0 B4R0.2 C#CC=CC CNP0541501.0 [0,0,0,0,0,0|1,0,3]=4 1 B4R0.2 C#CCC=O CNP0596193.0 [0,0,0,0,0,0|0,0,2]=2 2 B4R0.2 C#CCCC CNP0510243.0 [0,0,0,0,0,0|1,0,1]=2 3 B4R0.2 C#CCCO CNP0577358.0 [0,0,0,0,0,0|2,0,1]=3 4 B4R0.2 C=C=C=C=O CNP0521230.0 [0,0,0,0,0,0|0,0,4]=4 5 B4R0.2 C=C=CCC CNP0484675.0 [0,0,0,0,0,0|1,0,2]=3 6 B4R0.2 C=CC=CC CNP0501543.0 [0,0,0,0,0,0|1,0,2]=3 7 B4R0.2 C=CC=NO CNP0532391.0 [0,0,0,0,0,0|3,0,1]=4 8 B4R0.2 C=CCC#N CNP0498043.0 [0,0,0,0,0,0|2,0,1]=3 9 B4R0.2 C=CCC=C CNP0494589.0 [0,0,0,0,0,0|1,0,2]=3 10 B4R0.2 C=CCCC CNP0529271.0 [0,0,0,0,0,0|1,0,0]=1 11 B4R0.2 C=CCCN CNP0493733.0 [0,0,0,0,0,0|2,0,0]=2 12 B4R0.2 C=CCCO CNP0599473.0 [0,0,0,0,0,0|2,0,0]=2 13 B4R0.2 C=CCSC CNP0572475.0 [0,0,0,0,0,0|2,0,0]=2 14 B4R0.2 C=CCSO CNP0600527.0 [0,0,0,0,0,0|3,0,0]=3 15 B4R0.2 C=CC[Se]C CNP0612039.0 [0,0,0,0,0,0|2,0,0]=2 16 B4R0.2 C=COCC CNP0567970.0 [0,0,0,0,0,0|2,0,0]=2 17 B4R0.2 C=CSC=C CNP0525399.0 [0,0,0,0,0,0|2,0,2]=4 18 B4R0.2 C=CSCC CNP0581257.0 [0,0,0,0,0,0|2,0,0]=2 19 B4R0.2 C=NCC#N CNP0567708.0 [0,0,0,0,0,0|2,0,2]=4 20 B4R0.2 CC#CCC CNP0516358.0 [0,0,0,0,0,0|1,0,2]=3 21 B4R0.2 CC=CC#N CNP0588304.0 [0,0,0,0,0,0|1,0,3]=4 22 B4R0.2 CC=CC=O CNP0576575.0 [0,0,0,0,0,0|0,0,2]=2 23 B4R0.2 CC=CCC CNP0524560.0 [0,0,0,0,0,0|1,0,1]=2 24 B4R0.2 CC=CCO CNP0498228.0 [0,0,0,0,0,0|2,0,1]=3 25 B4R0.2 CC=CCS CNP0606069.0 [0,0,0,0,0,0|2,0,1]=3 26 B4R0.2 CC=CSC CNP0587371.0 [0,0,0,0,0,0|2,0,1]=3 27 B4R0.2 CC=CSO CNP0521494.0 [0,0,0,0,0,0|1,0,3]=4 28 B4R0.2 CCC#CO CNP0612045.0 [0,0,0,0,0,0|0,0,3]=3 29 B4R0.2 CCC=NO CNP0599998.0 [0,0,0,0,0,0|1,0,2]=3 30 B4R0.2 CCC=S=O CNP0514855.0 [0,0,0,0,0,0|1,0,1]=2 31 B4R0.2 CCCC=O CNP0518034.0 [0,0,0,0,0,0|0,0,0]=0 32 B4R0.2 CCCCC CNP0486380.0 [0,0,0,0,0,0|1,0,1]=2 33 B4R0.2 CCCCI CNP0558480.0 [0,0,0,0,0,0|1,0,1]=2 34 B4R0.2 CCCCN CNP0597509.0 [0,0,0,0,0,0|1,0,1]=2 35 B4R0.2 CCCCO CNP0505612.0 [0,0,0,0,0,0|0,0,2]=2 36 B4R0.2 CCCCS CNP0598878.0 [0,0,0,0,0,0|0,1,1]=2 37 B4R0.2 CCCNC CNP0599313.0 [0,0,0,0,0,0|2,0,0]=2 38 B4R0.2 CCCOC CNP0609062.0 [0,0,0,0,0,0|2,0,0]=2 39 B4R0.2 CCCSC CNP0481317.0 [0,0,0,0,0,0|2,0,0]=2 40 B4R0.2 CCCSO CNP0594110.0 [0,0,0,0,0,0|1,0,1]=2 41 B4R0.2 CCN=C=S CNP0601773.0 [0,0,0,0,0,0|1,1,1]=3 42 B4R0.2 CCNCC CNP0491960.0 [0,0,0,0,0,0|2,0,1]=3 43 B4R0.2 CCOC=O CNP0525155.0 [0,0,0,0,0,0|1,0,0]=1 44 B4R0.2 CCOCC CNP0572765.0 [0,0,0,0,0,0|2,0,1]=3 45 B4R0.2 CCON=O CNP0596964.0 [0,0,0,0,0,0|2,0,0]=2 46 B4R0.2 CCSC#N CNP0540962.0 [0,0,0,0,0,0|2,0,1]=3 47 B4R0.2 CCSCC CNP0518873.0 [0,0,0,0,0,0|2,0,1]=3 48 B4R0.2 CCSSC CNP0571147.0 [0,0,0,0,0,0|3,0,0]=3 49 B4R0.2 CN=CC=S CNP0547393.0 [0,0,0,0,0,0|1,1,1]=3 50 B4R0.2 CNCCN CNP0496542.0 [0,0,0,0,0,0|2,0,1]=3 51 B4R0.2 CNCCO CNP0513801.0 [0,0,0,0,0,0|1,0,2]=3 52 B4R0.2 COCCI CNP0495552.0 [0,0,0,0,0,0|2,0,1]=3 53 B4R0.2 COCCO CNP0561250.0 [0,0,0,0,0,0|1,0,2]=3 54 B4R0.2 COCC[Si] CNP0501162.0 [0,0,0,0,0,0|2,0,1]=3 55 B4R0.2 CSCC=O CNP0555203.0 [0,0,0,0,0,0|1,0,0]=1 56 B4R0.2 CSCCO CNP0574269.0 [0,0,0,0,0,0|1,0,2]=3 57 B4R0.2 CSCSC CNP0591427.0 [0,0,0,0,0,0|3,0,0]=3 58 B4R0.2 CSSSC CNP0486985.0 [0,0,0,0,0,0|4,0,0]=4 59 B4R0.2 CS[Se]SC CNP0608554.0 [0,0,0,0,0,0|4,0,0]=4 60 B4R0.2 ClC=CCCl CNP0530301.0 [0,0,0,0,0,0|2,0,1]=3 61 B4R0.2 N#CCCN CNP0502764.0 [0,0,0,0,0,0|2,0,1]=3 62 B4R0.2 NCCC=O CNP0502520.0 [0,0,0,0,0,0|1,0,0]=1 63 B4R0.2 NCCCN CNP0566837.0 [0,0,0,0,0,0|2,0,1]=3 64 B4R0.2 NCCCO CNP0538228.0 [0,0,0,0,0,0|1,0,2]=3 65 B4R0.2 NCCCS CNP0560812.0 [0,0,0,0,0,0|1,1,1]=3 66 B4R0.2 NOCON CNP0531529.0 [0,0,0,0,0,0|4,0,0]=4 67 B4R0.2 O=CC=CCl CNP0542132.0 [0,0,0,0,0,0|1,0,2]=3 68 B4R0.2 O=CCC=O CNP0495847.0 [0,0,0,0,0,0|1,0,1]=2 69 B4R0.2 O=CCCO CNP0525339.0 [0,0,0,0,0,0|1,0,0]=1 70 B4R0.2 O=[As]O[As]=O CNP0507371.0 [0,0,0,0,0,0|4,0,0]=4 71 B4R0.2 O=[Fe]O[Fe]=O CNP0593370.0 [0,0,0,0,0,0|4,0,0]=4 72 B4R0.2 OCC=CCl CNP0578872.0 [0,0,0,0,0,0|2,0,1]=3 73 B4R0.2 OCCCBr CNP0506989.0 [0,0,0,0,0,0|1,0,2]=3 74 B4R0.2 OCCCO CNP0503416.0 [0,0,0,0,0,0|1,0,2]=3 75 B4R0.2 OCCCS CNP0586497.0 [0,0,0,0,0,0|1,0,2]=3 76 B4R0.2 SCCCS CNP0528691.0 [0,0,0,0,0,0|1,1,1]=3 77 B4R0.2 [C-]#[N+]CCC CNP0525086.0 [0,0,0,0,0,0|2,0,0]=2 78 B3R0.1 BrCCBr CNP0591557.0 [1,0,0,0,0,0|2,0,0]=3 79 B3R0.1 BrCCI CNP0495630.0 [1,0,0,0,0,0|2,0,0]=3 80 B3R0.1 C#CC=O CNP0511000.0 [1,0,0,0,0,0|0,0,2]=3 81 B3R0.1 C#CCC CNP0509561.0 [1,0,0,0,0,0|0,0,2]=3 82 B3R0.1 C#CCO CNP0488604.0 [1,0,0,0,0,0|0,0,3]=4 83 B3R0.1 C#[N+]CC CNP0559170.0 [1,0,0,0,0,0|1,0,1]=3 84 B3R0.1 C=C=CBr CNP0595246.0 [1,0,0,0,0,0|1,0,2]=4 85 B3R0.1 C=C=CC CNP0584937.0 [1,0,0,0,0,0|0,0,2]=3 86 B3R0.1 C=CC#N CNP0580732.0 [1,0,0,0,0,0|1,0,2]=4 87 B3R0.1 C=CC=C CNP0574781.0 [1,0,0,0,0,0|0,0,3]=4 88 B3R0.1 C=CC=O CNP0603221.0 [1,0,0,0,0,0|0,0,2]=3 89 B3R0.1 C=CC=S CNP0501678.0 [1,0,0,0,0,0|0,1,2]=4 90 B3R0.1 C=CCC CNP0490956.0 [1,0,0,0,0,0|0,0,1]=2 91 B3R0.1 C=CCN CNP0585503.0 [1,0,0,0,0,0|1,0,1]=3 92 B3R0.1 C=CCO CNP0561492.0 [1,0,0,0,0,0|1,0,1]=3 93 B3R0.1 C=CCS CNP0575677.0 [1,0,0,0,0,0|1,0,1]=3 94 B3R0.1 C=COC CNP0611794.0 [1,0,0,0,0,0|1,0,1]=3 95 B3R0.1 CC#CC CNP0556029.0 [1,0,0,0,0,0|0,0,3]=4 96 B3R0.1 CC=CBr CNP0509639.0 [1,0,0,0,0,0|1,0,1]=3 97 B3R0.1 CC=CC CNP0597271.0 [1,0,0,0,0,0|1,0,1]=3 98 B3R0.1 CC=CS CNP0589530.0 [1,0,0,0,0,0|0,1,1]=3 99 B3R0.1 CC=NO CNP0512137.0 [1,0,0,0,0,0|1,0,2]=4 100 B3R0.1 CC=[N+]=[N-] CNP0532727.0 [1,0,0,0,0,0|2,0,1]=4 101 B3R0.1 CCC#N CNP0564998.0 [1,0,0,0,0,0|1,0,1]=3 102 B3R0.1 CCC=O CNP0570013.0 [1,0,0,0,0,0|0,0,0]=1 103 B3R0.1 CCC=S CNP0546828.0 [1,0,0,0,0,0|0,1,0]=2 104 B3R0.1 CCCBr CNP0561445.0 [1,0,0,0,0,0|1,0,0]=2 105 B3R0.1 CCCC CNP0597736.0 [1,0,0,0,0,0|0,0,1]=2 106 B3R0.1 CCCI CNP0596010.0 [1,0,0,0,0,0|1,0,0]=2 107 B3R0.1 CCCN CNP0600530.0 [1,0,0,0,0,0|1,0,0]=2 108 B3R0.1 CCCO CNP0605151.0 [1,0,0,0,0,0|0,0,1]=2 109 B3R0.1 CCCS CNP0572992.0 [1,0,0,0,0,0|0,1,0]=2 110 B3R0.1 CCN=O CNP0552947.0 [1,0,0,0,0,0|1,0,0]=2 111 B3R0.1 CCNC CNP0563252.0 [1,0,0,0,0,0|1,0,1]=3 112 B3R0.1 CCOC CNP0484105.0 [1,0,0,0,0,0|1,0,1]=3 113 B3R0.1 CCOO CNP0591807.0 [1,0,0,0,0,0|1,0,1]=3 114 B3R0.1 CCSC CNP0596541.0 [1,0,0,0,0,0|1,0,1]=3 115 B3R0.1 CCSO CNP0559716.0 [1,0,0,0,0,0|1,0,1]=3 116 B3R0.1 CN=C=O CNP0542197.0 [1,0,0,0,0,0|1,0,1]=3 117 B3R0.1 CN=C=S CNP0601890.0 [1,0,0,0,0,0|1,1,1]=4 118 B3R0.1 CNC=O CNP0565671.0 [1,0,0,0,0,0|1,0,0]=2 119 B3R0.1 CNNC CNP0493834.0 [1,0,0,0,0,0|2,0,1]=4 120 B3R0.1 COC=O CNP0494242.0 [1,0,0,0,0,0|1,0,0]=2 121 B3R0.1 COOC CNP0610139.0 [1,0,0,0,0,0|2,0,1]=4 122 B3R0.1 CSC#N CNP0493602.0 [1,0,0,0,0,0|2,0,1]=4 123 B3R0.1 CSSC CNP0600942.0 [1,0,0,0,0,0|2,0,1]=4 124 B3R0.1 C[Se][Se]C CNP0508246.0 [1,0,0,0,0,0|2,0,1]=4 125 B3R0.1 ClC=CCl CNP0610334.0 [1,0,0,0,0,0|2,0,1]=4 126 B3R0.1 ClCCBr CNP0493040.0 [1,0,0,0,0,0|2,0,0]=3 127 B3R0.1 ClCCCl CNP0592018.0 [1,0,0,0,0,0|2,0,0]=3 128 B3R0.1 N#CCI CNP0547629.0 [1,0,0,0,0,0|2,0,1]=4 129 B3R0.1 N#CCS CNP0566385.0 [1,0,0,0,0,0|1,1,1]=4 130 B3R0.1 N=CCN CNP0547283.0 [1,0,0,0,0,0|2,0,0]=3 131 B3R0.1 NC=CS CNP0577276.0 [1,0,0,0,0,0|1,1,1]=4 132 B3R0.1 NCC=O CNP0566697.0 [1,0,0,0,0,0|1,0,0]=2 133 B3R0.1 NCCN CNP0531974.0 [1,0,0,0,0,0|2,0,0]=3 134 B3R0.1 NCCO CNP0581653.0 [1,0,0,0,0,0|1,0,1]=3 135 B3R0.1 NCCS CNP0490978.0 [1,0,0,0,0,0|1,1,0]=3 136 B3R0.1 NCC[O] CNP0586934.0 [1,0,0,0,0,0|1,0,1]=3 137 B3R0.1 NNC=O CNP0501881.0 [1,0,0,0,0,0|2,0,0]=3 138 B3R0.1 O=BOO CNP0541096.0 [1,0,0,0,0,0|3,0,0]=4 139 B3R0.1 O=CC=O CNP0605189.0 [1,0,0,0,0,0|1,0,1]=3 140 B3R0.1 O=CCBr CNP0516788.0 [1,0,0,0,0,0|1,0,0]=2 141 B3R0.1 O=CCO CNP0600524.0 [1,0,0,0,0,0|1,0,0]=2 142 B3R0.1 O=CCS CNP0591045.0 [1,0,0,0,0,0|1,0,0]=2 143 B3R0.1 O=NOO CNP0508221.0 [1,0,0,0,0,0|3,0,0]=4 144 B3R0.1 OC=CO CNP0508859.0 [1,0,0,0,0,0|1,0,2]=4 145 B3R0.1 OCCCl CNP0532317.0 [1,0,0,0,0,0|1,0,1]=3 146 B3R0.1 OCCI CNP0489668.0 [1,0,0,0,0,0|1,0,1]=3 147 B3R0.1 OCCO CNP0484938.0 [1,0,0,0,0,0|1,0,1]=3 148 B3R0.1 OCCS CNP0576505.0 [1,0,0,0,0,0|1,0,1]=3 149 B3R0.1 SCCS CNP0506336.0 [1,0,0,0,0,0|1,1,0]=3 150 B5R0.1 C#CCC(=O)O CNP0049385.0 [0,1,0,0,0,0|0,0,2]=3 151 B5R0.1 C=C(Br)CCO CNP0595001.0 [0,1,0,0,0,0|2,0,0]=3 152 B5R0.1 C=C(C)C=CC CNP0348667.0 [0,1,0,0,0,0|1,0,2]=4 153 B5R0.1 C=C(C)CCC CNP0179329.0 [0,1,0,0,0,0|1,0,0]=2 154 B5R0.1 C=C(C)CCO CNP0285127.0 [0,1,0,0,0,0|2,0,0]=3 155 B5R0.1 C=C(O)CCC CNP0003382.0 [0,1,0,0,0,0|0,0,1]=2 156 B5R0.1 C=C([CH2-])CC#[O+] CNP0507131.0 [0,1,0,0,0,0|2,0,1]=4 157 B5R0.1 C=CC=C(C)C CNP0130651.0 [0,1,0,0,0,0|1,0,2]=4 158 B5R0.1 C=CCC(=O)C CNP0385825.0 [0,1,0,0,0,0|0,0,2]=3 159 B5R0.1 C=CCC(=O)N CNP0292806.0 [0,1,0,0,0,0|0,0,2]=3 160 B5R0.1 C=CCC(=O)O CNP0172155.0 [0,1,0,0,0,0|0,0,2]=3 161 B5R0.1 C=CCC(C)C CNP0293683.0 [0,1,0,0,0,0|1,0,0]=2 162 B5R0.1 C=CCC(C)O CNP0594112.0 [0,1,0,0,0,0|1,0,0]=2 163 B5R0.1 C=CCS(=S)O CNP0533091.0 [0,1,0,0,0,0|3,0,0]=4 164 B5R0.1 C=CC[S@+](C)[O-] CNP0483153.2 [0,1,0,0,0,0|2,0,0]=3 165 B5R0.1 C=CC[S@@+](C)[O-] CNP0483153.1 [0,1,0,0,0,0|2,0,0]=3 166 B5R0.1 C=COC(=O)C CNP0003526.0 [0,1,0,0,0,0|1,0,2]=4 167 B5R0.1 C=COC(C)C CNP0491165.0 [0,1,0,0,0,0|2,0,0]=3 168 B5R0.1 CC(=CC=O)C CNP0325416.0 [0,1,0,0,0,0|0,0,2]=3 169 B5R0.1 CC(=CCO)C CNP0241702.0 [0,1,0,0,0,0|2,0,1]=4 170 B5R0.1 CC(=CCS)C CNP0262600.0 [0,1,0,0,0,0|2,0,1]=4 171 B5R0.1 CC(=O)C=NO CNP0397193.0 [0,1,0,0,0,0|2,0,1]=4 172 B5R0.1 CC(=O)CCO CNP0251527.0 [0,1,0,0,0,0|1,0,0]=2 173 B5R0.1 CC(=O)CCS CNP0404753.0 [0,1,0,0,0,0|1,0,0]=2 174 B5R0.1 CC(=O)OCS CNP0547679.0 [0,1,0,0,0,0|2,0,0]=3 175 B5R0.1 CC(C)C=CO CNP0546358.0 [0,1,0,0,0,0|0,0,2]=3 176 B5R0.1 CC(C)C=NO CNP0180575.0 [0,1,0,0,0,0|1,0,2]=4 177 B5R0.1 CC(C)CC#N CNP0003467.0 [0,1,0,0,0,0|1,0,1]=3 178 B5R0.1 CC(C)CC=O CNP0200023.0 [0,1,0,0,0,0|0,0,0]=1 179 B5R0.1 CC(C)CCN CNP0107663.0 [0,1,0,0,0,0|1,0,1]=3 180 B5R0.1 CC(C)CCO CNP0115711.0 [0,1,0,0,0,0|0,0,2]=3 181 B5R0.1 CC(C)CCS CNP0222694.0 [0,1,0,0,0,0|0,1,1]=3 182 B5R0.1 CC(C)CNO CNP0343206.0 [0,1,0,0,0,0|1,0,1]=3 183 B5R0.1 CC(C)N=C=O CNP0495487.0 [0,1,0,0,0,0|1,0,1]=3 184 B5R0.1 CC(C)N=C=S CNP0332549.0 [0,1,0,0,0,0|1,1,1]=4 185 B5R0.1 CC(C)OC=O CNP0079775.0 [0,1,0,0,0,0|1,0,0]=2 186 B5R0.1 CC(C)ON=N CNP0504626.0 [0,1,0,0,0,0|3,0,0]=4 187 B5R0.1 CC(O)CCS CNP0002409.0 [0,1,0,0,0,0|0,1,1]=3 188 B5R0.1 