0 B5R0.4 C#CC(C)(C)O CNP0277501.0 [0,0,0,0,0,0|0,0,2]=2 1 B5R0.4 C=CC(C)(C)O CNP0337361.0 [0,0,0,0,0,0|0,0,0]=0 2 B5R0.4 C=CS(=O)(=O)O CNP0571857.0 [0,0,0,0,0,0|3,0,0]=3 3 B5R0.4 C=C[N+](C)(C)C CNP0076784.0 [0,0,0,0,0,0|2,0,0]=2 4 B5R0.4 C=C[N+](C)(C)C CNP0591850.0 [0,0,0,0,0,0|2,0,0]=2 5 B5R0.4 CC(C)(C)C=O CNP0320383.0 [0,0,0,0,0,0|2,0,0]=2 6 B5R0.4 CC(C)(C)N=O CNP0030824.0 [0,0,0,0,0,0|3,0,0]=3 7 B5R0.4 CC(C)(C)OO CNP0609042.0 [0,0,0,0,0,0|3,0,0]=3 8 B5R0.4 CC(C)(O)C#N CNP0157587.0 [0,0,0,0,0,0|1,0,1]=2 9 B5R0.4 CC(C)(O)C=O CNP0300882.0 [0,0,0,0,0,0|1,0,0]=1 10 B5R0.4 CC(C)(O)CN CNP0332905.0 [0,0,0,0,0,0|1,0,1]=2 11 B5R0.4 CC(C)(O)CO CNP0307478.0 [0,0,0,0,0,0|1,0,1]=2 12 B5R0.4 CC(C)(S)CS CNP0258725.0 [0,0,0,0,0,0|1,1,1]=3 13 B5R0.4 CCC(C)(C)C CNP0113159.0 [0,0,0,0,0,0|1,0,2]=3 14 B5R0.4 CCC(C)(C)I CNP0076730.0 [0,0,0,0,0,0|1,0,2]=3 15 B5R0.4 CCC(C)(C)N CNP0083061.0 [0,0,0,0,0,0|1,0,2]=3 16 B5R0.4 CCC(C)(C)O CNP0239239.0 [0,0,0,0,0,0|0,0,2]=2 17 B5R0.4 CC[Si](C)(C)C CNP0572818.0 [0,0,0,0,0,0|1,1,2]=4 18 B5R0.4 COC(C)(C)C CNP0379426.0 [0,0,0,0,0,0|2,0,1]=3 19 B5R0.4 CO[As](=O)(C)C CNP0017834.0 [0,0,0,0,0,0|2,0,2]=4 20 B5R0.4 CP(=O)(C)CO CNP0140331.0 [0,0,0,0,0,0|2,0,2]=4 21 B5R0.4 O=CC(Br)(Br)Br CNP0335672.0 [0,0,0,0,0,0|4,0,0]=4 22 B5R0.4 O=CC(Cl)(Cl)Cl CNP0323670.0 [0,0,0,0,0,0|4,0,0]=4 23 B5R0.4 O=CC(I)(I)I CNP0246473.0 [0,0,0,0,0,0|4,0,0]=4 24 B4R0.1 C#CC(C)C CNP0586699.0 [1,0,0,0,0,0|0,0,2]=3 25 B4R0.1 C=C(C)C=O CNP0479149.0 [1,0,0,0,0,0|1,0,2]=4 26 B4R0.1 C=C(O)C=O CNP0542377.0 [1,0,0,0,0,0|1,0,2]=4 27 B4R0.1 C=CC(=C)C CNP0489519.0 [1,0,0,0,0,0|0,0,2]=3 28 B4R0.1 C=CC(=N)N CNP0498731.0 [1,0,0,0,0,0|2,0,1]=4 29 B4R0.1 C=CC(=O)C CNP0571315.0 [1,0,0,0,0,0|0,0,2]=3 30 B4R0.1 C=CC(=O)Cl CNP0569586.0 [1,0,0,0,0,0|1,0,2]=4 31 B4R0.1 C=CC(=O)N CNP0574606.0 [1,0,0,0,0,0|1,0,2]=4 32 B4R0.1 C=CC(=O)O CNP0590547.0 [1,0,0,0,0,0|1,0,1]=3 33 B4R0.1 C=CC(=O)[O-] CNP0528918.0 [1,0,0,0,0,0|1,0,2]=4 34 B4R0.1 C=CC(C)C CNP0589769.0 [1,0,0,0,0,0|0,0,0]=1 35 B4R0.1 C=C[C@@H](C)O CNP0512445.2 [1,0,0,0,0,0|0,0,0]=1 36 B4R0.1 C=C[C@H](C)O CNP0512445.1 [1,0,0,0,0,0|0,0,0]=1 37 B4R0.1 CC(=NO)C CNP0591673.0 [1,0,0,0,0,0|2,0,1]=4 38 B4R0.1 CC(=O)C=O CNP0574322.0 [1,0,0,0,0,0|1,0,2]=4 39 B4R0.1 CC(C)C=O CNP0511471.0 [1,0,0,0,0,0|1,0,0]=2 40 B4R0.1 CC(C)C=[17O] CNP0484940.0 [1,0,0,0,0,0|1,0,0]=2 41 B4R0.1 CC(C)CN CNP0490050.0 [1,0,0,0,0,0|1,0,1]=3 42 B4R0.1 CC(C)CO CNP0493868.0 [1,0,0,0,0,0|1,0,1]=3 43 B4R0.1 CC(C)CS CNP0494383.0 [1,0,0,0,0,0|1,0,1]=3 44 B4R0.1 CC(N)C#N CNP0567528.0 [1,0,0,0,0,0|2,0,1]=4 45 B4R0.1 CC(N)C=O CNP0531209.0 [1,0,0,0,0,0|2,0,0]=3 46 B4R0.1 CC(N)CN CNP0579261.0 [1,0,0,0,0,0|2,0,1]=4 47 B4R0.1 CC(S)CS CNP0488983.0 [1,0,0,0,0,0|1,1,1]=4 48 B4R0.1 CC=C(C)C CNP0502707.0 [1,0,0,0,0,0|0,0,2]=3 49 B4R0.1 CCC(C)C CNP0492867.0 [1,0,0,0,0,0|0,0,2]=3 50 B4R0.1 CCC(C)N CNP0520467.0 [1,0,0,0,0,0|1,0,2]=4 51 B4R0.1 CCC(O)O CNP0533578.0 [1,0,0,0,0,0|1,0,2]=4 52 B4R0.1 CCC(O)S CNP0612126.0 [1,0,0,0,0,0|1,0,2]=4 53 B4R0.1 CC[C@@H](C)O CNP0577352.1 [1,0,0,0,0,0|0,0,2]=3 54 B4R0.1 CC[C@@H](C)S CNP0572211.1 [1,0,0,0,0,0|0,1,2]=4 55 B4R0.1 CC[C@H](C)O CNP0577352.2 [1,0,0,0,0,0|0,0,2]=3 56 B4R0.1 CN(C)C=O CNP0566193.0 [1,0,0,0,0,0|2,0,0]=3 57 B4R0.1 CN(C)C=S CNP0516551.0 [1,0,0,0,0,0|2,0,0]=3 58 B4R0.1 CN(C)N=O CNP0503536.0 [1,0,0,0,0,0|3,0,0]=4 59 B4R0.1 CN(N)C=O CNP0593819.0 [1,0,0,0,0,0|3,0,0]=4 60 B4R0.1 CN(O)C=S CNP0483835.0 [1,0,0,0,0,0|2,0,0]=3 61 B4R0.1 CNC(C)C CNP0489071.0 [1,0,0,0,0,0|1,0,1]=3 62 B4R0.1 CSC(C)C CNP0486491.0 [1,0,0,0,0,0|1,0,1]=3 63 B4R0.1 CSC(C)S CNP0497634.0 [1,0,0,0,0,0|1,1,1]=4 64 B4R0.1 C[C@@H](Cl)CCl CNP0573757.1 [1,0,0,0,0,0|2,0,1]=4 65 B4R0.1 C[C@@H](N)CO CNP0589695.1 [1,0,0,0,0,0|2,0,1]=4 66 B4R0.1 C[C@@H](O)C#N CNP0491457.1 [1,0,0,0,0,0|1,0,1]=3 67 B4R0.1 C[C@@H](O)C=O CNP0482941.1 [1,0,0,0,0,0|1,0,0]=2 68 B4R0.1 C[C@@H](O)CO CNP0522839.2 [1,0,0,0,0,0|1,0,1]=3 69 B4R0.1 C[C@H](N)CO CNP0589695.2 [1,0,0,0,0,0|2,0,1]=4 70 B4R0.1 C[C@H](O)C=O CNP0482941.2 [1,0,0,0,0,0|1,0,0]=2 71 B4R0.1 C[C@H](O)CBr CNP0593715.1 [1,0,0,0,0,0|1,0,1]=3 72 B4R0.1 C[C@H](O)CN CNP0571248.1 [1,0,0,0,0,0|1,0,1]=3 73 B4R0.1 C[C@H](O)CO CNP0522839.1 [1,0,0,0,0,0|1,0,1]=3 74 B4R0.1 C[C](C)C=O CNP0568847.0 [1,0,0,0,0,0|1,0,1]=3 75 B4R0.1 N=CC(=O)O CNP0521453.0 [1,0,0,0,0,0|2,0,1]=4 76 B4R0.1 O=CC(=O)O CNP0571230.0 [1,0,0,0,0,0|2,0,1]=4 77 B4R0.1 O=CC(Br)Br CNP0551465.0 [1,0,0,0,0,0|3,0,0]=4 78 B4R0.1 O=CC(Cl)Cl CNP0500598.0 [1,0,0,0,0,0|3,0,0]=4 79 B4R0.1 O[C@@H](Cl)CBr CNP0538567.1 [1,0,0,0,0,0|2,0,1]=4 80 B4R0.3 CC(C)(C)C CNP0568936.0 [1,0,0,0,0,0|1,0,1]=3 81 B4R0.3 CC(C)(C)O CNP0541010.0 [1,0,0,0,0,0|0,0,1]=2 82 B4R0.3 CC(C)(N)N CNP0611679.0 [1,0,0,0,0,0|2,0,0]=3 83 B4R0.3 CC(Cl)(Cl)Cl CNP0581486.0 [1,0,0,0,0,0|3,0,0]=4 84 B4R0.3 CP(=O)(O)O CNP0605019.0 [1,0,0,0,0,0|3,0,0]=4 85 B4R0.3 CS(=O)(=O)C CNP0605129.0 [1,0,0,0,0,0|2,0,1]=4 86 B4R0.3 CS(=O)(=O)O CNP0491438.0 [1,0,0,0,0,0|3,0,0]=4 87 B4R0.3 CS(=S)(C)O CNP0608926.0 [1,0,0,0,0,0|2,0,0]=3 88 B4R0.3 C[As+](C)(C)C CNP0594598.0 [1,0,0,0,0,0|2,0,1]=4 89 B4R0.3 C[As](=O)(C)O CNP0492406.0 [1,0,0,0,0,0|2,0,0]=3 90 B4R0.3 C[As](=O)(O)O CNP0536186.0 [1,0,0,0,0,0|3,0,0]=4 91 B4R0.3 C[N+](C)(C)C CNP0519180.0 [1,0,0,0,0,0|2,0,1]=4 92 B4R0.3 C[N+](C)(C)C CNP0559650.0 [1,0,0,0,0,0|2,0,1]=4 93 B4R0.3 C[N+](C)(C)O CNP0585867.0 [1,0,0,0,0,0|1,0,1]=3 94 B4R0.3 C[N+](C)(C)[O-] CNP0598895.0 [1,0,0,0,0,0|1,0,2]=4 95 B4R0.3 C[Si](C)(C)Cl CNP0530881.0 [1,0,0,0,0,0|1,1,1]=4 96 B4R0.3 C[Si](C)(C)O CNP0575582.0 [1,0,0,0,0,0|0,1,1]=3 97 B4R0.3 C[Si](C)(O)O CNP0563438.0 [1,0,0,0,0,0|1,1,0]=3 98 B6R0.5 C=CCS(=O)(=O)C CNP0075734.0 [0,1,0,0,0,0|2,0,1]=4 99 B6R0.5 CC(C)(C)OC=O CNP0495948.0 [0,1,0,0,0,0|2,0,0]=3 100 B6R0.5 CC(C)(O)CNCl CNP0247437.0 [0,1,0,0,0,0|1,0,1]=3 101 B6R0.5 CC(C)(S)CCO CNP0215542.0 [0,1,0,0,0,0|0,1,2]=4 102 B6R0.5 CC=CC(C)(C)C CNP0120515.0 [0,1,0,0,0,0|1,0,0]=2 103 B6R0.5 CCCC(C)(C)C CNP0308764.0 [0,1,0,0,0,0|1,0,2]=4 104 B6R0.5 CCCC(C)(C)O CNP0258393.0 [0,1,0,0,0,0|0,0,2]=3 105 B6R0.5 CCOC(C)(C)C CNP0285210.0 [0,1,0,0,0,0|1,0,2]=4 106 B6R0.5 CCSC(C)(C)C CNP0186557.0 [0,1,0,0,0,0|1,0,2]=4 107 B6R0.5 C[N+](C)(C)C=C[O-] CNP0493805.0 [0,1,0,0,0,0|2,0,0]=3 108 B6R0.5 C[N+](C)(C)CC=O CNP0578871.0 [0,1,0,0,0,0|2,0,1]=4 109 B6R0.7 CC(=O)C(C)(C)Br CNP0058151.0 [0,1,0,0,0,0|1,0,1]=3 110 B6R0.7 CC(=O)C(C)(C)O CNP0323322.0 [0,1,0,0,0,0|0,0,1]=2 111 B6R0.7 CC(C)(C)C(=O)Cl CNP0610070.0 [0,1,0,0,0,0|2,0,0]=3 112 B6R0.7 CC(C)(C)C(=O)O CNP0343251.0 [0,1,0,0,0,0|2,0,0]=3 113 B6R0.7 CC(C)(Cl)[N+](=O)[O-] CNP0509261.0 [0,1,0,0,0,0|3,0,0]=4 114 B6R0.7 CC(C)(N)C(=O)O CNP0299823.0 [0,1,0,0,0,0|2,0,0]=3 115 B6R0.7 CC(C)(O)C(=O)O CNP0230065.0 [0,1,0,0,0,0|1,0,0]=2 116 B6R0.7 CC(C)C(C)(C)C CNP0107952.0 [0,1,0,0,0,0|1,0,2]=4 117 B6R0.7 CC(O)C(C)(C)O CNP0491018.0 [0,1,0,0,0,0|0,0,2]=3 118 B6R0.8 C=CC(C)(O)CC CNP0352178.0 [0,1,0,0,0,0|0,0,0]=1 119 B6R0.8 CC(C)(OO)OO CNP0338983.0 [0,1,0,0,0,0|2,0,0]=3 120 B6R0.8 CC(N)(CO)CO CNP0076432.0 [0,1,0,0,0,0|2,0,1]=4 121 B6R0.8 CCC(C)(C)CC CNP0117655.0 [0,1,0,0,0,0|1,0,2]=4 122 B6R0.8 CCC(C)(C)SC CNP0141733.0 [0,1,0,0,0,0|0,1,2]=4 123 B6R0.8 CCC(C)(O)CC CNP0314635.0 [0,1,0,0,0,0|0,0,2]=3 124 B6R0.8 CCC(C)(O)CO CNP0308368.0 [0,1,0,0,0,0|0,0,2]=3 125 B6R0.8 CC[C@@](C)(O)C#N CNP0366563.1 [0,1,0,0,0,0|1,0,1]=3 126 B6R0.8 CC[C@](C)(N)C#N CNP0302888.1 [0,1,0,0,0,0|2,0,1]=4 127 B6R0.8 CSC(C)(C)C=O CNP0126812.0 [0,1,0,0,0,0|1,1,0]=3 128 B6R0.8 CSC(C)(C)SC CNP0076175.0 [0,1,0,0,0,0|1,1,1]=4 129 B6R1.9 CC1CC1(C)C CNP0507743.0 [0,0,0,1,0,0|1,0,2]=4 130 B6R1.10 CC1(CCO1)C CNP0252865.0 [0,0,0,1,0,0|0,0,2]=3 131 B6R1.10 CC1(CCS1)C CNP0181332.0 [0,0,0,1,0,0|0,1,2]=4 132 B3R0.1 C#CCC CNP0509561.0 [2,0,0,0,0,0|0,0,2]=4 133 B3R0.1 C#CCO CNP0488604.0 [2,0,0,0,0,0|0,0,2]=4 134 B3R0.1 C#[N+]CC CNP0559170.0 [2,0,0,0,0,0|1,0,1]=4 135 B3R0.1 C=C=CC CNP0584937.0 [2,0,0,0,0,0|0,0,2]=4 136 B3R0.1 C=CC#N CNP0580732.0 [2,0,0,0,0,0|1,0,1]=4 137 B3R0.1 C=CC=C CNP0574781.0 [2,0,0,0,0,0|0,0,2]=4 138 B3R0.1 C=CC=O CNP0603221.0 [2,0,0,0,0,0|0,0,2]=4 139 B3R0.1 C=CC=S CNP0501678.0 [2,0,0,0,0,0|0,1,1]=4 140 B3R0.1 C=CCC CNP0490956.0 [2,0,0,0,0,0|0,0,0]=2 141 B3R0.1 C=CCN CNP0585503.0 [2,0,0,0,0,0|1,0,0]=3 142 B3R0.1 C=CCO CNP0561492.0 [2,0,0,0,0,0|0,0,0]=2 143 B3R0.1 C=CCS CNP0575677.0 [2,0,0,0,0,0|0,1,0]=3 144 B3R0.1 C=COC CNP0611794.0 [2,0,0,0,0,0|1,0,0]=3 145 B3R0.1 CC=CBr CNP0509639.0 [2,0,0,0,0,0|1,0,1]=4 146 B3R0.1 CC=CC CNP0597271.0 [2,0,0,0,0,0|0,0,2]=4 147 B3R0.1 CC=CS CNP0589530.0 [2,0,0,0,0,0|1,0,1]=4 148 B3R0.1 CC=NO CNP0512137.0 [2,0,0,0,0,0|1,0,1]=4 149 B3R0.1 CCC#N CNP0564998.0 [2,0,0,0,0,0|1,0,1]=4 150 