0 B4R1.2 CC1=CC1 CNP0610335.0 [0,0,0,0,0,0|1,0,1]=2 1 B4R1.2 CC1CC1 CNP0597751.0 [0,0,0,0,0,0|1,0,0]=1 2 B4R1.2 CC1CN1 CNP0565195.0 [0,0,0,0,0,0|1,0,0]=1 3 B4R1.2 CC1CO1 CNP0586888.0 [0,0,0,0,0,0|0,0,0]=0 4 B4R1.2 CC1CS1 CNP0482664.0 [0,0,0,0,0,0|0,1,0]=1 5 B4R1.2 C[C@H]1CS1 CNP0482664.1 [0,0,0,0,0,0|0,1,0]=1 6 B4R1.2 NC1CC1 CNP0519928.0 [0,0,0,0,0,0|2,0,0]=2 7 B4R1.2 OC1OO1 CNP0541068.0 [0,0,0,0,0,0|2,0,0]=2 8 B3R1.1 C1CC1 CNP0541531.0 [1,0,0,0,0,0|1,0,0]=2 9 B3R1.1 C1CN1 CNP0581365.0 [1,0,0,0,0,0|1,0,0]=2 10 B3R1.1 C1CO1 CNP0573142.0 [1,0,0,0,0,0|0,0,0]=1 11 B3R1.1 O1OO1 CNP0556426.0 [1,0,0,0,0,0|2,0,0]=3 12 B5R1.3 CC=C1CC1 CNP0594561.0 [0,1,0,0,0,0|1,0,1]=3 13 B5R1.3 ClC[C@@H]1CO1 CNP0569559.2 [0,1,0,0,0,0|0,0,0]=1 14 B5R1.3 ClC[C@H]1CO1 CNP0569559.1 [0,1,0,0,0,0|0,0,0]=1 15 B5R1.3 OCC1CC1 CNP0604045.0 [0,1,0,0,0,0|1,0,0]=2 16 B5R1.3 OCC1CO1 CNP0517243.0 [0,1,0,0,0,0|0,0,0]=1 17 B5R1.4 CC1OC1C CNP0609093.0 [0,1,0,0,0,0|0,0,0]=1 18 B5R1.4 C[C@@H]1S[C@@H]1C CNP0577092.1 [0,1,0,0,0,0|0,1,0]=2 19 B5R1.5 CC1(CO1)C CNP0494243.0 [0,1,0,0,0,0|0,0,0]=1 20 B5R1.5 ClC1(CO1)Cl CNP0513034.0 [0,1,0,0,0,0|1,0,0]=2 21 B3R0.1 BrCCBr CNP0591557.0 [0,0,1,0,0,0|2,0,0]=3 22 B3R0.1 BrCCI CNP0495630.0 [0,0,1,0,0,0|2,0,0]=3 23 B3R0.1 C#CCC CNP0509561.0 [0,0,1,0,0,0|1,0,1]=3 24 B3R0.1 C#CCO CNP0488604.0 [0,0,1,0,0,0|0,0,2]=3 25 B3R0.1 C#[N+]CC CNP0559170.0 [0,0,1,0,0,0|1,0,1]=3 26 B3R0.1 C=C=CC CNP0584937.0 [0,0,1,0,0,0|1,0,2]=4 27 B3R0.1 C=CCC CNP0490956.0 [0,0,1,0,0,0|1,0,1]=3 28 B3R0.1 C=CCN CNP0585503.0 [0,0,1,0,0,0|1,0,2]=4 29 B3R0.1 C=CCO CNP0561492.0 [0,0,1,0,0,0|0,0,2]=3 30 B3R0.1 C=CCS CNP0575677.0 [0,0,1,0,0,0|0,1,2]=4 31 B3R0.1 C=COC CNP0611794.0 [0,0,1,0,0,0|0,0,2]=3 32 B3R0.1 CC#CC CNP0556029.0 [0,0,1,0,0,0|1,0,1]=3 33 B3R0.1 CC=CBr CNP0509639.0 [0,0,1,0,0,0|1,0,2]=4 34 B3R0.1 CC=CC CNP0597271.0 [0,0,1,0,0,0|1,0,1]=3 35 B3R0.1 CC=CS CNP0589530.0 [0,0,1,0,0,0|0,1,2]=4 36 B3R0.1 CC=NO CNP0512137.0 [0,0,1,0,0,0|1,0,1]=3 37 B3R0.1 CC=[N+]=[N-] CNP0532727.0 [0,0,1,0,0,0|2,0,1]=4 38 B3R0.1 CCC#N CNP0564998.0 [0,0,1,0,0,0|1,0,1]=3 39 B3R0.1 CCC=O CNP0570013.0 [0,0,1,0,0,0|0,0,2]=3 40 B3R0.1 CCC=S CNP0546828.0 [0,0,1,0,0,0|0,1,1]=3 41 B3R0.1 CCCBr CNP0561445.0 [0,0,1,0,0,0|1,0,0]=2 42 B3R0.1 CCCC CNP0597736.0 [0,0,1,0,0,0|1,0,0]=2 43 B3R0.1 CCCI CNP0596010.0 [0,0,1,0,0,0|1,0,0]=2 44 B3R0.1 CCCN CNP0600530.0 [0,0,1,0,0,0|1,0,0]=2 45 B3R0.1 CCCO CNP0605151.0 [0,0,1,0,0,0|0,0,0]=1 46 B3R0.1 CCCS CNP0572992.0 [0,0,1,0,0,0|0,1,0]=2 47 B3R0.1 CCN=O CNP0552947.0 [0,0,1,0,0,0|1,0,1]=3 48 B3R0.1 CCNC CNP0563252.0 [0,0,1,0,0,0|1,0,0]=2 49 B3R0.1 CCOC CNP0484105.0 [0,0,1,0,0,0|0,0,0]=1 50 B3R0.1 CCOO CNP0591807.0 [0,0,1,0,0,0|1,0,0]=2 51 B3R0.1 CCSC CNP0596541.0 [0,0,1,0,0,0|0,1,0]=2 52 B3R0.1 CCSO CNP0559716.0 [0,0,1,0,0,0|1,0,0]=2 53 B3R0.1 CN=C=O CNP0542197.0 [0,0,1,0,0,0|1,0,2]=4 54 B3R0.1 CN=C=S CNP0601890.0 [0,0,1,0,0,0|1,1,1]=4 55 B3R0.1 CNC=O CNP0565671.0 [0,0,1,0,0,0|1,0,2]=4 56 B3R0.1 CNNC CNP0493834.0 [0,0,1,0,0,0|2,0,0]=3 57 B3R0.1 COC=O CNP0494242.0 [0,0,1,0,0,0|1,0,1]=3 58 B3R0.1 COOC CNP0610139.0 [0,0,1,0,0,0|1,0,0]=2 59 B3R0.1 CSC#N CNP0493602.0 [0,0,1,0,0,0|1,1,1]=4 60 B3R0.1 CSSC CNP0600942.0 [0,0,1,0,0,0|1,1,0]=3 61 B3R0.1 C[Se][Se]C CNP0508246.0 [0,0,1,0,0,0|1,1,0]=3 62 B3R0.1 ClCCBr CNP0493040.0 [0,0,1,0,0,0|2,0,0]=3 63 B3R0.1 ClCCCl CNP0592018.0 [0,0,1,0,0,0|2,0,0]=3 64 B3R0.1 N#CCI CNP0547629.0 [0,0,1,0,0,0|2,0,1]=4 65 B3R0.1 N#CCS CNP0566385.0 [0,0,1,0,0,0|1,1,1]=4 66 B3R0.1 N#CSO CNP0569271.0 [0,0,1,0,0,0|2,0,1]=4 67 B3R0.1 N=CCN CNP0547283.0 [0,0,1,0,0,0|2,0,1]=4 68 B3R0.1 NCC=O CNP0566697.0 [0,0,1,0,0,0|1,0,2]=4 69 B3R0.1 NCCN CNP0531974.0 [0,0,1,0,0,0|2,0,0]=3 70 B3R0.1 NCCO CNP0581653.0 [0,0,1,0,0,0|1,0,0]=2 71 B3R0.1 NCCS CNP0490978.0 [0,0,1,0,0,0|1,1,0]=3 72 B3R0.1 NCC[O] CNP0586934.0 [0,0,1,0,0,0|1,0,1]=3 73 B3R0.1 O=BOO CNP0541096.0 [0,0,1,0,0,0|3,0,0]=4 74 B3R0.1 O=CCBr CNP0516788.0 [0,0,1,0,0,0|1,0,2]=4 75 B3R0.1 O=CCO CNP0600524.0 [0,0,1,0,0,0|1,0,1]=3 76 B3R0.1 O=CCS CNP0591045.0 [0,0,1,0,0,0|1,0,2]=4 77 B3R0.1 O=NOO CNP0508221.0 [0,0,1,0,0,0|3,0,0]=4 78 B3R0.1 OC=CO CNP0508859.0 [0,0,1,0,0,0|1,0,2]=4 79 B3R0.1 OCCCl CNP0532317.0 [0,0,1,0,0,0|1,0,0]=2 80 B3R0.1 OCCI CNP0489668.0 [0,0,1,0,0,0|1,0,0]=2 81 B3R0.1 OCCO CNP0484938.0 [0,0,1,0,0,0|1,0,0]=2 82 B3R0.1 OCCS CNP0576505.0 [0,0,1,0,0,0|1,0,0]=2 83 B3R0.1 SCCS CNP0506336.0 [0,0,1,0,0,0|1,1,0]=3 84 B3R0.2 BrC(Br)Br CNP0524050.0 [0,0,1,0,0,0|3,0,0]=4 85 B3R0.2 BrC(Br)I CNP0520248.0 [0,0,1,0,0,0|3,0,0]=4 86 B3R0.2 BrC(I)I CNP0514657.0 [0,0,1,0,0,0|3,0,0]=4 87 B3R0.2 C=C(C)C CNP0512482.0 [0,0,1,0,0,0|1,0,1]=3 88 B3R0.2 C=C(C)O CNP0514997.0 [0,0,1,0,0,0|0,0,2]=3 89 B3R0.2 CC(=N)S CNP0537692.0 [0,0,1,0,0,0|1,1,1]=4 90 B3R0.2 CC(=O)C CNP0572494.0 [0,0,1,0,0,0|0,0,2]=3 91 B3R0.2 CC(=O)Cl CNP0537278.0 [0,0,1,0,0,0|1,0,2]=4 92 B3R0.2 CC(=O)N CNP0570171.0 [0,0,1,0,0,0|1,0,2]=4 93 B3R0.2 CC(=O)O CNP0495539.0 [0,0,1,0,0,0|1,0,1]=3 94 B3R0.2 CC(=O)[O-] CNP0505268.0 [0,0,1,0,0,0|1,0,2]=4 95 B3R0.2 CC(=S)N CNP0579768.0 [0,0,1,0,0,0|1,1,1]=4 96 B3R0.2 CC(C)C CNP0580677.0 [0,0,1,0,0,0|1,0,0]=2 97 B3R0.2 CC(C)I CNP0515098.0 [0,0,1,0,0,0|1,0,0]=2 98 B3R0.2 CC(C)N CNP0574231.0 [0,0,1,0,0,0|1,0,0]=2 99 B3R0.2 CC(C)O CNP0603430.0 [0,0,1,0,0,0|0,0,0]=1 100 B3R0.2 CC(C)S CNP0483016.0 [0,0,1,0,0,0|0,1,0]=2 101 B3R0.2 CN(C)C CNP0522907.0 [0,0,1,0,0,0|2,0,0]=3 102 B3R0.2 CN(C)N CNP0573264.0 [0,0,1,0,0,0|2,0,0]=3 103 B3R0.2 CP(=O)O CNP0480086.0 [0,0,1,0,0,0|2,0,0]=3 104 B3R0.2 CP(C)C CNP0586622.0 [0,0,1,0,0,0|2,0,0]=3 105 B3R0.2 CS(=S)O CNP0609306.0 [0,0,1,0,0,0|2,0,0]=3 106 B3R0.2 C[As](C)C CNP0539997.0 [0,0,1,0,0,0|2,0,0]=3 107 B3R0.2 C[As](C)O CNP0541907.0 [0,0,1,0,0,0|1,0,0]=2 108 B3R0.2 C[As](O)O CNP0579708.0 [0,0,1,0,0,0|2,0,0]=3 109 B3R0.2 C[N+](=N)[O-] CNP0532542.0 [0,0,1,0,0,0|2,0,1]=4 110 B3R0.2 C[S+](C)C CNP0555694.0 [0,0,1,0,0,0|2,0,0]=3 111 B3R0.2 C[S+](C)[O-] CNP0499675.0 [0,0,1,0,0,0|1,0,1]=3 112 B3R0.2 C[Se+](C)C CNP0504179.0 [0,0,1,0,0,0|2,0,0]=3 113 B3R0.2 C[SeH2](=[Se])C CNP0610734.0 [0,0,1,0,0,0|1,1,0]=3 114 B3R0.2 C[SeH](C)[SeH] CNP0608908.0 [0,0,1,0,0,0|1,1,0]=3 115 B3R0.2 C[Se](=O)O CNP0501647.0 [0,0,1,0,0,0|2,0,0]=3 116 B3R0.2 ClC(Br)Br CNP0573891.0 [0,0,1,0,0,0|3,0,0]=4 117 B3R0.2 ClC(Cl)Br CNP0524174.0 [0,0,1,0,0,0|3,0,0]=4 118 B3R0.2 ClC(Cl)Cl CNP0479643.0 [0,0,1,0,0,0|3,0,0]=4 119 B3R0.2 Cl[C@@H](Br)I CNP0538147.2 [0,0,1,0,0,0|3,0,0]=4 120 B3R0.2 Cl[C@H](Br)I CNP0538147.1 [0,0,1,0,0,0|3,0,0]=4 121 B3R0.2 IC(I)I CNP0599207.0 [0,0,1,0,0,0|3,0,0]=4 122 B3R0.2 NC(=O)O CNP0575336.0 [0,0,1,0,0,0|2,0,1]=4 123 B3R0.2 O=C(O)O CNP0491655.0 [0,0,1,0,0,0|2,0,1]=4 124 B3R0.2 O=C(O)P CNP0562466.0 [0,0,1,0,0,0|2,0,1]=4 125 B3R0.2 O=P(O)O CNP0517495.0 [0,0,1,0,0,0|3,0,0]=4 126 B3R0.2 O=S(=O)O CNP0578309.0 [0,0,1,0,0,0|3,0,0]=4 127 B3R0.2 O=S(O)O CNP0520227.0 [0,0,1,0,0,0|3,0,0]=4 128 B3R0.2 O=[Mo+6](O)O CNP0512146.0 [0,0,1,0,0,0|3,0,0]=4 129 B3R0.2 O=[N+]([O-])O CNP0534371.0 [0,0,1,0,0,0|3,0,0]=4 130 B3R0.2 O=[Se](O)O CNP0605088.0 [0,0,1,0,0,0|3,0,0]=4 131 B3R0.2 O=[Si](O)O CNP0567325.0 [0,0,1,0,0,0|2,1,0]=4 132 B3R0.2 OB(O)O CNP0568939.0 [0,0,1,0,0,0|3,0,0]=4 133 B3R0.2 OC(O)O CNP0594478.0 [0,0,1,0,0,0|2,0,0]=3 134 B3R0.2 O[As](O)O CNP0559543.0 [0,0,1,0,0,0|3,0,0]=4 135 B3R0.2 O[Sb](O)O CNP0536687.0 [0,0,1,0,0,0|3,0,0]=4 136 B3R0.2 O[Zn-](O)O CNP0493920.0 [0,0,1,0,0,0|3,0,0]=4 137 B3R0.2 [CH2]C(C)C CNP0571096.0 [0,0,1,0,0,0|1,0,0]=2 138 B3R0.2 [O-][Br+2]([O-])O CNP0595435.0 [0,0,1,0,0,0|3,0,0]=4 139 B3R0.2 [O-][Cl+2]([O-])O CNP0497451.0 [0,0,1,0,0,0|3,0,0]=4 140 B3R0.2 [O-][I+2]([O-])O CNP0595098.0 [0,0,1,0,0,0|3,0,0]=4 141 B5R1.2 CC1CCC1 CNP0546383.0 [0,0,0,0,0,1|1,0,0]=2 142 B5R1.2 NC1CCC1 CNP0609061.0 [0,0,0,0,0,1|2,0,0]=3 143 B5R1.2 O=C1CCO1 CNP0555602.0 [0,0,0,0,0,1|1,0,1]=3 144 B5R1.2 OC1CCC1 CNP0562500.0 [0,0,0,0,0,1|2,0,0]=3 145 B5R1.2 [O-][S+]1CCC1 CNP0520919.0 [0,0,0,0,0,1|3,0,0]=4 146 B2R0.1 BrCBr CNP0494232.0 [1,0,1,0,0,0|2,0,0]=4 147 B2R0.1 BrCI CNP0594254.0 [1,0,1,0,0,0|2,0,0]=4 148 B2R0.1 C=CC CNP0522895.0 [1,0,1,0,0,0|0,0,2]=4 149 B2R0.1 C=CO CNP0606787.0 [1,0,1,0,0,0|0,0,2]=4 150 B2R0.1 C=NO CNP0573273.0 [1,0,1,0,0,0|1,0,1]=4 151 B2R0.1 CC#N CNP0510997.0 [1,0,1,0,0,0|1,0,1]=4 152 B2R0.1 CC=O CNP0566693.0 [1,0,1,0,0,0|0,0,2]=4 153 B2R0.1 CCBr CNP0511569.0 [1,0,1,0,0,0|1,0,0]=3 154 B2R0.1 CCC CNP0529348.0 [1,0,1,0,0,0|0,0,0]=2 155 B2R0.1 CCCl CNP0605324.0 [1,0,1,0,0,0|1,0,0]=3 156 B2R0.1 CCI CNP0562236.0 [1,0,1,0,0,0|1,0,0]=3 157 B2R0.1 CCN CNP0561286.0 [1,0,1,0,0,0|1,0,0]=3 158 B2R0.1 CCO CNP0546367.0 [1,0,1,0,0,0|0,0,0]=2 159 B2R0.1 CCS CNP0491795.0 [1,0,1,0,0,0|0,1,0]=3 160 B2R0.1 CN=N CNP0513298.0 [1,0,1,0,0,0|2,0,0]=4 161 B2R0.1 CNC CNP0491602.0 [1,0,1,0,0,0|1,0,0]=3 162 B2R0.1 CNN CNP0609070.0 [1,0,1,0,0,0|2,0,0]=4 163 B2R0.1 COC CNP0580850.0 [1,0,1,0,0,0|0,0,0]=2 164 B2R0.1 CON CNP0566773.0 [1,0,1,0,0,0|1,0,0]=3 165 B2R0.1 CPC CNP0528872.0 [1,0,1,0,0,0|1,0,0]=3 166 B2R0.1 CSC CNP0569922.0 [1,0,1,0,0,0|0,1,0]=3 167 B2R0.1 CSS CNP0611991.0 [1,0,1,0,0,0|1,1,0]=4 168 B2R0.1 C[C]=O CNP0538355.0 [1,0,1,0,0,0|0,0,2]=4 169 B2R0.1 C[C]O CNP0601692.0 [1,0,1,0,0,0|0,0,1]=3 170 B2R0.1 C[Se]C CNP0500399.0 [1,0,1,0,0,0|0,1,0]=3 171 B2R0.1 C[Te]C CNP0483858.0 [1,0,1,0,0,0|0,1,0]=3 172 B2R0.1 ClCBr CNP0528283.0 [1,0,1,0,0,0|2,0,0]=4 173 B2R0.1 ClCCl CNP0529345.0 [1,0,1,0,0,0|2,0,0]=4 174 B2R0.1 ClCI CNP0600514.0 [1,0,1,0,0,0|2,0,0]=4 175 B2R0.1 ICI CNP0526769.0 [1,0,1,0,0,0|2,0,0]=4 176 B2R0.1 N#CO CNP0521200.0 [1,0,1,0,0,0|1,0,1]=4 177 B2R0.1 O=BO CNP0512281.0 [1,0,1,0,0,0|2,0,0]=4 178 B2R0.1 O=CO CNP0494819.0 [1,0,1,0,0,0|1,0,1]=4 179 B2R0.1 O=NO CNP0506888.0 [1,0,1,0,0,0|2,0,0]=4 180 B2R0.1 O=PO CNP0574430.0 [1,0,1,0,0,0|2,0,0]=4 181 B2R0.1 OCO CNP0551435.0 [1,0,1,0,0,0|1,0,0]=3 182 B2R0.1 OOO CNP0557106.0 [1,0,1,0,0,0|2,0,0]=4 183 B2R0.1 OPO CNP0602064.0 [1,0,1,0,0,0|2,0,0]=4 184 B2R0.1 SCS CNP0488241.0 [1,0,1,0,0,0|1,1,0]=4 185 B2R0.1 [C-]#[N+]C CNP0561919.0 [1,0,1,0,0,0|1,0,1]=4 186 B2R0.1 [CH-]=CC CNP0546792.0 [1,0,1,0,0,0|0,0,2]=4 187 B2R0.1 [CH2]CC CNP0535049.0 [1,0,1,0,0,0|0,0,1]=3 188 B2R0.1 [O-][Cl+]O CNP0497237.0 [1,0,1,0,0,0|2,0,0]=4 189 B4R0.1 C#CC(C)C CNP0586699.0 [0,1,1,0,0,0|1,0,1]=4 190 B4R0.1 C=C(Br)CO CNP0506207.0 [0,1,1,0,0,0|0,0,2]=4 191 B4R0.1 C=C(C)CC CNP0605035.0 [0,1,1,0,0,0|1,0,0]=3 192 B4R0.1 C=C(C)CO CNP0505353.0 [0,1,1,0,0,0|0,0,1]=3 193 B4R0.1 C=CC(C)C CNP0589769.0 [0,1,1,0,0,0|1,0,1]=4 194 B4R0.1 C=C[C@@H](C)O CNP0512445.2 [0,1,1,0,0,0|0,0,2]=4 195 B4R0.1 C=C[C@H](C)O CNP0512445.1 [0,1,1,0,0,0|0,0,2]=4 196 B4R0.1 CC(=NO)C CNP0591673.0 [0,1,1,0,0,0|1,0,1]=4 197 B4R0.1 CC(=O)CBr CNP0602861.0 [0,1,1,0,0,0|1,0,1]=4 198 B4R0.1 CC(=O)CI CNP0515381.0 [0,1,1,0,0,0|1,0,1]=4 199 B4R0.1 CC(=O)CN CNP0602829.0 [0,1,1,0,0,0|1,0,1]=4 200 B4R0.1 CC(=O)CO CNP0487266.0 [0,1,1,0,0,0|0,0,1]=3 201 B4R0.1 CC(=O)CS CNP0514893.0 [0,1,1,0,0,0|0,1,1]=4 202 B4R0.1 CC(=O)NO CNP0518042.0 [0,1,1,0,0,0|1,0,1]=4 203 B4R0.1 CC(=O)OO CNP0491052.0 [0,1,1,0,0,0|1,0,1]=4 204 B4R0.1 CC(=O)O[Hg+] CNP0504265.0 [0,1,1,0,0,0|1,0,1]=4 205 B4R0.1 CC(C)C=O CNP0511471.0 [0,1,1,0,0,0|0,0,2]=4 206 B4R0.1 