CC(S)CCS CNP0003105.0 [0,1,0,0,0,0|0,1,1]=3 189 B5R0.1 CC=CC(=N)S CNP0609462.0 [0,1,0,0,0,0|0,1,2]=4 190 B5R0.1 CC=CC(=O)C CNP0158055.0 [0,1,0,0,0,0|0,0,2]=3 191 B5R0.1 CC=CC(=O)Cl CNP0018733.0 [0,1,0,0,0,0|0,0,2]=3 192 B5R0.1 CC=CC(=O)N CNP0376163.0 [0,1,0,0,0,0|0,0,2]=3 193 B5R0.1 CC=CC(=O)O CNP0379669.0 [0,1,0,0,0,0|0,0,2]=3 194 B5R0.1 CC=CC(=O)S CNP0128183.0 [0,1,0,0,0,0|0,0,2]=3 195 B5R0.1 CC=CC(=S)N CNP0219494.0 [0,1,0,0,0,0|0,1,2]=4 196 B5R0.1 CC=CC(C)C CNP0513218.0 [0,1,0,0,0,0|1,0,1]=3 197 B5R0.1 CC=CC(C)O CNP0150168.0 [0,1,0,0,0,0|1,0,1]=3 198 B5R0.1 CCC=C(C)C CNP0331653.0 [0,1,0,0,0,0|1,0,1]=3 199 B5R0.1 CCC=C(C)O CNP0225775.0 [0,1,0,0,0,0|0,0,2]=3 200 B5R0.1 CCCC(=O)C CNP0169448.0 [0,1,0,0,0,0|0,0,0]=1 201 B5R0.1 CCCC(=O)N CNP0115101.0 [0,1,0,0,0,0|0,0,0]=1 202 B5R0.1 CCCC(=O)O CNP0259447.0 [0,1,0,0,0,0|0,0,0]=1 203 B5R0.1 CCCC(=O)[O-] CNP0521413.0 [0,1,0,0,0,0|0,0,0]=1 204 B5R0.1 CCCC(C)C CNP0319065.0 [0,1,0,0,0,0|1,0,1]=3 205 B5R0.1 CCCC(C)S CNP0029638.0 [0,1,0,0,0,0|0,1,1]=3 206 B5R0.1 CCCC(O)O CNP0076336.0 [0,1,0,0,0,0|0,0,2]=3 207 B5R0.1 CCCS(=S)O CNP0558357.0 [0,1,0,0,0,0|1,0,1]=3 208 B5R0.1 CCC[C@@H](C)O CNP0287976.1 [0,1,0,0,0,0|0,0,2]=3 209 B5R0.1 CCC[C@H](C)O CNP0287976.2 [0,1,0,0,0,0|0,0,2]=3 210 B5R0.1 CCNC(=O)C CNP0260078.0 [0,1,0,0,0,0|1,0,0]=2 211 B5R0.1 CCNC(=S)N CNP0415621.0 [0,1,0,0,0,0|1,1,0]=3 212 B5R0.1 CCOC(=O)C CNP0322418.0 [0,1,0,0,0,0|1,0,0]=2 213 B5R0.1 CCOC(=O)N CNP0336700.0 [0,1,0,0,0,0|1,0,0]=2 214 B5R0.1 CCOC(=O)O CNP0166515.0 [0,1,0,0,0,0|1,0,0]=2 215 B5R0.1 CCOC(C)C CNP0604172.0 [0,1,0,0,0,0|2,0,1]=4 216 B5R0.1 CCO[13C](=O)C CNP0577601.0 [0,1,0,0,0,0|1,0,0]=2 217 B5R0.1 CCSC(=N)N CNP0528738.0 [0,1,0,0,0,0|2,0,0]=3 218 B5R0.1 CCSC(=O)C CNP0274861.0 [0,1,0,0,0,0|1,0,0]=2 219 B5R0.1 CCSC(C)C CNP0254931.0 [0,1,0,0,0,0|2,0,1]=4 220 B5R0.1 CCSC(C)S CNP0579398.0 [0,1,0,0,0,0|1,1,1]=4 221 B5R0.1 CC[Se]C(=N)N CNP0601350.0 [0,1,0,0,0,0|2,0,0]=3 222 B5R0.1 CN(C)CC#N CNP0084986.0 [0,1,0,0,0,0|2,0,1]=4 223 B5R0.1 CN(C)CCCl CNP0328789.0 [0,1,0,0,0,0|2,0,1]=4 224 B5R0.1 CN(C)CCO CNP0230038.0 [0,1,0,0,0,0|1,0,2]=4 225 B5R0.1 CN=CC(C)C CNP0149349.0 [0,1,0,0,0,0|2,0,1]=4 226 B5R0.1 CNCC(=O)O CNP0307073.0 [0,1,0,0,0,0|1,0,0]=2 227 B5R0.1 CNCC(=O)O CNP0563704.0 [0,1,0,0,0,0|1,0,0]=2 228 B5R0.1 CNCC(=O)[O-] CNP0565920.0 [0,1,0,0,0,0|1,0,0]=2 229 B5R0.1 CNCC(C)C CNP0273998.0 [0,1,0,0,0,0|2,0,0]=3 230 B5R0.1 COCC(=O)C CNP0581024.0 [0,1,0,0,0,0|1,0,0]=2 231 B5R0.1 COCC(=O)O CNP0343219.0 [0,1,0,0,0,0|1,0,0]=2 232 B5R0.1 COCC(C)C CNP0528468.0 [0,1,0,0,0,0|2,0,0]=3 233 B5R0.1 CSCC(=O)C CNP0002513.0 [0,1,0,0,0,0|1,0,0]=2 234 B5R0.1 CSCC(=O)O CNP0447839.0 [0,1,0,0,0,0|1,0,0]=2 235 B5R0.1 CSCC(C)C CNP0405087.0 [0,1,0,0,0,0|2,0,0]=3 236 B5R0.1 CSC[S@+](C)[O-] CNP0604118.1 [0,1,0,0,0,0|2,0,1]=4 237 B5R0.1 CSSC(C)C CNP0267830.0 [0,1,0,0,0,0|3,0,0]=4 238 B5R0.1 C[C@@H](O)CC#N CNP0115714.1 [0,1,0,0,0,0|1,0,1]=3 239 B5R0.1 C[C@@H](O)CC=O CNP0197470.1 [0,1,0,0,0,0|0,0,0]=1 240 B5R0.1 C[C@@H](O)CCO CNP0110972.2 [0,1,0,0,0,0|0,0,2]=3 241 B5R0.1 C[C@H](O)CCO CNP0110972.1 [0,1,0,0,0,0|0,0,2]=3 242 B5R0.1 C[Se]CC(=O)O CNP0526449.0 [0,1,0,0,0,0|1,0,0]=2 243 B5R0.1 C[Te]CC(=O)O CNP0537189.0 [0,1,0,0,0,0|1,0,0]=2 244 B5R0.1 N#CCC(=O)N CNP0086390.0 [0,1,0,0,0,0|1,0,1]=3 245 B5R0.1 N#CCC(=O)O CNP0269115.0 [0,1,0,0,0,0|1,0,1]=3 246 B5R0.1 NC(=O)C=CI CNP0204270.0 [0,1,0,0,0,0|1,0,2]=4 247 B5R0.1 NCCC(=O)O CNP0226336.0 [0,1,0,0,0,0|1,0,0]=2 248 B5R0.1 NCCP(=O)O CNP0498602.0 [0,1,0,0,0,0|2,0,0]=3 249 B5R0.1 NCC[S@@](=O)O CNP0211926.2 [0,1,0,0,0,0|2,0,0]=3 250 B5R0.1 NCC[S@](=O)O CNP0211926.1 [0,1,0,0,0,0|2,0,0]=3 251 B5R0.1 NCNC(=O)N CNP0046326.0 [0,1,0,0,0,0|2,0,0]=3 252 B5R0.1 NOCC(=O)O CNP0293826.0 [0,1,0,0,0,0|2,0,0]=3 253 B5R0.1 O=C(O)C=CBr CNP0310992.0 [0,1,0,0,0,0|1,0,2]=4 254 B5R0.1 O=C(O)C=CCl CNP0293481.0 [0,1,0,0,0,0|1,0,2]=4 255 B5R0.1 O=C(O)C=CI CNP0239582.0 [0,1,0,0,0,0|1,0,2]=4 256 B5R0.1 O=C(O)C=NO CNP0286362.0 [0,1,0,0,0,0|2,0,1]=4 257 B5R0.1 O=C(O)CCO CNP0228379.0 [0,1,0,0,0,0|1,0,0]=2 258 B5R0.1 O=C(O)CCS CNP0097385.0 [0,1,0,0,0,0|1,0,0]=2 259 B5R0.1 O=C(O)CNO CNP0316873.0 [0,1,0,0,0,0|2,0,0]=3 260 B5R0.1 O=CC=C(Br)Br CNP0270728.0 [0,1,0,0,0,0|1,0,2]=4 261 B5R0.1 O=CCC(=O)O CNP0149091.0 [0,1,0,0,0,0|1,0,1]=3 262 B5R0.1 O=[N+]([O-])CCO CNP0479078.0 [0,1,0,0,0,0|2,0,0]=3 263 B5R0.1 [C-]#[N+]CC(=O)O CNP0534475.0 [0,1,0,0,0,0|1,0,1]=3 264 B5R0.2 C=C=CCC=O CNP0509236.0 [0,1,0,0,0,0|0,0,2]=3 265 B5R0.2 C=CC=CC=O CNP0022566.0 [0,1,0,0,0,0|0,0,3]=4 266 B5R0.2 C=CC=CCC CNP0495438.0 [0,1,0,0,0,0|1,0,1]=3 267 B5R0.2 C=CCC=CC CNP0292090.0 [0,1,0,0,0,0|1,0,1]=3 268 B5R0.2 C=CCCC#N CNP0248596.0 [0,1,0,0,0,0|1,0,1]=3 269 B5R0.2 C=CCCC=C CNP0079781.0 [0,1,0,0,0,0|1,0,1]=3 270 B5R0.2 C=CCCC=O CNP0076959.0 [0,1,0,0,0,0|0,0,1]=2 271 B5R0.2 C=CCCCC CNP0264947.0 [0,1,0,0,0,0|1,0,0]=2 272 B5R0.2 C=CCCCO CNP0003396.0 [0,1,0,0,0,0|1,0,0]=2 273 B5R0.2 C=CCN=C=S CNP0329428.0 [0,1,0,0,0,0|2,0,1]=4 274 B5R0.2 C=CCN=[N+]=[N-] CNP0564364.0 [0,1,0,0,0,0|3,0,0]=4 275 B5R0.2 C=CCOC=C CNP0367857.0 [0,1,0,0,0,0|1,0,2]=4 