B3R0.1 CCC=O CNP0570013.0 [2,0,0,0,0,0|1,0,0]=3 151 B3R0.1 CCC=S CNP0546828.0 [2,0,0,0,0,0|1,0,0]=3 152 B3R0.1 CCCBr CNP0561445.0 [2,0,0,0,0,0|1,0,1]=4 153 B3R0.1 CCCC CNP0597736.0 [2,0,0,0,0,0|0,0,2]=4 154 B3R0.1 CCCI CNP0596010.0 [2,0,0,0,0,0|1,0,1]=4 155 B3R0.1 CCCN CNP0600530.0 [2,0,0,0,0,0|1,0,1]=4 156 B3R0.1 CCCO CNP0605151.0 [2,0,0,0,0,0|0,0,2]=4 157 B3R0.1 CCCS CNP0572992.0 [2,0,0,0,0,0|1,0,1]=4 158 B3R0.1 CCN=O CNP0552947.0 [2,0,0,0,0,0|2,0,0]=4 159 B3R0.1 CCNC CNP0563252.0 [2,0,0,0,0,0|1,0,1]=4 160 B3R0.1 CCOC CNP0484105.0 [2,0,0,0,0,0|1,0,1]=4 161 B3R0.1 CCOO CNP0591807.0 [2,0,0,0,0,0|2,0,0]=4 162 B3R0.1 CCSC CNP0596541.0 [2,0,0,0,0,0|1,0,1]=4 163 B3R0.1 CCSO CNP0559716.0 [2,0,0,0,0,0|2,0,0]=4 164 B3R0.1 CNC=O CNP0565671.0 [2,0,0,0,0,0|2,0,0]=4 165 B3R0.1 COC=O CNP0494242.0 [2,0,0,0,0,0|2,0,0]=4 166 B3R0.1 N=CCN CNP0547283.0 [2,0,0,0,0,0|2,0,0]=4 167 B3R0.1 NCC=O CNP0566697.0 [2,0,0,0,0,0|2,0,0]=4 168 B3R0.1 NCCO CNP0581653.0 [2,0,0,0,0,0|1,0,1]=4 169 B3R0.1 O=CCBr CNP0516788.0 [2,0,0,0,0,0|2,0,0]=4 170 B3R0.1 O=CCO CNP0600524.0 [2,0,0,0,0,0|1,0,0]=3 171 B3R0.1 O=CCS CNP0591045.0 [2,0,0,0,0,0|1,1,0]=4 172 B3R0.1 OC=CO CNP0508859.0 [2,0,0,0,0,0|1,0,1]=4 173 B3R0.1 OCCCl CNP0532317.0 [2,0,0,0,0,0|1,0,1]=4 174 B3R0.1 OCCI CNP0489668.0 [2,0,0,0,0,0|1,0,1]=4 175 B3R0.1 OCCO CNP0484938.0 [2,0,0,0,0,0|1,0,1]=4 176 B3R0.1 OCCS CNP0576505.0 [2,0,0,0,0,0|1,0,1]=4 177 B3R0.2 C=C(C)C CNP0512482.0 [2,0,0,0,0,0|0,0,1]=3 178 B3R0.2 C=C(C)O CNP0514997.0 [2,0,0,0,0,0|0,0,1]=3 179 B3R0.2 CC(=O)C CNP0572494.0 [2,0,0,0,0,0|0,0,2]=4 180 B3R0.2 CC(=O)O CNP0495539.0 [2,0,0,0,0,0|1,0,1]=4 181 B3R0.2 CC(C)C CNP0580677.0 [2,0,0,0,0,0|0,0,1]=3 182 B3R0.2 CC(C)I CNP0515098.0 [2,0,0,0,0,0|1,0,0]=3 183 B3R0.2 CC(C)N CNP0574231.0 [2,0,0,0,0,0|1,0,0]=3 184 B3R0.2 CC(C)O CNP0603430.0 [2,0,0,0,0,0|0,0,0]=2 185 B3R0.2 CC(C)S CNP0483016.0 [2,0,0,0,0,0|0,1,0]=3 186 B3R0.2 CN(C)C CNP0522907.0 [2,0,0,0,0,0|1,0,1]=4 187 B3R0.2 CN(C)N CNP0573264.0 [2,0,0,0,0,0|2,0,0]=4 188 B3R0.2 CP(=O)O CNP0480086.0 [2,0,0,0,0,0|2,0,0]=4 189 B3R0.2 CP(C)C CNP0586622.0 [2,0,0,0,0,0|1,0,1]=4 190 B3R0.2 CS(=S)O CNP0609306.0 [2,0,0,0,0,0|2,0,0]=4 191 B3R0.2 C[As](C)C CNP0539997.0 [2,0,0,0,0,0|1,0,1]=4 192 B3R0.2 C[As](C)O CNP0541907.0 [2,0,0,0,0,0|1,0,0]=3 193 B3R0.2 C[As](O)O CNP0579708.0 [2,0,0,0,0,0|2,0,0]=4 194 B3R0.2 C[S+](C)C CNP0555694.0 [2,0,0,0,0,0|1,0,1]=4 195 B3R0.2 C[S+](C)[O-] CNP0499675.0 [2,0,0,0,0,0|1,0,1]=4 196 B3R0.2 C[Se+](C)C CNP0504179.0 [2,0,0,0,0,0|1,0,1]=4 197 B3R0.2 C[SeH2](=[Se])C CNP0610734.0 [2,0,0,0,0,0|1,1,0]=4 198 B3R0.2 C[SeH](C)[SeH] CNP0608908.0 [2,0,0,0,0,0|1,1,0]=4 199 B3R0.2 C[Se](=O)O CNP0501647.0 [2,0,0,0,0,0|2,0,0]=4 200 B3R0.2 OC(O)O CNP0594478.0 [2,0,0,0,0,0|2,0,0]=4 201 B3R0.2 [CH2]C(C)C CNP0571096.0 [2,0,0,0,0,0|0,0,1]=3 202 B5R0.1 C=C(C)C=CC CNP0348667.0 [1,1,0,0,0,0|0,0,2]=4 203 