CC(C)C=[17O] CNP0484940.0 [0,1,1,0,0,0|0,0,2]=4 207 B4R0.1 CC(C)CN CNP0490050.0 [0,1,1,0,0,0|1,0,0]=3 208 B4R0.1 CC(C)CO CNP0493868.0 [0,1,1,0,0,0|0,0,0]=2 209 B4R0.1 CC(C)CS CNP0494383.0 [0,1,1,0,0,0|0,1,0]=3 210 B4R0.1 CC(N)C#N CNP0567528.0 [0,1,1,0,0,0|1,0,1]=4 211 B4R0.1 CC(N)C=O CNP0531209.0 [0,1,1,0,0,0|0,0,2]=4 212 B4R0.1 CC(N)CN CNP0579261.0 [0,1,1,0,0,0|1,0,0]=3 213 B4R0.1 CC(S)CS CNP0488983.0 [0,1,1,0,0,0|0,1,0]=3 214 B4R0.1 CC=C(C)C CNP0502707.0 [0,1,1,0,0,0|1,0,1]=4 215 B4R0.1 CCC(=N)S CNP0544659.0 [0,1,1,0,0,0|0,1,1]=4 216 B4R0.1 CCC(=O)Br CNP0583620.0 [0,1,1,0,0,0|0,0,2]=4 217 B4R0.1 CCC(=O)C CNP0486447.0 [0,1,1,0,0,0|1,0,0]=3 218 B4R0.1 CCC(=O)Cl CNP0502198.0 [0,1,1,0,0,0|0,0,2]=4 219 B4R0.1 CCC(=O)I CNP0549008.0 [0,1,1,0,0,0|0,0,2]=4 220 B4R0.1 CCC(=O)N CNP0512752.0 [0,1,1,0,0,0|0,0,2]=4 221 B4R0.1 CCC(=O)O CNP0572679.0 [0,1,1,0,0,0|0,0,1]=3 222 B4R0.1 CCC(=O)[O-] CNP0505645.0 [0,1,1,0,0,0|0,0,2]=4 223 B4R0.1 CCC(=O)[O-] CNP0584211.0 [0,1,1,0,0,0|0,0,2]=4 224 B4R0.1 CCC(=O)[O-] CNP0604604.0 [0,1,1,0,0,0|0,0,2]=4 225 B4R0.1 CCC(C)C CNP0492867.0 [0,1,1,0,0,0|1,0,0]=3 226 B4R0.1 CCC(C)N CNP0520467.0 [0,1,1,0,0,0|1,0,0]=3 227 B4R0.1 CCC(O)O CNP0533578.0 [0,1,1,0,0,0|0,0,0]=2 228 B4R0.1 CCC(O)S CNP0612126.0 [0,1,1,0,0,0|0,0,0]=2 229 B4R0.1 CC[C@@H](C)O CNP0577352.1 [0,1,1,0,0,0|0,0,0]=2 230 B4R0.1 CC[C@@H](C)S CNP0572211.1 [0,1,1,0,0,0|0,1,0]=3 231 B4R0.1 CC[C@H](C)O CNP0577352.2 [0,1,1,0,0,0|0,0,0]=2 232 B4R0.1 CNC(=O)C CNP0491397.0 [0,1,1,0,0,0|1,0,1]=4 233 B4R0.1 CNC(=O)O CNP0594440.0 [0,1,1,0,0,0|1,0,1]=4 234 B4R0.1 CNC(C)C CNP0489071.0 [0,1,1,0,0,0|1,0,0]=3 235 B4R0.1 COC(=O)C CNP0578880.0 [0,1,1,0,0,0|0,0,1]=3 236 B4R0.1 COC(=O)N CNP0575874.0 [0,1,1,0,0,0|1,0,1]=4 237 B4R0.1 CSC(=O)C CNP0491622.0 [0,1,1,0,0,0|0,1,1]=4 238 B4R0.1 CSC(C)C CNP0486491.0 [0,1,1,0,0,0|0,1,0]=3 239 B4R0.1 CSC(C)S CNP0497634.0 [0,1,1,0,0,0|0,1,0]=3 240 B4R0.1 CS[S@@+](C)[O-] CNP0525842.1 [0,1,1,0,0,0|1,1,0]=4 241 B4R0.1 CS[S@@H+](C)[O-] CNP0579172.1 [0,1,1,0,0,0|1,1,0]=4 242 B4R0.1 C[C@@H](Cl)CCl CNP0573757.1 [0,1,1,0,0,0|1,0,0]=3 243 B4R0.1 C[C@@H](N)CO CNP0589695.1 [0,1,1,0,0,0|0,0,0]=2 244 B4R0.1 C[C@@H](O)C#N CNP0491457.1 [0,1,1,0,0,0|1,0,1]=4 245 B4R0.1 C[C@@H](O)C=O CNP0482941.1 [0,1,1,0,0,0|0,0,2]=4 246 B4R0.1 C[C@@H](O)CO CNP0522839.2 [0,1,1,0,0,0|0,0,0]=2 247 B4R0.1 C[C@H](N)CO CNP0589695.2 [0,1,1,0,0,0|0,0,0]=2 248 B4R0.1 C[C@H](O)C=O CNP0482941.2 [0,1,1,0,0,0|0,0,2]=4 249 B4R0.1 C[C@H](O)CBr CNP0593715.1 [0,1,1,0,0,0|1,0,0]=3 250 B4R0.1 C[C@H](O)CN CNP0571248.1 [0,1,1,0,0,0|1,0,0]=3 251 B4R0.1 C[C@H](O)CO CNP0522839.1 [0,1,1,0,0,0|0,0,0]=2 252 B4R0.1 ClCC(Cl)Cl CNP0506621.0 [0,1,1,0,0,0|2,0,0]=4 253 B4R0.1 NC(=O)CO CNP0610142.0 [0,1,1,0,0,0|1,0,1]=4 254 B4R0.1 NCC(=O)O CNP0563879.0 [0,1,1,0,0,0|1,0,1]=4 