0|0,0,2]=4 241 B1R0.1 C=C CNP0492509.0 [2,0,0,0,0,0|1,0,0]=3 242 B1R0.1 C=O CNP0577301.0 [2,0,0,0,0,0|0,1,0]=3 243 B1R0.1 CBr CNP0579982.0 [2,0,0,0,0,0|1,0,1]=4 244 B1R0.1 CC CNP0522070.0 [2,0,0,0,0,0|1,0,1]=4 245 B1R0.1 CCl CNP0532980.0 [2,0,0,0,0,0|1,0,1]=4 246 B1R0.1 CI CNP0504070.0 [2,0,0,0,0,0|1,0,1]=4 247 B1R0.1 CN CNP0593707.0 [2,0,0,0,0,0|0,0,1]=3 248 B1R0.1 CO CNP0534529.0 [2,0,0,0,0,0|0,1,1]=4 249 B1R0.1 CS CNP0491451.0 [2,0,0,0,0,0|0,0,2]=4 250 B1R0.1 C[Hg+] CNP0514433.0 [2,0,0,0,0,0|1,0,1]=4 251 B1R0.1 C[O] CNP0524894.0 [2,0,0,0,0,0|0,1,1]=4 252 B1R0.1 C[SeH] CNP0480708.0 [2,0,0,0,0,0|0,1,1]=4 253 B1R0.1 ClCl CNP0564417.0 [2,0,0,0,0,0|2,0,0]=4 254 B1R0.1 Cl[TlH2] CNP0576412.0 [2,0,0,0,0,0|2,0,0]=4 255 B1R0.1 II CNP0513028.0 [2,0,0,0,0,0|2,0,0]=4 256 B1R0.1 I[Hg] CNP0548877.0 [2,0,0,0,0,0|2,0,0]=4 257 B1R0.1 N#N CNP0491045.0 [2,0,0,0,0,0|0,0,2]=4 258 B1R0.1 N=O CNP0597172.0 [2,0,0,0,0,0|0,1,1]=4 259 B1R0.1 NN CNP0568901.0 [2,0,0,0,0,0|0,0,0]=2 260 B1R0.1 NO CNP0583127.0 [2,0,0,0,0,0|0,1,0]=3 261 B1R0.1 O=O CNP0554563.0 [2,0,0,0,0,0|1,1,0]=4 262 B1R0.1 O=[Ca] CNP0479999.0 [2,0,0,0,0,0|1,1,0]=4 263 B1R0.1 O=[Fe] CNP0507758.0 [2,0,0,0,0,0|1,1,0]=4 264 B1R0.1 O=[Mg] CNP0534533.0 [2,0,0,0,0,0|1,1,0]=4 265 B1R0.1 O=[Zn] CNP0524985.0 [2,0,0,0,0,0|1,1,0]=4 266 B1R0.1 OCl CNP0592985.0 [2,0,0,0,0,0|1,1,0]=4 267 B1R0.1 OO CNP0525256.0 [2,0,0,0,0,0|1,1,0]=4 268 B1R0.1 O[SiH3] CNP0519560.0 [2,0,0,0,0,0|0,2,0]=4 269 B1R0.1 PP CNP0509731.0 [2,0,0,0,0,0|0,2,0]=4 270 B1R0.1 S=S CNP0549656.0 [2,0,0,0,0,0|1,0,0]=3 271 B1R0.1 S=[AsH] CNP0538289.0 [2,0,0,0,0,0|0,1,0]=3 272 B1R0.1 S=[Cd] CNP0560564.0 [2,0,0,0,0,0|1,0,0]=3 273 B1R0.1 S=[Hg] CNP0507503.0 [2,0,0,0,0,0|1,0,0]=3 274 B1R0.1 SS CNP0553258.0 [2,0,0,0,0,0|1,0,1]=4 275 B1R0.1 S[AsH2] CNP0561326.0 [2,0,0,0,0,0|0,1,1]=4 276 B1R0.1 S[As] CNP0546534.0 [2,0,0,0,0,0|0,1,1]=4 277 B1R0.1 [13CH]#[15N] CNP0538679.0 [2,0,0,0,0,0|0,0,2]=4 278 B1R0.1 [C-]#[O+] CNP0572564.0 [2,0,0,0,0,0|0,1,1]=4 279 B1R0.1 [Cu]I CNP0592352.0 [2,0,0,0,0,0|2,0,0]=4 280 B1R0.1 [K]Br CNP0506686.0 [2,0,0,0,0,0|2,0,0]=4 281 B1R0.1 [NH3+][O-] CNP0579672.0 [2,0,0,0,0,0|0,1,1]=4 282 B1R0.1 [N]=O CNP0547371.0 [2,0,0,0,0,0|0,1,1]=4 283 B1R0.1 [O]O CNP0532421.0 [2,0,0,0,0,0|1,1,0]=4 284 B1R0.1 [Se]=[Se] CNP0539243.0 [2,0,0,0,0,0|1,1,0]=4 285 B3R0.1 C#CC=O