B5R0.1 C=CC=C(C)C CNP0130651.0 [1,1,0,0,0,0|0,0,1]=3 204 B5R0.1 C=CCC(=O)C CNP0385825.0 [1,1,0,0,0,0|0,0,2]=4 205 B5R0.1 C=CCC(=O)O CNP0172155.0 [1,1,0,0,0,0|1,0,1]=4 206 B5R0.1 C=CCC(C)C CNP0293683.0 [1,1,0,0,0,0|0,0,0]=2 207 B5R0.1 C=CCC(C)O CNP0594112.0 [1,1,0,0,0,0|0,0,0]=2 208 B5R0.1 C=CCS(=S)O CNP0533091.0 [1,1,0,0,0,0|2,0,0]=4 209 B5R0.1 C=CC[S@+](C)[O-] CNP0483153.2 [1,1,0,0,0,0|1,0,1]=4 210 B5R0.1 C=CC[S@@+](C)[O-] CNP0483153.1 [1,1,0,0,0,0|1,0,1]=4 211 B5R0.1 C=COC(=O)C CNP0003526.0 [1,1,0,0,0,0|0,0,2]=4 212 B5R0.1 C=COC(C)C CNP0491165.0 [1,1,0,0,0,0|0,0,0]=2 213 B5R0.1 CC(=CC#N)C CNP0294715.0 [1,1,0,0,0,0|0,0,2]=4 214 B5R0.1 CC(=CC=O)C CNP0325416.0 [1,1,0,0,0,0|0,0,1]=3 215 B5R0.1 CC(=CCO)C CNP0241702.0 [1,1,0,0,0,0|0,0,2]=4 216 B5R0.1 CC(=CCS)C CNP0262600.0 [1,1,0,0,0,0|0,0,2]=4 217 B5R0.1 CC(C)C=CO CNP0546358.0 [1,1,0,0,0,0|0,0,0]=2 218 B5R0.1 CC(C)C=NO CNP0180575.0 [1,1,0,0,0,0|1,0,0]=3 219 B5R0.1 CC(C)CC#N CNP0003467.0 [1,1,0,0,0,0|0,0,2]=4 220 B5R0.1 CC(C)CC=O CNP0200023.0 [1,1,0,0,0,0|0,0,1]=3 221 B5R0.1 CC(C)CCN CNP0107663.0 [1,1,0,0,0,0|0,0,2]=4 222 B5R0.1 CC(C)CCO CNP0115711.0 [1,1,0,0,0,0|0,0,2]=4 223 B5R0.1 CC(C)CCS CNP0222694.0 [1,1,0,0,0,0|0,0,2]=4 224 B5R0.1 CC(C)CNO CNP0343206.0 [1,1,0,0,0,0|1,0,1]=4 225 B5R0.1 CC(C)N=C=O CNP0495487.0 [1,1,0,0,0,0|1,0,1]=4 226 B5R0.1 CC(C)N=C=S CNP0332549.0 [1,1,0,0,0,0|1,0,1]=4 227 B5R0.1 CC(C)OC=O CNP0079775.0 [1,1,0,0,0,0|1,0,0]=3 228 B5R0.1 CC(C)ON=N CNP0504626.0 [1,1,0,0,0,0|2,0,0]=4 229 B5R0.1 CC(O)CCS CNP0002409.0 [1,1,0,0,0,0|0,0,2]=4 230 B5R0.1 CC=CC(=O)C CNP0158055.0 [1,1,0,0,0,0|0,0,2]=4 231 B5R0.1 CC=CC(=O)O CNP0379669.0 [1,1,0,0,0,0|1,0,1]=4 232 B5R0.1 CC=CC(C)C CNP0513218.0 [1,1,0,0,0,0|0,0,0]=2 233 B5R0.1 CC=CC(C)O CNP0150168.0 [1,1,0,0,0,0|0,0,0]=2 234 B5R0.1 CC=CS(=S)O CNP0498878.0 [1,1,0,0,0,0|2,0,0]=4 235 B5R0.1 CCC=C(C)C CNP0331653.0 [1,1,0,0,0,0|0,0,2]=4 236 B5R0.1 CCC=C(C)O CNP0225775.0 [1,1,0,0,0,0|0,0,2]=4 237 B5R0.1 CCCC(C)C CNP0319065.0 [1,1,0,0,0,0|0,0,2]=4 238 B5R0.1 CCC[C@@H](C)O CNP0287976.1 [1,1,0,0,0,0|0,0,2]=4 239 B5R0.1 CCC[C@H](C)O CNP0287976.2 [1,1,0,0,0,0|0,0,2]=4 240 B5R0.1 CCOC(C)C CNP0604172.0 [1,1,0,0,0,0|0,0,2]=4 241 B5R0.1 CCSC(C)C CNP0254931.0 [1,1,0,0,0,0|0,0,2]=4 242 B5R0.1 CN=CC(C)C CNP0149349.0 [1,1,0,0,0,0|0,0,1]=3 243 B5R0.1 CNCC(C)C CNP0273998.0 [1,1,0,0,0,0|0,0,2]=4 244 B5R0.1 COCC(C)C CNP0528468.0 [1,1,0,0,0,0|0,0,2]=4 245 B5R0.1 CSCC(C)C CNP0405087.0 [1,1,0,0,0,0|0,0,2]=4 246 B5R0.1 CSSC(C)C CNP0267830.0 [1,1,0,0,0,0|1,0,1]=4 247 B5R0.1 C[C@@H](O)CC#N CNP0115714.1 [1,1,0,0,0,0|0,0,2]=4 248 B5R0.1 C[C@@H](O)CC=O CNP0197470.1 [1,1,0,0,0,0|0,0,1]=3 249 B5R0.1 C[C@@H](O)CCO CNP0110972.2 [1,1,0,0,0,0|0,0,2]=4 250 B5R0.1 C[C@H](O)CCO CNP0110972.1 [1,1,0,0,0,0|0,0,2]=4 251 B5R0.1 O=C(O)C=CBr CNP0310992.0 [1,1,0,0,0,0|1,0,1]=4 252 B5R0.1 O=C(O)C=CCl CNP0293481.0 [1,1,0,0,0,0|1,0,1]=4 