255 B4R0.1 O=C(O)CBr CNP0605480.0 [0,1,1,0,0,0|1,0,1]=4 256 B4R0.1 O=C(O)CCl CNP0514898.0 [0,1,1,0,0,0|1,0,1]=4 257 B4R0.1 O=C(O)CI CNP0542117.0 [0,1,1,0,0,0|1,0,1]=4 258 B4R0.1 O=C(O)CO CNP0564020.0 [0,1,1,0,0,0|1,0,1]=4 259 B4R0.1 O=C(O)CS CNP0502399.0 [0,1,1,0,0,0|1,0,1]=4 260 B4R0.1 OCC(Cl)Cl CNP0479097.0 [0,1,1,0,0,0|1,0,0]=3 261 B4R0.1 O[C@@H](Cl)CBr CNP0538567.1 [0,1,1,0,0,0|1,0,0]=3 262 B4R0.2 C#CCCC CNP0510243.0 [0,1,1,0,0,0|1,0,0]=3 263 B4R0.2 C#CCCO CNP0577358.0 [0,1,1,0,0,0|0,0,1]=3 264 B4R0.2 C=C=CCC CNP0484675.0 [0,1,1,0,0,0|1,0,1]=4 265 B4R0.2 C=CCCC CNP0529271.0 [0,1,1,0,0,0|1,0,0]=3 266 B4R0.2 C=CCCN CNP0493733.0 [0,1,1,0,0,0|1,0,1]=4 267 B4R0.2 C=CCCO CNP0599473.0 [0,1,1,0,0,0|0,0,1]=3 268 B4R0.2 C=CCSC CNP0572475.0 [0,1,1,0,0,0|0,1,1]=4 269 B4R0.2 C=CCSO CNP0600527.0 [0,1,1,0,0,0|0,0,2]=4 270 B4R0.2 C=CC[Se]C CNP0612039.0 [0,1,1,0,0,0|0,1,1]=4 271 B4R0.2 C=COCC CNP0567970.0 [0,1,1,0,0,0|0,0,1]=3 272 B4R0.2 C=CSCC CNP0581257.0 [0,1,1,0,0,0|0,1,1]=4 273 B4R0.2 CC#CCC CNP0516358.0 [0,1,1,0,0,0|1,0,0]=3 274 B4R0.2 CC=CCC CNP0524560.0 [0,1,1,0,0,0|1,0,0]=3 275 B4R0.2 CC=CCO CNP0498228.0 [0,1,1,0,0,0|0,0,1]=3 276 B4R0.2 CC=CCS CNP0606069.0 [0,1,1,0,0,0|0,1,1]=4 277 B4R0.2 CC=CSC CNP0587371.0 [0,1,1,0,0,0|0,1,1]=4 278 B4R0.2 CC=CSO CNP0521494.0 [0,1,1,0,0,0|0,0,2]=4 279 B4R0.2 CCC#CO CNP0612045.0 [0,1,1,0,0,0|0,0,1]=3 280 B4R0.2 CCC=NO CNP0599998.0 [0,1,1,0,0,0|0,0,1]=3 281 B4R0.2 CCC=S=O CNP0514855.0 [0,1,1,0,0,0|0,0,2]=4 282 B4R0.2 CCCC=O CNP0518034.0 [0,1,1,0,0,0|0,0,1]=3 283 B4R0.2 CCCCC CNP0486380.0 [0,1,1,0,0,0|1,0,0]=3 284 B4R0.2 CCCCI CNP0558480.0 [0,1,1,0,0,0|1,0,0]=3 285 B4R0.2 CCCCN CNP0597509.0 [0,1,1,0,0,0|1,0,0]=3 286 B4R0.2 CCCCO CNP0505612.0 [0,1,1,0,0,0|0,0,0]=2 287 B4R0.2 CCCCS CNP0598878.0 [0,1,1,0,0,0|0,1,0]=3 288 B4R0.2 CCCNC CNP0599313.0 [0,1,1,0,0,0|1,0,0]=3 289 B4R0.2 CCCOC CNP0609062.0 [0,1,1,0,0,0|0,0,0]=2 290 B4R0.2 CCCSC CNP0481317.0 [0,1,1,0,0,0|0,1,0]=3 291 B4R0.2 CCCSO CNP0594110.0 [0,1,1,0,0,0|0,0,0]=2 292 B4R0.2 CCN=C=S CNP0601773.0 [0,1,1,0,0,0|0,1,1]=4 293 B4R0.2 CCNCC CNP0491960.0 [0,1,1,0,0,0|1,0,0]=3 294 B4R0.2 CCOC=O CNP0525155.0 [0,1,1,0,0,0|0,0,1]=3 295 B4R0.2 CCOCC CNP0572765.0 [0,1,1,0,0,0|0,0,0]=2 296 B4R0.2 CCON=O CNP0596964.0 [0,1,1,0,0,0|1,0,0]=3 297 B4R0.2 CCSC#N CNP0540962.0 [0,1,1,0,0,0|0,1,1]=4 298 B4R0.2 CCSCC CNP0518873.0 [0,1,1,0,0,0|0,1,0]=3 299 B4R0.2 CCSSC CNP0571147.0 [0,1,1,0,0,0|0,1,0]=3 300 B4R0.2 CNCCN CNP0496542.0 [0,1,1,0,0,0|1,0,0]=3 301 B4R0.2 CNCCO CNP0513801.0 [0,1,1,0,0,0|0,0,0]=2 302 B4R0.2 COCCI CNP0495552.0 [0,1,1,0,0,0|0,0,0]=2 303 B4R0.2 COCCO CNP0561250.0 [0,1,1,0,0,0|0,0,0]=2 304 B4R0.2 COCC[Si] CNP0501162.0 [0,1,1,0,0,0|0,0,0]=2 305 B4R0.2 CSCC=O CNP0555203.0 [0,1,1,0,0,0|0,0,2]=4 306 B4R0.2 CSCCO