CNP0511000.0 [1,1,0,0,0,0|1,1,0]=4 286 B3R0.1 C=C=CBr CNP0595246.0 [1,1,0,0,0,0|2,0,0]=4 287 B3R0.1 C=C=CC CNP0584937.0 [1,1,0,0,0,0|2,0,0]=4 288 B3R0.1 C=CC#N CNP0580732.0 [1,1,0,0,0,0|1,0,1]=4 289 B3R0.1 C=CC=C CNP0574781.0 [1,1,0,0,0,0|2,0,0]=4 290 B3R0.1 C=CC=O CNP0603221.0 [1,1,0,0,0,0|1,1,0]=4 291 B3R0.1 C=CC=S CNP0501678.0 [1,1,0,0,0,0|1,0,0]=3 292 B3R0.1 C=CCC CNP0490956.0 [1,1,0,0,0,0|2,0,0]=4 293 B3R0.1 C=CCN CNP0585503.0 [1,1,0,0,0,0|1,0,0]=3 294 B3R0.1 C=CCO CNP0561492.0 [1,1,0,0,0,0|1,1,0]=4 295 B3R0.1 C=CCS CNP0575677.0 [1,1,0,0,0,0|1,0,1]=4 296 B3R0.1 C=COC CNP0611794.0 [1,1,0,0,0,0|1,1,0]=4 297 B3R0.1 CC=CBr CNP0509639.0 [1,1,0,0,0,0|2,0,0]=4 298 B3R0.1 CC=CC CNP0597271.0 [1,1,0,0,0,0|2,0,0]=4 299 B3R0.1 CC=CS CNP0589530.0 [1,1,0,0,0,0|1,0,1]=4 300 B3R0.1 CC=NO CNP0512137.0 [1,1,0,0,0,0|1,0,1]=4 301 B3R0.1 CC=[N+]=[N-] CNP0532727.0 [1,1,0,0,0,0|1,0,1]=4 302 B3R0.1 CCC=O CNP0570013.0 [1,1,0,0,0,0|1,1,0]=4 303 B3R0.1 CCC=S CNP0546828.0 [1,1,0,0,0,0|1,0,0]=3 304 B3R0.1 CCCN CNP0600530.0 [1,1,0,0,0,0|1,0,1]=4 305 B3R0.1 CCNC CNP0563252.0 [1,1,0,0,0,0|1,0,1]=4 306 B3R0.1 CN=C=S CNP0601890.0 [1,1,0,0,0,0|0,0,2]=4 307 B3R0.1 CNC=O CNP0565671.0 [1,1,0,0,0,0|0,1,0]=3 308 B3R0.1 CNNC CNP0493834.0 [1,1,0,0,0,0|2,0,0]=4 309 B3R0.1 COC=O CNP0494242.0 [1,1,0,0,0,0|1,1,0]=4 310 B3R0.1 ClC=CCl CNP0610334.0 [1,1,0,0,0,0|2,0,0]=4 311 B3R0.1 N=CCN CNP0547283.0 [1,1,0,0,0,0|0,0,1]=3 312 B3R0.1 NC=CS CNP0577276.0 [1,1,0,0,0,0|0,0,1]=3 313 B3R0.1 NCC=O CNP0566697.0 [1,1,0,0,0,0|0,1,0]=3 314 B3R0.1 NCCN CNP0531974.0 [1,1,0,0,0,0|0,0,1]=3 315 B3R0.1 NCCO CNP0581653.0 [1,1,0,0,0,0|0,1,1]=4 316 B3R0.1 NCCS CNP0490978.0 [1,1,0,0,0,0|0,0,2]=4 317 B3R0.1 NCC[O] CNP0586934.0 [1,1,0,0,0,0|0,1,1]=4 318 B3R0.1 NNC=O CNP0501881.0 [1,1,0,0,0,0|0,1,0]=3 319 B3R0.1 O=CC=O CNP0605189.0 [1,1,0,0,0,0|1,1,0]=4 320 B3R0.1 O=CCBr CNP0516788.0 [1,1,0,0,0,0|1,1,0]=4 321 B3R0.1 O=CCO CNP0600524.0 [1,1,0,0,0,0|1,1,0]=4 322 B3R0.1 O=CCS CNP0591045.0 [1,1,0,0,0,0|1,0,1]=4 323 B3R0.1 OC=CO CNP0508859.0 [1,1,0,0,0,0|1,1,0]=4 324 B5R0.1 C=CCC(=O)N CNP0292806.0 [0,2,0,0,0,0|1,1,0]=4 325 B5R0.1 CC=CC(=O)N CNP0376163.0 [0,2,0,0,0,0|1,1,0]=4 326 B5R0.1 CC=CC(=S)N CNP0219494.0 [0,2,0,0,0,0|1,0,0]=3 327 B5R0.1 CCCC(=O)N CNP0115101.0 [0,2,0,0,0,0|1,1,0]=4 328 B5R0.1 CCNC(=O)C CNP0260078.0 [0,2,0,0,0,0|1,1,0]=4 329 