253 B5R0.1 O=C(O)C=CI CNP0239582.0 [1,1,0,0,0,0|1,0,1]=4 254 B5R0.3 C=CC(=CC)C CNP0134384.0 [1,1,0,0,0,0|0,0,1]=3 255 B5R0.3 C=CC(=O)CC CNP0362181.0 [1,1,0,0,0,0|0,0,2]=4 256 B5R0.3 C=CC(=O)OC CNP0217866.0 [1,1,0,0,0,0|0,0,2]=4 257 B5R0.3 C=C[C@@H](O)C#N CNP0141220.1 [1,1,0,0,0,0|0,0,1]=3 258 B5R0.3 C=C[C@@H](O)CC CNP0331558.1 [1,1,0,0,0,0|0,0,0]=2 259 B5R0.3 C=C[C@H](C)CO CNP0600503.1 [1,1,0,0,0,0|0,0,0]=2 260 B5R0.3 C=C[C@H](O)C#N CNP0141220.2 [1,1,0,0,0,0|0,0,1]=3 261 B5R0.3 C=C[C@H](O)CC CNP0331558.2 [1,1,0,0,0,0|0,0,0]=2 262 B5R0.3 CC(CO)CO CNP0282467.0 [1,1,0,0,0,0|1,0,1]=4 263 B5R0.3 CC=C(C)C=O CNP0281160.0 [1,1,0,0,0,0|1,0,1]=4 264 B5R0.3 CC=C(C)CC CNP0247687.0 [1,1,0,0,0,0|0,0,2]=4 265 B5R0.3 CC=C(C)CO CNP0120418.0 [1,1,0,0,0,0|0,0,2]=4 266 B5R0.3 CCC(=CS)C CNP0025997.0 [1,1,0,0,0,0|1,0,1]=4 267 B5R0.3 CCC(C)CC CNP0316485.0 [1,1,0,0,0,0|0,0,2]=4 268 B5R0.3 CCC(C)CS CNP0003009.0 [1,1,0,0,0,0|0,0,2]=4 269 B5R0.3 CCC(O)CC CNP0293075.0 [1,1,0,0,0,0|0,0,2]=4 270 B5R0.3 CCC(O)CCl CNP0366953.0 [1,1,0,0,0,0|0,0,2]=4 271 B5R0.3 CCC(O)CO CNP0534149.0 [1,1,0,0,0,0|0,0,2]=4 272 B5R0.3 CC[C@@H](C)C=O CNP0220551.2 [1,1,0,0,0,0|1,0,0]=3 273 B5R0.3 CC[C@@H](C)CO CNP0185673.1 [1,1,0,0,0,0|0,0,2]=4 274 B5R0.3 CC[C@H](C)C#N CNP0343114.1 [1,1,0,0,0,0|1,0,1]=4 275 B5R0.3 CC[C@H](C)C=O CNP0220551.1 [1,1,0,0,0,0|1,0,0]=3 276 B5R0.3 CC[C@H](C)CN CNP0233909.1 [1,1,0,0,0,0|0,0,2]=4 277 B5R0.3 CC[C@H](C)CO CNP0185673.2 [1,1,0,0,0,0|0,0,2]=4 278 B5R0.3 CC[C@H](C)NC CNP0236959.1 [1,1,0,0,0,0|0,0,2]=4 279 B5R0.3 CN(C=O)CO CNP0412364.0 [1,1,0,0,0,0|2,0,0]=4 280 B5R0.3 COC(C)CO CNP0485411.0 [1,1,0,0,0,0|1,0,1]=4 281 B5R0.3 COC(C)OC CNP0122626.0 [1,1,0,0,0,0|1,0,1]=4 282 B5R0.3 CSC(C)SC CNP0610569.0 [1,1,0,0,0,0|1,0,1]=4 283 B5R0.3 O=CC(O)C=O CNP0083225.0 [1,1,0,0,0,0|1,0,1]=4 284 B5R0.3 O=C[C@H](O)CO CNP0359959.1 [1,1,0,0,0,0|1,0,0]=3 285 B5R0.3 OC(CBr)CBr CNP0017512.0 [1,1,0,0,0,0|1,0,1]=4 286 B5R0.3 OC(CCl)CCl CNP0294183.0 [1,1,0,0,0,0|1,0,1]=4 287 B5R0.3 OC(CI)CI CNP0161531.0 [1,1,0,0,0,0|1,0,1]=4 288 B5R0.3 OC(CP)CP CNP0345632.0 [1,1,0,0,0,0|1,0,1]=4 289 B5R0.3 OCC(O)CCl CNP0334066.0 [1,1,0,0,0,0|1,0,1]=4 290 B5R0.3 OCC(O)CO CNP0259986.0 [1,1,0,0,0,0|1,0,1]=4 291 B5R0.3 OC[C@@H](O)CS CNP0570311.1 [1,1,0,0,0,0|1,0,1]=4 292 B5R0.3 OC[C@H](O)CI CNP0103876.1 [1,1,0,0,0,0|1,0,1]=4 293 B5R0.3 O[C@@H](CCl)CI CNP0018029.1 [1,1,0,0,0,0|1,0,1]=4 294 B5R0.5 C=C(C)C(=C)C CNP0186706.0 [1,1,0,0,0,0|0,0,2]=4 295 B5R0.5 C=C(C)C(=O)C CNP0137327.0 [1,1,0,0,0,0|0,0,2]=4 296 B5R0.5 C=C(C)C(=O)O CNP0147624.0 [1,1,0,0,0,0|1,0,1]=4 297 B5R0.5 C=C(C)[C@@H](C)O CNP0221154.1 [1,1,0,0,0,0|0,0,0]=2 298 B5R0.5 C=C(C)[C@H](C)O CNP0221154.2 [1,1,0,0,0,0|0,0,0]=2 299 B5R0.5 C=C(Cl)C(=O)O CNP0239649.0 [1,1,0,0,0,0|1,0,1]=4 300 B5R0.5 C=C(N)C(=O)O CNP0224979.0 [1,1,0,0,0,0|1,0,1]=4 301 B5R0.5 C=C(O)C(=O)O CNP0422136.0 [1,1,0,0,0,0|1,0,1]=4 302 B5R0.5 C=C(O)C(C)C CNP0150035.0 [1,1,0,0,0,0|0,0,0]=2 303 B5R0.5 CC(=C(C)C)C CNP0192659.0 [1,1,0,0,0,0|0,0,2]=4 304 B5R0.5 CC(=C(C)O)C CNP0164530.0 [1,1,0,0,0,0|0,0,2]=4 305 B5R0.5 CC(=O)C(C)C CNP0209504.0 [1,1,0,0,0,0|0,0,1]=3 306 B5R0.5 CC(=O)C(C)S CNP0409589.0 [1,1,0,0,0,0|0,1,1]=4 307 B5R0.5 CC(=O)C(O)O CNP0547141.0 [1,1,0,0,0,0|1,0,1]=4 308 B5R0.5 CC(=O)N(C)C CNP0083052.0 [1,1,0,0,0,0|1,0,1]=4 309 B5R0.5 CC(=O)[C@@H](C)O CNP0395416.2 [1,1,0,0,0,0|0,0,1]=3 310 B5R0.5 CC(=O)[C@H](C)O CNP0395416.1 [1,1,0,0,0,0|0,0,1]=3 311 B5R0.5 CC(C)C(=O)Cl CNP0337045.0 [1,1,0,0,0,0|1,0,0]=3 312 B5R0.5 CC(C)C(=O)N CNP0226996.0 [1,1,0,0,0,0|1,0,0]=3 313 B5R0.5 CC(C)C(=O)O CNP0197560.0 [1,1,0,0,0,0|1,0,0]=3 314 B5R0.5 CC(C)C(C)C CNP0183010.0 [1,1,0,0,0,0|0,0,2]=4 315 B5R0.5 CC(C)N(C)C CNP0419243.0 [1,1,0,0,0,0|1,0,1]=4 316 B5R0.5 CC(C)[C@@H](C)N CNP0573557.1 [1,1,0,0,0,0|0,0,2]=4 317 B5R0.5 CC(C)[C@@H](C)O CNP0315380.1 [1,1,0,0,0,0|0,0,2]=4 318 B5R0.5 CC(C)[C@@H](C)S CNP0316317.1 [1,1,0,0,0,0|0,0,2]=4 319 B5R0.5 CC(C)[C@H](C)O CNP0315380.2 [1,1,0,0,0,0|0,0,2]=4 320 B5R0.5 CC(C)[N+](=O)[O-] CNP0587963.0 [1,1,0,0,0,0|2,0,0]=4 321 B5R0.5 CC(O)C(=O)[O-] CNP0519619.0 [1,1,0,0,0,0|1,0,0]=3 322 B5R0.5 CC(O)C(=O)[O-] CNP0556254.0 [1,1,0,0,0,0|1,0,0]=3 323 B5R0.5 CC(O)C(=O)[O-] CNP0561690.0 [1,1,0,0,0,0|1,0,0]=3 324 B5R0.5 CC(O)C(=O)[O-] CNP0579849.0 [1,1,0,0,0,0|1,0,0]=3 325 B5R0.5 CC(O)C(=O)[O-] CNP0592207.0 [1,1,0,0,0,0|1,0,0]=3 326 B5R0.5 CC(O)C(C)S CNP0002511.0 [1,1,0,0,0,0|0,0,2]=4 327 B5R0.5 CN(C)C(=N)N CNP0155822.0 [1,1,0,0,0,0|2,0,0]=4 328 B5R0.5 CN(C)C(=S)S CNP0033815.0 [1,1,0,0,0,0|2,0,0]=4 329 B5R0.5 C[C@@H](N)C(=O)O CNP0313085.2 [1,1,0,0,0,0|2,0,0]=4 330 B5R0.5 C[C@@H](O)C(=O)O CNP0232038.2 [1,1,0,0,0,0|1,0,0]=3 331 B5R0.5 C[C@@H](O)[C@@H](C)O CNP0115674.2 [1,1,0,0,0,0|0,0,2]=4 332 B5R0.5 C[C@H](N)C(=O)O CNP0313085.1 [1,1,0,0,0,0|2,0,0]=4 333 B5R0.5 C[C@H](O)C(=O)O CNP0232038.1 [1,1,0,0,0,0|1,0,0]=3 334 B5R0.5 C[C@H](O)C(Br)Br CNP0106114.1 [1,1,0,0,0,0|1,0,1]=4 335 B5R0.5 C[C@H](O)[C@@H](C)O CNP0115674.1 [1,1,0,0,0,0|0,0,2]=4 336 B5R0.5 C[C@H](O)[C@H](C)O CNP0115674.3 [1,1,0,0,0,0|0,0,2]=4 337 B5R0.5 C[C@H](S)C(=O)O CNP0223404.1 [1,1,0,0,0,0|1,1,0]=4 338 B5R0.5 N[C@H](O)C(=O)O CNP0294076.1 [1,1,0,0,0,0|2,0,0]=4 339 B5R0.5 O=C(O)C(O)O CNP0603869.0 [1,1,0,0,0,0|2,0,0]=4 340 B7R0.8 C=CCC[N+](C)(C)C CNP0507277.0 [0,2,0,0,0,0|2,0,0]=4 341 B7R0.8 CC(C)(C)C#CC=O CNP0610546.0 [0,2,0,0,0,0|1,0,1]=4 342 B7R0.8 CC(C)(C)C=CC=O CNP0514771.0 [0,2,0,0,0,0|1,0,0]=3 343 B7R0.8 CC(C)(O)C=C=C=O CNP0252745.0 [0,2,0,0,0,0|0,0,1]=3 344 B7R0.9 C=C(C)CC(C)(C)C CNP0205743.0 [0,2,0,0,0,0|1,0,0]=3 345 B7R0.9 CC(=O)CC(C)(C)N CNP0308677.0 [0,2,0,0,0,0|1,0,1]=4 346 B7R0.9 CC(=O)CC(C)(C)O CNP0333881.0 [0,2,0,0,0,0|0,0,1]=3 347 B7R0.9 CC(=O)CC(C)(C)S CNP0003365.0 [0,2,0,0,0,0|0,1,1]=4 348 B7R0.9 