276 B5R0.2 C=CCOC=O CNP0541341.0 [0,1,0,0,0,0|0,0,2]=3 277 B5R0.2 C=CCSC#N CNP0391044.0 [0,1,0,0,0,0|2,0,1]=4 278 B5R0.2 C=CCSCC CNP0261096.0 [0,1,0,0,0,0|1,0,0]=2 279 B5R0.2 C=CCSSC CNP0333880.0 [0,1,0,0,0,0|2,0,0]=3 280 B5R0.2 C=CC[N+]=C=S CNP0590911.0 [0,1,0,0,0,0|2,0,1]=4 281 B5R0.2 C=CSSCC CNP0003136.0 [0,1,0,0,0,0|2,0,0]=3 282 B5R0.2 CC#CCCO CNP0515871.0 [0,1,0,0,0,0|0,0,3]=4 283 B5R0.2 CC=C=CCO CNP0426440.0 [0,1,0,0,0,0|0,0,3]=4 284 B5R0.2 CC=C=COC CNP0519318.0 [0,1,0,0,0,0|0,0,3]=4 285 B5R0.2 CC=CC=CC CNP0611428.0 [0,1,0,0,0,0|1,0,2]=4 286 B5R0.2 CC=CCC#N CNP0080085.0 [0,1,0,0,0,0|1,0,2]=4 287 B5R0.2 CC=CCC=O CNP0167409.0 [0,1,0,0,0,0|0,0,1]=2 288 B5R0.2 CC=CCCC CNP0419577.0 [0,1,0,0,0,0|1,0,0]=2 289 B5R0.2 CC=CCCO CNP0253382.0 [0,1,0,0,0,0|1,0,1]=3 290 B5R0.2 CC=CSSC CNP0214071.0 [0,1,0,0,0,0|2,0,1]=4 291 B5R0.2 CCC#CCO CNP0076027.0 [0,1,0,0,0,0|0,0,3]=4 292 B5R0.2 CCC=CC#N CNP0080058.0 [0,1,0,0,0,0|1,0,1]=3 293 B5R0.2 CCC=CC=O CNP0328747.0 [0,1,0,0,0,0|0,0,1]=2 294 B5R0.2 CCC=CCO CNP0239009.0 [0,1,0,0,0,0|0,0,2]=3 295 B5R0.2 CCC=CSC CNP0068372.0 [0,1,0,0,0,0|0,1,1]=3 296 B5R0.2 CCC=CSO CNP0458289.0 [0,1,0,0,0,0|0,0,2]=3 297 B5R0.2 CCC=NNC CNP0543863.0 [0,1,0,0,0,0|2,0,1]=4 298 B5R0.2 CCCC=CO CNP0247153.0 [0,1,0,0,0,0|0,0,1]=2 299 B5R0.2 CCCC=NO CNP0071145.0 [0,1,0,0,0,0|0,0,1]=2 300 B5R0.2 CCCCC#N CNP0357663.0 [0,1,0,0,0,0|1,0,1]=3 301 B5R0.2 CCCCC=O CNP0361186.0 [0,1,0,0,0,0|0,0,0]=1 302 B5R0.2 CCCCCBr CNP0018690.0 [0,1,0,0,0,0|1,0,1]=3 303 B5R0.2 CCCCCC CNP0269021.0 [0,1,0,0,0,0|1,0,1]=3 304 B5R0.2 CCCCCI CNP0017763.0 [0,1,0,0,0,0|1,0,1]=3 305 B5R0.2 CCCCCN CNP0203183.0 [0,1,0,0,0,0|1,0,1]=3 306 B5R0.2 CCCCCO CNP0244882.0 [0,1,0,0,0,0|0,0,2]=3 307 B5R0.2 CCCCCS CNP0260876.0 [0,1,0,0,0,0|0,1,1]=3 308 B5R0.2 CCCCNC CNP0277639.0 [0,1,0,0,0,0|1,0,1]=3 309 B5R0.2 CCCCOC CNP0609033.0 [0,1,0,0,0,0|0,0,2]=3 310 B5R0.2 CCCCSC CNP0562965.0 [0,1,0,0,0,0|0,1,1]=3 311 B5R0.2 CCCC[S+]=O CNP0521772.0 [0,1,0,0,0,0|0,0,1]=2 312 B5R0.2 CCCN=C=S CNP0077279.0 [0,1,0,0,0,0|0,1,1]=3 313 B5R0.2 CCCOC=O CNP0326097.0 [0,1,0,0,0,0|0,0,0]=1 314 B5R0.2 CCCSC#N CNP0395197.0 [0,1,0,0,0,0|1,0,1]=3 315 B5R0.2 CCCSCC CNP0316215.0 [0,1,0,0,0,0|1,0,1]=3 316 B5R0.2 CCCSSC CNP0296815.0 [0,1,0,0,0,0|1,1,0]=3 317 B5R0.2 CCNCCN CNP0281269.0 [0,1,0,0,0,0|1,0,1]=3 318 B5R0.2 CCNCCO CNP0396370.0 [0,1,0,0,0,0|0,0,2]=3 319 B5R0.2 CCOCC#N CNP0184632.0 [0,1,0,0,0,0|1,0,1]=3 320 B5R0.2 CCOCCO CNP0319988.0 [0,1,0,0,0,0|0,0,2]=3 321 B5R0.2 CCSCCN CNP0506731.0 [0,1,0,0,0,0|1,0,1]=3 322 B5R0.2 CCSSCC CNP0416624.0 [0,1,0,0,0,0|2,0,1]=4 323 B5R0.2 CCSSSC CNP0407481.0 [0,1,0,0,0,0|2,1,0]=4 324 B5R0.2 CNCCNC CNP0480039.0 [0,1,0,0,0,0|2,0,0]=3 325 B5R0.2 COC=COC CNP0416791.0 [0,1,0,0,0,0|1,0,2]=4 326 B5R0.2 COCCOC CNP0144142.0 [0,1,0,0,0,0|2,0,0]=3 327 B5R0.2 CSC=CSC CNP0075985.0 [0,1,0,0,0,0|1,1,1]=4 328 B5R0.2 CSCCC=O CNP0136743.0 [0,1,0,0,0,0|0,0,0]=1 329 B5R0.2 CSCCCN CNP0348726.0 [0,1,0,0,0,0|1,0,1]=3 330 B5R0.2 CSCCCO CNP0359993.0 [0,1,0,0,0,0|0,0,2]=3 331 B5R0.2 CSCSSC CNP0313036.0 [0,1,0,0,0,0|2,1,0]=4 332 B5R0.2 N#CCCC#N CNP0194793.0 [0,1,0,0,0,0|1,0,2]=4 333 B5R0.2 N#CCCC=O CNP0181263.0 [0,1,0,0,0,0|0,0,1]=2 334 B5R0.2 N#CCCCO CNP0358912.0 [0,1,0,0,0,0|1,0,1]=3 335 B5R0.2 NCCCC=O CNP0359033.0 [0,1,0,0,0,0|0,0,0]=1 336 B5R0.2 NCCCCN CNP0116270.0 [0,1,0,0,0,0|1,0,1]=3 337 B5R0.2 NCCCCO CNP0514594.0 [0,1,0,0,0,0|0,0,2]=3 338 B5R0.2 O=CC=CCO CNP0112016.0 [0,1,0,0,0,0|0,0,2]=3 339 B5R0.2 O=CCCC=O CNP0053830.0 [0,1,0,0,0,0|0,0,1]=2 340 B5R0.2 OCC=CCO CNP0296138.0 [0,1,0,0,0,0|1,0,2]=4 341 B5R0.2 OCCCCBr CNP0083982.0 [0,1,0,0,0,0|0,0,2]=3 342 B5R0.2 OCCCCCl CNP0079807.0 [0,1,0,0,0,0|0,0,2]=3 343 B5R0.2 OCCCCO CNP0080008.0 [0,1,0,0,0,0|0,0,2]=3 344 B5R0.2 [C-]#[N+]CCCC CNP0522879.0 [0,1,0,0,0,0|1,0,1]=3 345 B5R0.3 C=C(C#N)CC CNP0541651.0 [0,1,0,0,0,0|1,0,2]=4 346 B5R0.3 C=C(C=O)CC CNP0542605.0 [0,1,0,0,0,0|0,0,1]=2 347 B5R0.3 C=CC(=CC)C CNP0134384.0 [0,1,0,0,0,0|1,0,2]=4 348 B5R0.3 C=CC(=O)CC CNP0362181.0 [0,1,0,0,0,0|1,0,1]=3 349 B5R0.3 C=CC(=O)OC CNP0217866.0 [0,1,0,0,0,0|2,0,1]=4 350 B5R0.3 C=C[C@@H](O)C#N CNP0141220.1 [0,1,0,0,0,0|2,0,1]=4 351 B5R0.3 C=C[C@@H](O)CC CNP0331558.1 [0,1,0,0,0,0|1,0,0]=2 352 B5R0.3 C=C[C@H](C)CO CNP0600503.1 [0,1,0,0,0,0|2,0,0]=3 353 B5R0.3 C=C[C@H](O)C#N CNP0141220.2 [0,1,0,0,0,0|2,0,1]=4 354 B5R0.3 C=C[C@H](O)CC CNP0331558.2 [0,1,0,0,0,0|1,0,0]=2 355 B5R0.3 CC(CO)CO CNP0282467.0 [0,1,0,0,0,0|1,0,2]=4 356 B5R0.3 CC=C(C)C=O CNP0281160.0 [0,1,0,0,0,0|0,0,2]=3 357 B5R0.3 CC=C(C)CC CNP0247687.0 [0,1,0,0,0,0|1,0,1]=3 358 B5R0.3 CC=C(C)CO CNP0120418.0 [0,1,0,0,0,0|2,0,1]=4 359 B5R0.3 CCC(=CS)C CNP0025997.0 [0,1,0,0,0,0|0,1,1]=3 360 B5R0.3 CCC(=O)C=O CNP0301331.0 [0,1,0,0,0,0|0,0,1]=2 361 B5R0.3 CCC(=O)CC CNP0270305.0 [0,1,0,0,0,0|1,0,2]=4 362 B5R0.3 CCC(=O)CO CNP0165007.0 [0,1,0,0,0,0|0,0,3]=4 363 B5R0.3 CCC(=O)NN CNP0281170.0 [0,1,0,0,0,0|2,0,1]=4 364 B5R0.3 CCC(=O)OC CNP0166631.0 [0,1,0,0,0,0|2,0,1]=4 365 B5R0.3 CCC(=O)SC CNP0240172.0 [0,1,0,0,0,0|2,0,1]=4 366 B5R0.3 CCC(C)CC CNP0316485.0 [0,1,0,0,0,0|1,0,1]=3 367 B5R0.3 CCC(C)CS CNP0003009.0 [0,1,0,0,0,0|0,1,1]=3 368 B5R0.3 CCC(N)CC CNP0103985.0 [0,1,0,0,0,0|1,0,1]=3 369 B5R0.3 CCC(N)NC CNP0278870.0 [0,1,0,0,0,0|2,0,0]=3 370 B5R0.3 CCC(O)CC CNP0293075.0 [0,1,0,0,0,0|1,0,1]=3 371 B5R0.3 CCC(O)CCl CNP0366953.0 [0,1,0,0,0,0|1,0,1]=3 372 B5R0.3 CCC(O)CO CNP0534149.0 [0,1,0,0,0,0|0,0,2]=3 373 B5R0.3 CCC(S)CS CNP0197461.0 [0,1,0,0,0,0|0,1,1]=3 374 B5R0.3 CCC(S)SC CNP0609154.0 [0,1,0,0,0,0|2,0,0]=3 375 B5R0.3 CC[C@@H](C)C=O CNP0220551.2 [0,1,0,0,0,0|0,0,0]=1 376 B5R0.3 CC[C@@H](C)CO CNP0185673.1 [0,1,0,0,0,0|0,0,2]=3 377 B5R0.3 CC[C@H](C)C#N CNP0343114.1 [0,1,0,0,0,0|1,0,1]=3 378 B5R0.3 CC[C@H](C)C=O CNP0220551.1 [0,1,0,0,0,0|0,0,0]=1 379 B5R0.3 CC[C@H](C)CN CNP0233909.1 [0,1,0,0,0,0|1,0,1]=3 380 B5R0.3 CC[C@H](C)CO CNP0185673.2 [0,1,0,0,0,0|0,0,2]=3 381 B5R0.3 CC[C@H](C)NC CNP0236959.1 [0,1,0,0,0,0|2,0,0]=3 382 B5R0.3 CC[S+](C)CC CNP0038064.0 [0,1,0,0,0,0|2,0,1]=4 383 B5R0.3 CC[S](C)CC CNP0523180.0 [0,1,0,0,0,0|2,0,1]=4 384 B5R0.3 CN(C=O)CO CNP0412364.0 [0,1,0,0,0,0|2,0,0]=3 385 B5R0.3 COC(C)CO CNP0485411.0 [0,1,0,0,0,0|1,0,2]=4 386 B5R0.3 COC(C)OC CNP0122626.0 [0,1,0,0,0,0|3,0,0]=4 387 B5R0.3 CSC(C)SC CNP0610569.0 [0,1,0,0,0,0|3,0,0]=4 388 B5R0.3 ClCC(Cl)CCl CNP0159084.0 [0,1,0,0,0,0|2,0,1]=4 389 B5R0.3 NC(CO)CO CNP0535001.0 [0,1,0,0,0,0|1,0,2]=4 390 B5R0.3 O=CC(=CO)O CNP0278717.0 [0,1,0,0,0,0|1,0,2]=4 391 B5R0.3 O=CC(O)C=O CNP0083225.0 [0,1,0,0,0,0|1,0,1]=3 392 B5R0.3 O=C[C@H](O)CO CNP0359959.1 [0,1,0,0,0,0|1,0,0]=2 393 B5R0.3 OC(CBr)CBr CNP0017512.0 [0,1,0,0,0,0|2,0,1]=4 394 B5R0.3 OC(CCl)CCl CNP0294183.0 [0,1,0,0,0,0|2,0,1]=4 395 B5R0.3 OC(CI)CI CNP0161531.0 [0,1,0,0,0,0|2,0,1]=4 396 B5R0.3 OC(CP)CP CNP0345632.0 [0,1,0,0,0,0|2,0,1]=4 397 B5R0.3 OCC(O)CCl CNP0334066.0 [0,1,0,0,0,0|1,0,2]=4 398 B5R0.3 OCC(O)CO CNP0259986.0 [0,1,0,0,0,0|1,0,2]=4 399 B5R0.3 OC[C@@H](O)CS CNP0570311.1 [0,1,0,0,0,0|1,0,2]=4 400 B5R0.3 OC[C@@H](S)CS CNP0341544.1 [0,1,0,0,0,0|1,0,2]=4 401 B5R0.3 OC[C@H](O)CI CNP0103876.1 [0,1,0,0,0,0|1,0,2]=4 402 B5R0.3 OC[C@H](S)CS CNP0341544.2 [0,1,0,0,0,0|1,0,2]=4 403 B5R0.3 O[C@@H](CCl)CI CNP0018029.1 [0,1,0,0,0,0|2,0,1]=4 404 B5R0.3 PCC(P)CP CNP0345634.0 [0,1,0,0,0,0|2,0,1]=4 405 B5R1.1 C1=CCC=C1 CNP0588646.0 [0,0,0,1,0,0|1,0,2]=4 406 B5R1.1 C1=CCCC1 CNP0534738.0 [0,0,0,1,0,0|1,0,0]=2 407 B5R1.1 C1=CCOC1 CNP0579994.0 [0,0,0,1,0,0|2,0,0]=3 408 B5R1.1 C1=CNCC1 CNP0527065.0 [0,0,0,1,0,0|1,0,1]=3 409 B5R1.1 C1=COCC1 CNP0540644.0 [0,0,0,1,0,0|0,0,2]=3 410 B5R1.1 C1=CSCC1 CNP0496655.0 [0,0,0,1,0,0|0,1,1]=3 411 B5R1.1 C1=CSCS1 CNP0479150.0 [0,0,0,1,0,0|1,1,1]=4 412 B5R1.1 C1=CSSC1 CNP0490976.0 [0,0,0,1,0,0|1,1,1]=4 413 B5R1.1 C1=NCCC1 CNP0581055.0 [0,0,0,1,0,0|1,0,0]=2 414 B5R1.1 C1=PCCC1 CNP0609027.0 [0,0,0,1,0,0|1,0,0]=2 415 B5R1.1 C1CCCC1 CNP0566364.0 [0,0,0,1,0,0|1,0,1]=3 416 B5R1.1 C1CCNC1 CNP0572990.0 [0,0,0,1,0,0|1,0,1]=3 417 B5R1.1 C1CCOC1 CNP0507941.0 [0,0,0,1,0,0|0,0,2]=3 418 B5R1.1 C1CCPC1 CNP0598418.0 [0,0,0,1,0,0|1,0,1]=3 419 B5R1.1 C1CCSC1 CNP0569262.0 [0,0,0,1,0,0|0,1,1]=3 420 B5R1.1 C1COCO1 CNP0568859.0 [0,0,0,1,0,0|1,0,2]=4 421 B5R1.1 C1CSCN1 CNP0561874.0 [0,0,0,1,0,0|1,1,1]=4 422 B5R1.1 C1CSSC1 CNP0501166.0 [0,0,0,1,0,0|1,1,0]=3 423 B5R1.1 C1SCSS1 CNP0507701.0 [0,0,0,1,0,0|2,1,0]=4 424 B5R1.2 CC1CCC1 CNP0546383.0 [0,0,0,1,0,0|1,0,1]=3 425 B5R1.2 NC1CCC1 CNP0609061.0 [0,0,0,1,0,0|1,0,1]=3 426 B5R1.2 O=C1CCO1 CNP0555602.0 [0,0,0,1,0,0|1,0,0]=2 427 B5R1.2 OC1CCC1 CNP0562500.0 [0,0,0,1,0,0|0,0,2]=3 428 B5R1.2 [O-][S+]1CCC1 CNP0520919.0 [0,0,0,1,0,0|1,0,1]=3 429 B5R1.3 CC=C1CC1 CNP0594561.0 [0,0,0,1,0,0|1,0,1]=3 430 B5R1.3 ClC[C@@H]1CO1 CNP0569559.2 [0,0,0,1,0,0|1,0,2]=4 431 B5R1.3 ClC[C@H]1CO1 CNP0569559.1 [0,0,0,1,0,0|1,0,2]=4 432 B5R1.3 OCC1CC1 CNP0604045.0 [0,0,0,1,0,0|0,0,2]=3 433 B5R1.3 OCC1CO1 CNP0517243.0 [0,0,0,1,0,0|1,0,2]=4 434 B5R1.4 CC1OC1C CNP0609093.0 [0,0,0,1,0,0|2,0,1]=4 435 B5R1.4 C[C@@H]1S[C@@H]1C CNP0577092.1 [0,0,0,1,0,0|2,0,1]=4 436 B2R0.1 BrCBr CNP0494232.0 [2,0,0,0,0,0|2,0,0]=4 437 B2R0.1 BrCI CNP0594254.0 [2,0,0,0,0,0|2,0,0]=4 438 B2R0.1 C=CBr CNP0609063.0 [2,0,0,0,0,0|1,0,1]=4 439 B2R0.1 C=CC CNP0522895.0 [2,0,0,0,0,0|0,0,1]=3 440 B2R0.1 C=CO CNP0606787.0 [2,0,0,0,0,0|0,0,2]=4 441 B2R0.1 C=C[O] CNP0584213.0 [2,0,0,0,0,0|0,0,2]=4 442 B2R0.1 C=NO CNP0573273.0 [2,0,0,0,0,0|2,0,0]=4 443 B2R0.1 C=[N+]=[N-] CNP0484380.0 [2,0,0,0,0,0|2,0,0]=4 444 B2R0.1 CC#N CNP0510997.0 [2,0,0,0,0,0|1,0,1]=4 445 B2R0.1 CC=O CNP0566693.0 [2,0,0,0,0,0|0,0,0]=2 446 B2R0.1 CCBr CNP0511569.0 [2,0,0,0,0,0|1,0,0]=3 447 B2R0.1 CCC CNP0529348.0 [2,0,0,0,0,0|0,0,0]=2 448 B2R0.1 CCCl CNP0605324.0 [2,0,0,0,0,0|1,0,0]=3 449 B2R0.1 CCI CNP0562236.0 [2,0,0,0,0,0|1,0,0]=3 450 B2R0.1 CCN CNP0561286.0 [2,0,0,0,0,0|1,0,0]=3 451 B2R0.1 CCO CNP0546367.0 [2,0,0,0,0,0|0,0,1]=3 452 B2R0.1 CCS CNP0491795.0 [2,0,0,0,0,0|0,1,0]=3 453 B2R0.1 CN=N CNP0513298.0 [2,0,0,0,0,0|2,0,0]=4 454 B2R0.1 CNC CNP0491602.0 [2,0,0,0,0,0|1,0,0]=3 455 B2R0.1 CNN CNP0609070.0 [2,0,0,0,0,0|2,0,0]=4 456 B2R0.1 COC CNP0580850.0 [2,0,0,0,0,0|1,0,0]=3 457 B2R0.1 CON