B5R0.1 CCNC(=S)N CNP0415621.0 [0,2,0,0,0,0|0,0,0]=2 330 B5R0.1 CCOC(=O)N CNP0336700.0 [0,2,0,0,0,0|1,1,0]=4 331 B5R0.1 CCSC(=N)N CNP0528738.0 [0,2,0,0,0,0|0,0,2]=4 332 B5R0.1 CC[Se]C(=N)N CNP0601350.0 [0,2,0,0,0,0|0,1,1]=4 333 B5R0.1 CNCC(=O)O CNP0307073.0 [0,2,0,0,0,0|1,1,0]=4 334 B5R0.1 CNCC(=O)O CNP0563704.0 [0,2,0,0,0,0|1,1,0]=4 335 B5R0.1 CNCC(=O)[O-] CNP0565920.0 [0,2,0,0,0,0|1,1,0]=4 336 B5R0.1 N#CCC(=O)N CNP0086390.0 [0,2,0,0,0,0|0,1,1]=4 337 B5R0.1 NC(=O)C=CI CNP0204270.0 [0,2,0,0,0,0|1,1,0]=4 338 B5R0.1 NCCC(=O)O CNP0226336.0 [0,2,0,0,0,0|1,1,0]=4 339 B5R0.1 NCNC(=O)N CNP0046326.0 [0,2,0,0,0,0|0,1,0]=3 340 B5R0.1 NOCC(=O)O CNP0293826.0 [0,2,0,0,0,0|1,1,0]=4 341 B5R0.1 O=C(O)CNO CNP0316873.0 [0,2,0,0,0,0|1,1,0]=4 342 B5R0.3 CCC(=O)NN CNP0281170.0 [0,2,0,0,0,0|1,1,0]=4 343 B5R0.3 CCC(N)NC CNP0278870.0 [0,2,0,0,0,0|1,0,1]=4 344 B5R0.3 CNC(=N)NC CNP0404528.0 [0,2,0,0,0,0|1,0,0]=3 345 B5R0.3 CNC(=O)NC CNP0028412.0 [0,2,0,0,0,0|0,1,0]=3 346 B5R0.3 CNC(=O)OC CNP0483114.0 [0,2,0,0,0,0|1,1,0]=4 347 B5R0.3 COC(=O)NN CNP0033099.0 [0,2,0,0,0,0|1,1,0]=4 348 B5R0.3 NCC(=O)NO CNP0470573.0 [0,2,0,0,0,0|0,1,0]=3 349 B5R0.3 NNC(=S)NN CNP0056933.0 [0,2,0,0,0,0|0,0,0]=2 350 B5R0.5 C=C(C)C(=O)N CNP0186369.0 [0,2,0,0,0,0|1,1,0]=4 351 B5R0.5 C=C(Cl)C(=O)N CNP0229491.0 [0,2,0,0,0,0|1,1,0]=4 352 B5R0.5 C=C(N)C(=O)N CNP0591175.0 [0,2,0,0,0,0|0,1,0]=3 353 B5R0.5 C=C(N)C(=O)O CNP0224979.0 [0,2,0,0,0,0|1,1,0]=4 354 B5R0.5 CC(=O)C(=O)N CNP0289593.0 [0,2,0,0,0,0|1,1,0]=4 355 B5R0.5 CC(=O)N(C)C CNP0083052.0 [0,2,0,0,0,0|1,1,0]=4 356 B5R0.5 CC(C)C(=O)N CNP0226996.0 [0,2,0,0,0,0|1,1,0]=4 357 B5R0.5 CN(C)C(=N)N CNP0155822.0 [0,2,0,0,0,0|1,0,0]=3 358 B5R0.5 CN(C)C(=S)S CNP0033815.0 [0,2,0,0,0,0|1,0,0]=3 359 B5R0.5 C[C@@H](N)C(=O)O CNP0313085.2 [0,2,0,0,0,0|1,1,0]=4 360 B5R0.5 C[C@H](N)C(=O)O CNP0313085.1 [0,2,0,0,0,0|1,1,0]=4 361 B5R0.5 NC(=O)C(=O)N CNP0365298.0 [0,2,0,0,0,0|0,1,0]=3 362 B5R0.5 NC(=O)C(=O)O CNP0300477.0 [0,2,0,0,0,0|1,1,0]=4 363 B5R0.5 NC(=O)C(Br)Br CNP0017791.0 [0,2,0,0,0,0|1,1,0]=4 364 B5R0.5 NC(=O)C(Cl)Cl CNP0516271.0 [0,2,0,0,0,0|1,1,0]=4 365 B5R0.5 NC(=O)C(I)I CNP0182681.0 [0,2,0,0,0,0|1,1,0]=4 366 B5R0.5 NC(=O)[C@@H](Cl)I CNP0321983.1 [0,2,0,0,0,0|1,1,0]=4 367 B5R0.5 N[C@H](O)C(=O)O CNP0294076.1 [0,2,0,0,0,0|1,1,0]=4 368 B3R1.1 C1CN1 CNP0581365.0 [1,0,0,1,0,0|1,0,1]=4