CC(C)(C)NC(=O)N CNP0541950.0 [0,2,0,0,0,0|2,0,0]=4 349 B7R0.9 CC(C)(O)CC(=O)O CNP0284455.0 [0,2,0,0,0,0|0,0,1]=3 350 B7R0.9 CC(C)CC(C)(C)O CNP0085669.0 [0,2,0,0,0,0|0,0,2]=4 351 B7R0.9 CN(C)CC(C)(C)O CNP0312346.0 [0,2,0,0,0,0|0,0,2]=4 352 B7R0.9 C[C@@H](O)CC(C)(C)O CNP0352838.2 [0,2,0,0,0,0|0,0,2]=4 353 B7R0.9 C[C@H](O)CC(C)(C)O CNP0352838.1 [0,2,0,0,0,0|0,0,2]=4 354 B7R0.11 CCCC(C)(O)CC CNP0493821.0 [0,2,0,0,0,0|0,0,2]=4 355 B7R0.11 CCOC(C)(C)CC CNP0167701.0 [0,2,0,0,0,0|0,0,2]=4 356 B7R0.11 CCOC(C)(C)OC CNP0608393.0 [0,2,0,0,0,0|0,0,2]=4 357 B7R0.11 CSC(C)(C)C=NO CNP0236630.0 [0,2,0,0,0,0|1,0,1]=4 358 B7R0.11 CSSC(C)(C)C=O CNP0002675.0 [0,2,0,0,0,0|1,1,0]=4 359 B7R0.11 [C-]#[N+]CC(C)(C)OC CNP0586088.0 [0,2,0,0,0,0|0,0,2]=4 360 B7R0.14 CC(C)(C)C(=O)C=O CNP0298052.0 [0,2,0,0,0,0|1,0,0]=3 361 B7R0.14 COC(=O)C(C)(C)O CNP0269144.0 [0,2,0,0,0,0|0,0,1]=3 362 B7R0.13 C=CC(C)(C)C(=C)C CNP0086467.0 [0,2,0,0,0,0|1,0,0]=3 363 B7R0.13 C=C[C@@](C)(O)C(C)C CNP0249096.1 [0,2,0,0,0,0|0,0,0]=2 364 B7R0.13 CC(C)(CO)C(=O)O CNP0611685.0 [0,2,0,0,0,0|1,0,0]=3 365 B7R0.13 CC(O)(CO)C(=O)O CNP0027858.0 [0,2,0,0,0,0|1,0,0]=3 366 B7R0.13 CCC(C)(C)C(=O)O CNP0573336.0 [0,2,0,0,0,0|0,0,2]=4 367 B7R0.13 CC[C@@](C)(N)C(=O)O CNP0244941.2 [0,2,0,0,0,0|2,0,0]=4 368 B7R0.13 CC[C@@](C)(O)C(=O)N CNP0151624.1 [0,2,0,0,0,0|1,0,0]=3 369 B7R0.13 CC[C@@](C)(O)C(=O)O CNP0382124.1 [0,2,0,0,0,0|1,0,0]=3 370 B7R0.13 CC[C@](C)(N)C(=O)O CNP0244941.1 [0,2,0,0,0,0|2,0,0]=4 371 B7R0.13 CC[C@](C)(O)C(=O)O CNP0382124.2 [0,2,0,0,0,0|1,0,0]=3 372 B7R0.13 CNC(C)(C)C(=O)O CNP0083839.0 [0,2,0,0,0,0|1,0,1]=4 373 B7R0.13 C[C@@H](O)[C@@](C)(O)CN CNP0540004.1 [0,2,0,0,0,0|0,0,2]=4 374 B7R0.13 C[C@@](N)(CO)C(=O)O CNP0259604.2 [0,2,0,0,0,0|2,0,0]=4 375 B7R0.13 C[C@](N)(CO)C(=O)O CNP0259604.1 [0,2,0,0,0,0|2,0,0]=4 376 B7R0.17 CC(C)(O)C(C)(C)O CNP0386051.0 [0,2,0,0,0,0|0,0,2]=4 377 B7R0.17 CC(C)(O)C(Cl)(Cl)Cl CNP0271602.0 [0,2,0,0,0,0|1,0,1]=4 378 B7R0.18 COC(C)(CBr)OC CNP0018572.0 [0,2,0,0,0,0|1,0,1]=4 379 B5R1.2 CC1CCC1 CNP0546383.0 [1,0,0,1,0,0|0,0,2]=4 380 B5R1.2 OC1CCC1 CNP0562500.0 [1,0,0,1,0,0|0,0,2]=4 381 B5R1.3 CC=C1CC1 CNP0594561.0 [1,0,0,1,0,0|0,0,2]=4 382 B5R1.3 ClC[C@@H]1CO1 CNP0569559.2 [1,0,0,1,0,0|1,0,1]=4 383 B5R1.3 ClC[C@H]1CO1 CNP0569559.1 [1,0,0,1,0,0|1,0,1]=4 384 B5R1.3 OCC1CC1 CNP0604045.0 [1,0,0,1,0,0|1,0,1]=4 385 B5R1.3 OCC1CO1 CNP0517243.0 [1,0,0,1,0,0|1,0,1]=4 386 B5R1.4 CC1OC1C CNP0609093.0 [1,0,0,1,0,0|0,0,2]=4 387 B5R1.5 CC1(CO1)C CNP0494243.0 [1,0,0,1,0,0|1,0,1]=4 388 B7R1.14 CC1(CC=CO1)O CNP0512442.0 [0,1,0,1,0,0|0,0,0]=2 389 B7R1.14 CC1(CCCC1)O CNP0579828.0 [0,1,0,1,0,0|0,0,2]=4 390 B7R1.23 CCC1OC1(C)C CNP0495056.0 [0,1,0,1,0,0|0,0,2]=4 391 B7R1.17 C[C@]1(CCC1=O)O CNP0198495.1 [0,1,0,1,0,0|0,0,1]=3 392 B7R1.19 NC1(CC1)C(=O)O CNP0418127.0 [0,1,0,1,0,0|2,0,0]=4 393 B7R1.25 CCC1(CCC1)O CNP0591933.0 [0,1,0,1,0,0|0,0,2]=4