CNP0574269.0 [0,1,1,0,0,0|0,0,0]=2 307 B4R0.2 CSCSC CNP0591427.0 [0,1,1,0,0,0|0,1,0]=3 308 B4R0.2 CSSSC CNP0486985.0 [0,1,1,0,0,0|1,1,0]=4 309 B4R0.2 CS[Se]SC CNP0608554.0 [0,1,1,0,0,0|1,1,0]=4 310 B4R0.2 N#CCCN CNP0502764.0 [0,1,1,0,0,0|1,0,1]=4 311 B4R0.2 NCCC=O CNP0502520.0 [0,1,1,0,0,0|0,0,2]=4 312 B4R0.2 NCCCN CNP0566837.0 [0,1,1,0,0,0|1,0,0]=3 313 B4R0.2 NCCCO CNP0538228.0 [0,1,1,0,0,0|0,0,0]=2 314 B4R0.2 NCCCS CNP0560812.0 [0,1,1,0,0,0|0,1,0]=3 315 B4R0.2 NOCON CNP0531529.0 [0,1,1,0,0,0|2,0,0]=4 316 B4R0.2 O=CCCO CNP0525339.0 [0,1,1,0,0,0|0,0,1]=3 317 B4R0.2 OCC=CCl CNP0578872.0 [0,1,1,0,0,0|0,0,2]=4 318 B4R0.2 OCCCBr CNP0506989.0 [0,1,1,0,0,0|0,0,0]=2 319 B4R0.2 OCCCO CNP0503416.0 [0,1,1,0,0,0|0,0,0]=2 320 B4R0.2 OCCCS CNP0586497.0 [0,1,1,0,0,0|0,0,0]=2 321 B4R0.2 SCCCS CNP0528691.0 [0,1,1,0,0,0|0,1,0]=3 322 B4R0.2 [C-]#[N+]CCC CNP0525086.0 [0,1,1,0,0,0|1,0,0]=3 323 B4R0.3 CC(C)(C)C CNP0568936.0 [0,1,1,0,0,0|1,0,0]=3 324 B4R0.3 CC(C)(C)O CNP0541010.0 [0,1,1,0,0,0|0,0,0]=2 325 B4R0.3 CC(C)(N)N CNP0611679.0 [0,1,1,0,0,0|1,0,0]=3 326 B4R0.3 CC(Cl)(Cl)Cl CNP0581486.0 [0,1,1,0,0,0|2,0,0]=4 327 B4R0.3 CP(=O)(O)O CNP0605019.0 [0,1,1,0,0,0|2,0,0]=4 328 B4R0.3 CS(=O)(=O)C CNP0605129.0 [0,1,1,0,0,0|1,0,1]=4 329 B4R0.3 CS(=O)(=O)O CNP0491438.0 [0,1,1,0,0,0|2,0,0]=4 330 B4R0.3 CS(=S)(C)O CNP0608926.0 [0,1,1,0,0,0|1,0,0]=3 331 B4R0.3 C[As+](C)(C)C CNP0594598.0 [0,1,1,0,0,0|2,0,0]=4 332 B4R0.3 C[As](=O)(C)O CNP0492406.0 [0,1,1,0,0,0|1,0,0]=3 333 B4R0.3 C[As](=O)(O)O CNP0536186.0 [0,1,1,0,0,0|2,0,0]=4 334 B4R0.3 C[N+](C)(C)C CNP0519180.0 [0,1,1,0,0,0|2,0,0]=4 335 B4R0.3 C[N+](C)(C)C CNP0559650.0 [0,1,1,0,0,0|2,0,0]=4 336 B4R0.3 C[N+](C)(C)O CNP0585867.0 [0,1,1,0,0,0|1,0,0]=3 337 B4R0.3 C[N+](C)(C)[O-] CNP0598895.0 [0,1,1,0,0,0|1,0,1]=4 338 B4R0.3 C[Si](C)(C)Cl CNP0530881.0 [0,1,1,0,0,0|1,1,0]=4 339 B4R0.3 C[Si](C)(C)O CNP0575582.0 [0,1,1,0,0,0|0,1,0]=3 340 B4R0.3 C[Si](C)(O)O CNP0563438.0 [0,1,1,0,0,0|0,1,0]=3 341 B6R1.4 C[C@@H]1CCC1=O CNP0253900.1 [0,1,0,0,0,1|1,0,0]=3 342 B6R1.4 C[C@H]1CS[C@@H]1C CNP0207395.1 [0,1,0,0,0,1|0,1,0]=3 343 B6R1.5 C[C@H]1CC(=O)O1 CNP0232064.1 [0,1,0,0,0,1|0,0,0]=2 344 B6R1.5 O=C1C[C@@H](O1)O CNP0300715.1 [0,1,0,0,0,1|1,0,0]=3 345 B6R1.6 OCC1C=CC1 CNP0202846.0 [0,1,0,0,0,1|1,0,0]=3 346 B6R1.10 CC1(CCO1)C CNP0252865.0 [0,1,0,0,0,1|0,0,0]=2 347 B6R1.10 CC1(CCS1)C CNP0181332.0 [0,1,0,0,0,1|0,1,0]=3 348 B6R1.3 CCCC1CC1 CNP0506060.0 [0,2,0,0,0,0|1,0,0]=3 349 B6R1.3 N#CC[C@@H]1CS1 CNP0134968.2 [0,2,0,0,0,0|0,1,0]=3 350 B6R1.3 N#CC[C@H]1CS1 CNP0134968.1 [0,2,0,0,0,0|0,1,0]=3 351 B6R1.3 NCCN1CC1 CNP0522628.0 [0,2,0,0,0,0|2,0,0]=4 352 B6R1.3 S=C=NC1CC1 CNP0158262.0 [0,2,0,0,0,0|1,0,1]=4 353 B6R1.8 CC[C@@H]1C[C@@H]1C CNP0076250.1 [0,2,0,0,0,0|1,0,0]=3 354 B6R1.8 O=C1CC1CO CNP0073765.0 [0,2,0,0,0,0|1,0,0]=3 355 B6R1.9 CC1CC1(C)C CNP0507743.0 [0,2,0,0,0,0|1,0,0]=3 356 B6R1.9 ClC1OC1(Cl)Cl CNP0339973.0 [0,2,0,0,0,0|1,0,0]=3 357 B4R1.1 C1=COC1 CNP0610072.0 [0,0,1,1,0,0|0,0,2]=4 358 B4R1.1 C1CCC1 CNP0580344.0 [0,0,1,1,0,0|1,0,0]=3 359 B4R1.1 C1CSC1 CNP0598686.0 [0,0,1,1,0,0|0,1,0]=3 360 B6R2.4 O1O[C@@H]2[C@H]1O2 CNP0528839.1 [0,0,0,1,0,1|1,0,0]=3 361 B6R1.2 CC1=CC=CO1 CNP0204821.0 [0,0,0,0,0,2|0,0,2]=4 362 B6R1.2 CC1=CCCC1 CNP0610106.0 [0,0,0,0,0,2|1,0,1]=4 363 B6R1.2 CC1=CCCS1 CNP0003101.0 [0,0,0,0,0,2|0,1,1]=4 364 B6R1.2 CC1=CCOC1 CNP0516552.0 [0,0,0,0,0,2|0,0,1]=3 365 B6R1.2 CC1=CCSS1 CNP0166363.0 [0,0,0,0,0,2|0,1,1]=4 366 B6R1.2 CC1=COC=C1 CNP0401605.0 [0,0,0,0,0,2|0,0,2]=4 367 B6R1.2 CC1=COCC1 CNP0002470.0 [0,0,0,0,0,2|0,0,1]=3 368 B6R1.2 CC1=CSSC1 CNP0310441.0 [0,0,0,0,0,2|0,1,1]=4 369 B6R1.2 CC1=NCCO1 CNP0601624.0 [0,0,0,0,0,2|0,0,1]=3 370 B6R1.2 CC1=NCCS1 CNP0225264.0 [0,0,0,0,0,2|0,1,1]=4 371 B6R1.2 CC1=NCSC1 CNP0134706.0 [0,0,0,0,0,2|0,1,1]=4 372 B6R1.2 CC1=NN=CO1 CNP0610339.0 [0,0,0,0,0,2|0,0,2]=4 373 B6R1.2 CC1C=COC1 CNP0165220.0 [0,0,0,0,0,2|0,0,0]=2 374 B6R1.2 CC1CC=CS1 CNP0249135.0 [0,0,0,0,0,2|0,1,0]=3 375 B6R1.2 CC1CCCC1 CNP0194612.0 [0,0,0,0,0,2|1,0,0]=3 376 B6R1.2 CC1CCCO1 CNP0502439.0 [0,0,0,0,0,2|0,0,0]=2 377 B6R1.2 CC1OCCO1 CNP0611683.0 [0,0,0,0,0,2|0,0,0]=2 378 B6R1.2 CC1SCCS1 CNP0002932.0 [0,0,0,0,0,2|0,1,0]=3 379 B6R1.2 CN1CC=CC1 CNP0257888.0 [0,0,0,0,0,2|2,0,0]=4 380 B6R1.2 CN1CCCC1 CNP0395436.0 [0,0,0,0,0,2|2,0,0]=4 381 B6R1.2 C[C@@H]1C=CNC1 CNP0309884.1 [0,0,0,0,0,2|1,0,0]=3 382 B6R1.2 C[C@@H]1C=CSS1 CNP0139337.1 [0,0,0,0,0,2|0,1,1]=4 383 B6R1.2 C[C@@H]1CCCN1 CNP0080827.1 [0,0,0,0,0,2|1,0,0]=3 384 B6R1.2 C[C@@H]1CCSC1 CNP0174337.1 [0,0,0,0,0,2|0,1,0]=3 385 B6R1.2 C[C@H]1C=CSS1 CNP0139337.2 [0,0,0,0,0,2|0,1,1]=4 386 B6R1.2 C[C@H]1NCCS1 CNP0150573.1 [0,0,0,0,0,2|0,1,0]=3 387 B6R1.2 C[N+]1=CCCC1 CNP0251573.0 [0,0,0,0,0,2|2,0,0]=4 388 B6R1.2 O=C1C=CCO1 CNP0253714.0 [0,0,0,0,0,2|1,0,1]=4 389 B6R1.2 O=C1CC=CO1 CNP0494071.0 [0,0,0,0,0,2|1,0,1]=4 390 B6R1.2 O=C1CCCO1 CNP0315299.0 [0,0,0,0,0,2|1,0,1]=4 391 B6R1.2 O=C1CCOC1 CNP0051503.0 [0,0,0,0,0,2|1,0,1]=4 392 B6R1.2 O=C1CCON1 CNP0325381.0 [0,0,0,0,0,2|1,0,1]=4 393 B6R1.2 O=C1NCCO1 CNP0064744.0 [0,0,0,0,0,2|1,0,1]=4 394 B6R1.2 OB1OCCO1 CNP0510130.0 [0,0,0,0,0,2|2,0,0]=4 395 B6R1.2 OC1=NOCC1 CNP0504784.0 [0,0,0,0,0,2|1,0,1]=4 396 B6R1.2 OC1CCCC1 CNP0085994.0 [0,0,0,0,0,2|2,0,0]=4 397 B6R1.2 OC1CSSC1 CNP0317557.0 [0,0,0,0,0,2|1,1,0]=4 398 B6R1.2 O[C@H]1CNOC1 CNP0590444.1 [0,0,0,0,0,2|1,0,0]=3 399 B6R1.2 S=C1NCCO1 CNP0275785.0 [0,0,0,0,0,2|1,0,1]=4 400 B6R1.2 SC1=NCCO1 CNP0580429.0 [0,0,0,0,0,2|1,0,1]=4 401 B6R1.2 SC1CCCC1 CNP0280825.0 [0,0,0,0,0,2|2,0,0]=4 402 B6R1.2 SC1CCCS1 CNP0002503.0 [0,0,0,0,0,2|1,1,0]=4