CNP0566773.0 [2,0,0,0,0,0|2,0,0]=4 458 B2R0.1 CPC CNP0528872.0 [2,0,0,0,0,0|1,0,0]=3 459 B2R0.1 CSC CNP0569922.0 [2,0,0,0,0,0|1,0,0]=3 460 B2R0.1 CSS CNP0611991.0 [2,0,0,0,0,0|1,1,0]=4 461 B2R0.1 C[C]=O CNP0538355.0 [2,0,0,0,0,0|0,0,1]=3 462 B2R0.1 C[C]O CNP0601692.0 [2,0,0,0,0,0|0,0,2]=4 463 B2R0.1 C[Se]C CNP0500399.0 [2,0,0,0,0,0|1,0,0]=3 464 B2R0.1 C[Te]C CNP0483858.0 [2,0,0,0,0,0|1,0,0]=3 465 B2R0.1 ClCBr CNP0528283.0 [2,0,0,0,0,0|2,0,0]=4 466 B2R0.1 ClCCl CNP0529345.0 [2,0,0,0,0,0|2,0,0]=4 467 B2R0.1 ClCI CNP0600514.0 [2,0,0,0,0,0|2,0,0]=4 468 B2R0.1 ICI CNP0526769.0 [2,0,0,0,0,0|2,0,0]=4 469 B2R0.1 N=C=O CNP0504564.0 [2,0,0,0,0,0|1,0,1]=4 470 B2R0.1 NC=O CNP0569834.0 [2,0,0,0,0,0|1,0,0]=3 471 B2R0.1 NN=O CNP0610110.0 [2,0,0,0,0,0|2,0,0]=4 472 B2R0.1 O=BO CNP0512281.0 [2,0,0,0,0,0|2,0,0]=4 473 B2R0.1 O=C=O CNP0566212.0 [2,0,0,0,0,0|1,0,1]=4 474 B2R0.1 O=C=S CNP0558182.0 [2,0,0,0,0,0|1,0,1]=4 475 B2R0.1 O=CO CNP0494819.0 [2,0,0,0,0,0|1,0,0]=3 476 B2R0.1 O=NCl CNP0485266.0 [2,0,0,0,0,0|2,0,0]=4 477 B2R0.1 O=NO CNP0506888.0 [2,0,0,0,0,0|2,0,0]=4 478 B2R0.1 O=PO CNP0574430.0 [2,0,0,0,0,0|2,0,0]=4 479 B2R0.1 O=S=O CNP0483725.0 [2,0,0,0,0,0|2,0,0]=4 480 B2R0.1 O=[Mn]=O CNP0493383.0 [2,0,0,0,0,0|2,0,0]=4 481 B2R0.1 O=[Mn]=O CNP0609067.0 [2,0,0,0,0,0|2,0,0]=4 482 B2R0.1 O=[O+][O-] CNP0518683.0 [2,0,0,0,0,0|2,0,0]=4 483 B2R0.1 O=[Se]=O CNP0593099.0 [2,0,0,0,0,0|2,0,0]=4 484 B2R0.1 O=[Si]=O CNP0514392.0 [2,0,0,0,0,0|1,1,0]=4 485 B2R0.1 O=[Te]=O CNP0564386.0 [2,0,0,0,0,0|2,0,0]=4 486 B2R0.1 O=[Ti]=O CNP0587503.0 [2,0,0,0,0,0|2,0,0]=4 487 B2R0.1 OCO CNP0551435.0 [2,0,0,0,0,0|1,0,1]=4 488 B2R0.1 SCS CNP0488241.0 [2,0,0,0,0,0|1,1,0]=4 489 B2R0.1 [C-]#[N+]C CNP0561919.0 [2,0,0,0,0,0|1,0,1]=4 490 B2R0.1 [CH-]=CC CNP0546792.0 [2,0,0,0,0,0|1,0,0]=3 491 B2R0.1 [CH2]CC CNP0535049.0 [2,0,0,0,0,0|0,0,1]=3 492 B4R0.1 C#CC(=O)N CNP0485881.0 [1,1,0,0,0,0|0,0,2]=4 493 B4R0.1 C#CC(=O)O CNP0579203.0 [1,1,0,0,0,0|0,0,2]=4 494 B4R0.1 C#CC(C)C CNP0586699.0 [1,1,0,0,0,0|0,0,2]=4 495 B4R0.1 C=C(Br)CO CNP0506207.0 [1,1,0,0,0,0|1,0,1]=4 496 B4R0.1 C=C(C)C=O CNP0479149.0 [1,1,0,0,0,0|0,0,1]=3 497 B4R0.1 C=C(C)CC CNP0605035.0 [1,1,0,0,0,0|0,0,1]=3 498 B4R0.1 C=C(C)CO CNP0505353.0 [1,1,0,0,0,0|0,0,2]=4 499 B4R0.1 C=C(O)C=O CNP0542377.0 [1,1,0,0,0,0|0,0,2]=4 500 B4R0.1 C=CC(=C)C CNP0489519.0 [1,1,0,0,0,0|0,0,2]=4 501 B4R0.1 C=CC(=O)C CNP0571315.0 [1,1,0,0,0,0|0,0,2]=4 502 B4R0.1 C=CC(=O)Cl CNP0569586.0 [1,1,0,0,0,0|0,0,2]=4 503 B4R0.1 C=CC(=O)N CNP0574606.0 [1,1,0,0,0,0|0,0,2]=4 504 B4R0.1 C=CC(=O)O CNP0590547.0 [1,1,0,0,0,0|0,0,2]=4 505 B4R0.1 C=CC(=O)[O-] CNP0528918.0 [1,1,0,0,0,0|0,0,2]=4 506 B4R0.1 C=CC(C)C CNP0589769.0 [1,1,0,0,0,0|0,0,1]=3 507 B4R0.1 C=C[C@@H](C)O CNP0512445.2 [1,1,0,0,0,0|0,0,1]=3 508 B4R0.1 C=C[C@H](C)O CNP0512445.1 [1,1,0,0,0,0|0,0,1]=3 509 B4R0.1 CC(=O)C#N CNP0551952.0 [1,1,0,0,0,0|1,0,1]=4 510 B4R0.1 CC(=O)C=O CNP0574322.0 [1,1,0,0,0,0|0,0,1]=3 511 B4R0.1 CC(=O)CBr CNP0602861.0 [1,1,0,0,0,0|1,0,0]=3 512 B4R0.1 CC(=O)CI CNP0515381.0 [1,1,0,0,0,0|1,0,0]=3 513 B4R0.1 CC(=O)CN CNP0602829.0 [1,1,0,0,0,0|1,0,0]=3 514 B4R0.1 CC(=O)CO CNP0487266.0 [1,1,0,0,0,0|1,0,0]=3 515 B4R0.1 CC(=O)CS CNP0514893.0 [1,1,0,0,0,0|1,0,0]=3 516 B4R0.1 CC(=O)N=N CNP0591627.0 [1,1,0,0,0,0|2,0,0]=4 517 B4R0.1 CC(=O)NN CNP0503904.0 [1,1,0,0,0,0|2,0,0]=4 518 B4R0.1 CC(=O)NO CNP0518042.0 [1,1,0,0,0,0|2,0,0]=4 519 B4R0.1 CC(=O)OO CNP0491052.0 [1,1,0,0,0,0|2,0,0]=4 520 B4R0.1 CC(=O)O[Hg+] CNP0504265.0 [1,1,0,0,0,0|2,0,0]=4 521 B4R0.1 CC(C)C=O CNP0511471.0 [1,1,0,0,0,0|0,0,0]=2 522 B4R0.1 CC(C)C=[17O] CNP0484940.0 [1,1,0,0,0,0|0,0,0]=2 523 B4R0.1 CC(C)CN CNP0490050.0 [1,1,0,0,0,0|1,0,0]=3 524 B4R0.1 CC(C)CO CNP0493868.0 [1,1,0,0,0,0|0,0,1]=3 525 B4R0.1 CC(C)CS CNP0494383.0 [1,1,0,0,0,0|0,1,0]=3 526 B4R0.1 CC(N)C#N CNP0567528.0 [1,1,0,0,0,0|1,0,1]=4 527 B4R0.1 CC(N)C=O CNP0531209.0 [1,1,0,0,0,0|0,0,0]=2 528 B4R0.1 CC(N)CN CNP0579261.0 [1,1,0,0,0,0|1,0,0]=3 529 B4R0.1 CC(S)CS CNP0488983.0 [1,1,0,0,0,0|0,1,0]=3 530 B4R0.1 CC=C(C)C CNP0502707.0 [1,1,0,0,0,0|1,0,1]=4 531 B4R0.1 CCC(=N)S CNP0544659.0 [1,1,0,0,0,0|0,1,0]=3 532 B4R0.1 CCC(=O)Br CNP0583620.0 [1,1,0,0,0,0|0,0,0]=2 533 B4R0.1 CCC(=O)C CNP0486447.0 [1,1,0,0,0,0|0,0,0]=2 534 B4R0.1 CCC(=O)Cl CNP0502198.0 [1,1,0,0,0,0|0,0,0]=2 535 B4R0.1 CCC(=O)I CNP0549008.0 [1,1,0,0,0,0|0,0,0]=2 536 B4R0.1 CCC(=O)N CNP0512752.0 [1,1,0,0,0,0|0,0,0]=2 537 B4R0.1 CCC(=O)O CNP0572679.0 [1,1,0,0,0,0|0,0,0]=2 538 B4R0.1 CCC(=O)[O-] CNP0505645.0 [1,1,0,0,0,0|0,0,0]=2 539 B4R0.1 CCC(=O)[O-] CNP0584211.0 [1,1,0,0,0,0|0,0,0]=2 540 B4R0.1 CCC(=O)[O-] CNP0604604.0 [1,1,0,0,0,0|0,0,0]=2 541 B4R0.1 CCC(C)C CNP0492867.0 [1,1,0,0,0,0|0,0,1]=3 542 B4R0.1 CCC(C)N CNP0520467.0 [1,1,0,0,0,0|0,0,1]=3 543 B4R0.1 CCC(O)O CNP0533578.0 [1,1,0,0,0,0|0,0,1]=3 544 B4R0.1 CCC(O)S CNP0612126.0 [1,1,0,0,0,0|0,0,1]=3 545 B4R0.1 CC[C@@H](C)O CNP0577352.1 [1,1,0,0,0,0|0,0,1]=3 546 B4R0.1 CC[C@@H](C)S CNP0572211.1 [1,1,0,0,0,0|0,0,1]=3 547 B4R0.1 CC[C@H](C)O CNP0577352.2 [1,1,0,0,0,0|0,0,1]=3 548 B4R0.1 CN(C)C=O CNP0566193.0 [1,1,0,0,0,0|1,0,0]=3 549 B4R0.1 CN(C)C=S CNP0516551.0 [1,1,0,0,0,0|1,1,0]=4 550 B4R0.1 CN(C)N=O CNP0503536.0 [1,1,0,0,0,0|2,0,0]=4 551 B4R0.1 CN(N)C=O CNP0593819.0 [1,1,0,0,0,0|1,0,0]=3 552 B4R0.1 CN(O)C=S CNP0483835.0 [1,1,0,0,0,0|1,1,0]=4 553 B4R0.1 CN=C(N)N CNP0588415.0 [1,1,0,0,0,0|2,0,0]=4 554 B4R0.1 CNC(=N)N CNP0590894.0 [1,1,0,0,0,0|2,0,0]=4 555 B4R0.1 CNC(=O)C CNP0491397.0 [1,1,0,0,0,0|1,0,0]=3 556 B4R0.1 CNC(=O)N CNP0576116.0 [1,1,0,0,0,0|1,0,0]=3 557 B4R0.1 CNC(=O)O CNP0594440.0 [1,1,0,0,0,0|1,0,0]=3 558 B4R0.1 CNC(=S)N CNP0572685.0 [1,1,0,0,0,0|1,1,0]=4 559 B4R0.1 CNC(=S)S CNP0524147.0 [1,1,0,0,0,0|1,1,0]=4 560 B4R0.1 CNC(C)C CNP0489071.0 [1,1,0,0,0,0|1,0,1]=4 561 B4R0.1 COC(=O)C CNP0578880.0 [1,1,0,0,0,0|1,0,0]=3 562 B4R0.1 COC(=O)N CNP0575874.0 [1,1,0,0,0,0|1,0,0]=3 563 B4R0.1 CSC(=N)N CNP0572889.0 [1,1,0,0,0,0|2,0,0]=4 564 B4R0.1 CSC(=O)C CNP0491622.0 [1,1,0,0,0,0|1,0,0]=3 565 B4R0.1 CSC(C)C CNP0486491.0 [1,1,0,0,0,0|1,0,1]=4 566 B4R0.1 CSC(C)S CNP0497634.0 [1,1,0,0,0,0|1,0,1]=4 567 B4R0.1 C[C@@H](Cl)CCl CNP0573757.1 [1,1,0,0,0,0|1,0,0]=3 568 B4R0.1 C[C@@H](N)CO CNP0589695.1 [1,1,0,0,0,0|0,0,1]=3 569 B4R0.1 C[C@@H](O)C#N CNP0491457.1 [1,1,0,0,0,0|1,0,1]=4 570 B4R0.1 C[C@@H](O)C=O CNP0482941.1 [1,1,0,0,0,0|0,0,0]=2 571 B4R0.1 C[C@@H](O)CO CNP0522839.2 [1,1,0,0,0,0|0,0,1]=3 572 B4R0.1 C[C@H](N)CO CNP0589695.2 [1,1,0,0,0,0|0,0,1]=3 573 B4R0.1 C[C@H](O)C=O CNP0482941.2 [1,1,0,0,0,0|0,0,0]=2 574 B4R0.1 C[C@H](O)CBr CNP0593715.1 [1,1,0,0,0,0|1,0,0]=3 575 B4R0.1 C[C@H](O)CN CNP0571248.1 [1,1,0,0,0,0|1,0,0]=3 576 B4R0.1 C[C@H](O)CO CNP0522839.1 [1,1,0,0,0,0|0,0,1]=3 577 B4R0.1 C[C](C)C=O CNP0568847.0 [1,1,0,0,0,0|0,0,1]=3 578 B4R0.1 ClCC(Cl)Cl CNP0506621.0 [1,1,0,0,0,0|2,0,0]=4 579 B4R0.1 N=CC(=O)O CNP0521453.0 [1,1,0,0,0,0|1,0,1]=4 580 B4R0.1 NC(=O)CCl CNP0572781.0 [1,1,0,0,0,0|1,0,0]=3 581 B4R0.1 NC(=O)CI CNP0573172.0 [1,1,0,0,0,0|1,0,0]=3 582 B4R0.1 NC(=O)CO CNP0610142.0 [1,1,0,0,0,0|1,0,0]=3 583 B4R0.1 NC(=O)NO CNP0593192.0 [1,1,0,0,0,0|2,0,0]=4 584 B4R0.1 NCC(=O)N CNP0542212.0 [1,1,0,0,0,0|1,0,0]=3 585 B4R0.1 NCC(=O)O CNP0563879.0 [1,1,0,0,0,0|1,0,0]=3 586 B4R0.1 NCC(=O)[O] CNP0605168.0 [1,1,0,0,0,0|1,0,0]=3 587 B4R0.1 O=C(Cl)CCl CNP0491057.0 [1,1,0,0,0,0|1,0,0]=3 588 B4R0.1 O=C(Cl)CI CNP0533753.0 [1,1,0,0,0,0|1,0,0]=3 589 B4R0.1 O=C(Cl)SCl CNP0604698.0 [1,1,0,0,0,0|2,0,0]=4 590 B4R0.1 O=C(O)CBr CNP0605480.0 [1,1,0,0,0,0|1,0,0]=3 591 B4R0.1 O=C(O)CCl CNP0514898.0 [1,1,0,0,0,0|1,0,0]=3 592 B4R0.1 O=C(O)CI CNP0542117.0 [1,1,0,0,0,0|1,0,0]=3 593 B4R0.1 O=C(O)CO CNP0564020.0 [1,1,0,0,0,0|1,0,0]=3 594 B4R0.1 O=C(O)CS CNP0502399.0 [1,1,0,0,0,0|1,0,0]=3 595 B4R0.1 O=CC(=O)O CNP0571230.0 [1,1,0,0,0,0|1,0,1]=4 596 B4R0.1 O=CC(Br)Br CNP0551465.0 [1,1,0,0,0,0|1,0,0]=3 597 B4R0.1 O=CC(Cl)Cl CNP0500598.0 [1,1,0,0,0,0|1,0,0]=3 598 B4R0.1 OCC(Cl)Cl CNP0479097.0 [1,1,0,0,0,0|1,0,1]=4 599 B4R0.1 O[C@@H](Cl)CBr CNP0538567.1 [1,1,0,0,0,0|1,0,1]=4 600 B6R0.1 C#C[C@@H](O)CCC CNP0226736.1 [0,2,0,0,0,0|0,0,2]=4 601 B6R0.1 C#C[C@H](O)CCC CNP0226736.2 [0,2,0,0,0,0|0,0,2]=4 602 B6R0.1 C=C(C=O)CC=O CNP0191239.0 [0,2,0,0,0,0|0,0,2]=4 603 B6R0.1 C=C(CO)CCO CNP0082069.0 [0,2,0,0,0,0|1,0,1]=4 604 B6R0.1 C=C([CH]CC)CC CNP0529223.0 [0,2,0,0,0,0|1,0,1]=4 605 B6R0.1 C=CC(=O)CCC CNP0162905.0 [0,2,0,0,0,0|0,0,0]=2 606 B6R0.1 C=CC(=O)OCC CNP0197495.0 [0,2,0,0,0,0|1,0,0]=3 607 B6R0.1 C=CCC(=O)CC CNP0580605.0 [0,2,0,0,0,0|1,0,0]=3 608 B6R0.1 C=CCS(=S)OC CNP0557318.0 [0,2,0,0,0,0|2,0,0]=4 609 B6R0.1 C=CC[C@H](C)C=O CNP0283012.1 [0,2,0,0,0,0|0,0,1]=3 610 B6R0.1 C=CC[S@+]([O-])SC CNP0594212.2 [0,2,0,0,0,0|2,0,0]=4 611 B6R0.1 C=CC[S@@+]([O-])SC CNP0594212.1 [0,2,0,0,0,0|2,0,0]=4 612 B6R0.1 C=CC[S@@H+]([O-])SC CNP0536830.1 [0,2,0,0,0,0|2,0,0]=4 613 B6R0.1 C=C[C@@H](O)CC#N CNP0276029.1 [0,2,0,0,0,0|1,0,1]=4 614 B6R0.1 C=C[C@H](O)CCC CNP0193104.1 [0,2,0,0,0,0|1,0,0]=3 615 B6R0.1 CC(=CC=O)CO CNP0083852.0 [0,2,0,0,0,0|0,0,2]=4 616 B6R0.1 CC=C(C)CSC CNP0003230.0 [0,2,0,0,0,0|1,0,1]=4 617 B6R0.1 CC=CC(=O)CC CNP0127812.0 [0,2,0,0,0,0|0,0,2]=4 618 B6R0.1 CC=CC(=O)OC CNP0003452.0 [0,2,0,0,0,0|0,0,2]=4 619 B6R0.1 CC=NN(C)C=O CNP0241743.0 [0,2,0,0,0,0|1,0,1]=4 620 B6R0.1 CCC(=O)CSC CNP0170567.0 [0,2,0,0,0,0|1,0,0]=3 621 B6R0.1 CCC(Br)CCBr CNP0612222.0 [0,2,0,0,0,0|1,0,1]=4 622 B6R0.1 CCC(C)C=NO CNP0605626.0 [0,2,0,0,0,0|0,0,1]=3 623 B6R0.1 CCC(C)CC=O CNP0531748.0 [0,2,0,0,0,0|0,0,0]=2 624 B6R0.1 CCC(C)NC=O CNP0583042.0 [0,2,0,0,0,0|0,0,0]=2 625 B6R0.1 CCC(C)OC=O CNP0570369.0 [0,2,0,0,0,0|0,0,0]=2 626 B6R0.1 CCC(C)ON=O CNP0521211.0 [0,2,0,0,0,0|1,0,0]=3 627 B6R0.1 CCC=C(C)C=O CNP0245615.0 [0,2,0,0,0,0|0,0,1]=3 628 B6R0.1 CCC=C(C)CO CNP0511576.0 [0,2,0,0,0,0|0,0,2]=4 629 B6R0.1 CCCC(=NO)C CNP0211014.0 [0,2,0,0,0,0|0,0,1]=3 630 B6R0.1 CCCC(=O)C#N CNP0204240.0 [0,2,0,0,0,0|0,0,0]=2 631 B6R0.1 CCCC(=O)C=O CNP0111121.0 [0,2,0,0,0,0|0,0,0]=2 632 B6R0.1 CCCC(=O)CC CNP0248158.0 [0,2,0,0,0,0|0,0,0]=2 633 B6R0.1 CCCC(=O)CO CNP0084314.0 [0,2,0,0,0,0|0,0,0]=2 634 B6R0.1 CCCC(=O)OC CNP0159910.0 [0,2,0,0,0,0|0,0,0]=2 635 B6R0.1 CCCC(=O)SC CNP0084452.0 [0,2,0,0,0,0|0,0,0]=2 636 B6R0.1 CCCC(C)C#N CNP0583202.0 [0,2,0,0,0,0|1,0,1]=4 637 B6R0.1 CCC[C@@H](C)C=O CNP0370387.1 [0,2,0,0,0,0|0,0,0]=2 638 B6R0.1 CCC[C@@H](C)CC CNP0407855.1 [0,2,0,0,0,0|1,0,1]=4 639 B6R0.1 CCC[C@@H](C)CO CNP0356704.1 [0,2,0,0,0,0|0,0,2]=4 640 B6R0.1 CCC[C@@H](C)SC CNP0188673.1 [0,2,0,0,0,0|0,1,1]=4 641 B6R0.1 CCC[C@@H](O)CC CNP0346810.2 [0,2,0,0,0,0|0,0,2]=4 642 B6R0.1 CCC[C@H](C)CC CNP0407855.2 [0,2,0,0,0,0|1,0,1]=4 643 B6R0.1 CCC[C@H](C)CO CNP0356704.2 [0,2,0,0,0,0|0,0,2]=4 644 B6R0.1 CCC[C@H](C)NC CNP0298650.1 [0,2,0,0,0,0|1,0,1]=4 645 B6R0.1 CCC[C@H](O)CC CNP0346810.1 [0,2,0,0,0,0|0,0,2]=4 646 B6R0.1 CCC[S+]([O-])SC CNP0596263.0 [0,2,0,0,0,0|1,0,1]=4 647 B6R0.1 CCNC(=O)CC CNP0586892.0 [0,2,0,0,0,0|1,0,0]=3 648 B6R0.1 CCNC(=O)OC CNP0585352.0 [0,2,0,0,0,0|1,0,0]=3 649 B6R0.1 CCOC(=O)C=O CNP0218484.0 [0,2,0,0,0,0|0,0,1]=3 650 B6R0.1 CCOC(=O)CC CNP0169171.0 [0,2,0,0,0,0|1,0,0]=3 651 B6R0.1 CCOC(=O)CI CNP0158474.0 [0,2,0,0,0,0|1,0,0]=3 652 B6R0.1 CCOC(=O)NC CNP0565390.0 [0,2,0,0,0,0|1,0,0]=3 653 B6R0.1 CCOC(C)CC CNP0086282.0 [0,2,0,0,0,0|1,0,1]=4 654 B6R0.1 CCOC(C)OC CNP0612171.0 [0,2,0,0,0,0|2,0,0]=4 655 B6R0.1 CCO[C@H](C)OO CNP0135079.1 [0,2,0,0,0,0|1,0,1]=4 656 B6R0.1 CCSC(=O)CC CNP0265303.0 [0,2,0,0,0,0|1,0,0]=3 657 B6R0.1 CCSC(C)SC CNP0611888.0 [0,2,0,0,0,0|2,0,0]=4 658 B6R0.1 CCSC(S)CC CNP0488688.0 [0,2,0,0,0,0|1,0,1]=4 659 B6R0.1 CC[C@@H](C)CCO CNP0260863.2 [0,2,0,0,0,0|0,0,2]=4 660 B6R0.1 CC[C@@H](C)N=C=S CNP0416348.1 [0,2,0,0,0,0|0,1,1]=4 661 B6R0.1 CC[C@@H](C)SSC CNP0348346.1 [0,2,0,0,0,0|1,1,0]=4 662 B6R0.1 CC[C@H](C)CCO CNP0260863.1 [0,2,0,0,0,0|0,0,2]=4 663 B6R0.1 CC[C@H](C)N=C=S CNP0416348.2 [0,2,0,0,0,0|0,1,1]=4 664 B6R0.1 CNCC(=O)OC CNP0311286.0 [0,2,0,0,0,0|1,0,0]=3 665 B6R0.1 COC(=O)CC=O CNP0187576.0 [0,2,0,0,0,0|0,0,1]=3 666 B6R0.1 COC(=O)CSC CNP0189712.0 [0,2,0,0,0,0|1,0,0]=3 667 B6R0.1 COCC(=O)OC CNP0202591.0 [0,2,0,0,0,0|1,0,0]=3 668 B6R0.1 COC[C@@H](O)CO CNP0105123.1 [0,2,0,0,0,0|0,0,2]=4 669 B6R0.1 COC[C@H](O)CO CNP0105123.2 [0,2,0,0,0,0|0,0,2]=4 670 B6R0.1 CSC(C)CC=O CNP0002406.0 [0,2,0,0,0,0|0,0,0]=2 671 B6R0.1 NC(C=O)CC=O CNP0515395.0 [0,2,0,0,0,0|0,0,1]=3 672 B6R0.1 NCC[C@@H](O)CN CNP0347226.2 [0,2,0,0,0,0|1,0,1]=4 673 B6R0.1 NCC[C@H](O)CN CNP0347226.1 [0,2,0,0,0,0|1,0,1]=4 674 B6R0.1 O=CC(=O)CCO CNP0294743.0 [0,2,0,0,0,0|0,0,1]=3 675 B6R0.1 OCC[C@H](O)CO CNP0190269.1 [0,2,0,0,0,0|0,0,2]=4 676 B6R0.1 OC[C@@H](O)CSO CNP0536094.1 [0,2,0,0,0,0|1,0,1]=4 677 B6R0.2 C=C(C)CC(=O)C CNP0331918.0 [0,2,0,0,0,0|0,0,1]=3 678 B6R0.2 C=C(N)CC(=O)O CNP0312147.0 [0,2,0,0,0,0|0,0,2]=4 679 B6R0.2 C=C(O)CC(=O)O CNP0082070.0 [0,2,0,0,0,0|0,0,2]=4 680 B6R0.2 CC(=CC(=O)Cl)C CNP0301599.0 [0,2,0,0,0,0|0,0,2]=4 681 B6R0.2 CC(=CC(=O)N)C CNP0186116.0 [0,2,0,0,0,0|0,0,2]=4 682 B6R0.2 CC(=CC(=O)O)C CNP0191929.0 [0,2,0,0,0,0|0,0,2]=4 683 B6R0.2 CC(=CC(=O)O)O CNP0487751.0 [0,2,0,0,0,0|0,0,2]=4 684 B6R0.2 CC(=CC(C)C)C CNP0084966.0 [0,2,0,0,0,0|1,0,1]=4 685 B6R0.2 CC(=C[13C](=O)C)C CNP0541964.0 [0,2,0,0,0,0|0,0,2]=4 686 B6R0.2 CC(=N)CC(=O)C CNP0178786.0 [0,2,0,0,0,0|0,0,1]=3 687 B6R0.2 CC(=N)C[N+](=O)[O-] CNP0571090.0 [0,2,0,0,0,0|1,0,1]=4 688 B6R0.2 CC(=O)C=C(C)C CNP0258331.0 [0,2,0,0,0,0|0,0,2]=4 689 B6R0.2 CC(=O)C=C(C)O CNP0344390.0 [0,2,0,0,0,0|0,0,2]=4 690 B6R0.2 CC(=O)CC(=O)C CNP0267628.0 [0,2,0,0,0,0|0,0,1]=3 691 B6R0.2 CC(=O)CC(=O)N CNP0237689.0 [0,2,0,0,0,0|0,0,1]=3 692 B6R0.2 CC(=O)CC(=O)O CNP0286292.0 [0,2,0,0,0,0|0,0,1]=3 693 B6R0.2 CC(=O)CC(C)C CNP0178924.0 [0,2,0,0,0,0|0,0,0]=2 694 B6R0.2 CC(=O)C[C@@H](C)O CNP0209002.1 [0,2,0,0,0,0|0,0,0]=2 695 B6R0.2 CC(=O)C[C@H](C)O CNP0209002.2 [0,2,0,0,0,0|0,0,0]=2 696 B6R0.2 CC(=O)NC(=O)C CNP0582746.0 [0,2,0,0,0,0|1,0,1]=4 697 B6R0.2 CC(=O)NC(=O)N CNP0114939.0 [0,2,0,0,0,0|1,0,1]=4 698 B6R0.2 CC(=O)OC(=O)C CNP0296904.0 [0,2,0,0,0,0|1,0,1]=4 699 B6R0.2 CC(=O)OC(C)C CNP0234567.0 [0,2,0,0,0,0|1,0,0]=3 700 B6R0.2 CC(=O)SC(=O)C CNP0165468.0 [0,2,0,0,0,0|1,0,1]=4 701 B6R0.2 CC(=S)OC(C)C CNP0539735.0 [0,2,0,0,0,0|1,1,0]=4 702 B6R0.2 CC(Br)C=C(Br)Br CNP0435859.0 [0,2,0,0,0,0|1,0,1]=4 703 B6R0.2 CC(C)CC(=O)N CNP0512695.0 [0,2,0,0,0,0|0,0,0]=2 704 B6R0.2 CC(C)CC(C)C CNP0241759.0 [0,2,0,0,0,0|1,0,1]=4 705 B6R0.2 CC(C)CC(C)O CNP0493734.0 [0,2,0,0,0,0|0,0,2]=4 706 B6R0.2 CC(C)C[C@@H](C)N CNP0556567.1 [0,2,0,0,0,0|1,0,1]=4 707 B6R0.2 CC(C)C[S@@+](C)[O-] CNP0553779.1 [0,2,0,0,0,0|1,0,1]=4 708 B6R0.2 CC(C)C[S@@H+](C)[O-] CNP0593384.1 [0,2,0,0,0,0|1,0,1]=4 709 B6R0.2 CC(C)NC(=O)N CNP0331187.0 [0,2,0,0,0,0|1,0,0]=3 710 B6R0.2 CC(C)NC(=S)N CNP0284249.0 [0,2,0,0,0,0|1,1,0]=4 711 B6R0.2 CC(C)SC(=N)N CNP0584188.0 [0,2,0,0,0,0|2,0,0]=4 712 B6R0.2 CC(O)CC(=O)N CNP0217857.0 [0,2,0,0,0,0|0,0,0]=2 713 B6R0.2 CN(C)CC(=O)Cl CNP0017846.0 [0,2,0,0,0,0|1,0,0]=3 714 B6R0.2 CN(C)CC(=O)N CNP0045146.0 [0,2,0,0,0,0|1,0,0]=3 715 B6R0.2 CN(C)CC(=O)O CNP0175140.0 [0,2,0,0,0,0|1,0,0]=3 716 B6R0.2 C[C@@H](N)CC(=O)O CNP0287180.2 [0,2,0,0,0,0|0,0,0]=2 717 B6R0.2 C[C@@H](O)CC(=O)O CNP0161860.1 [0,2,0,0,0,0|0,0,0]=2 718 B6R0.2 C[C@@H](O)C[C@@H](C)O CNP0138640.1 [0,2,0,0,0,0|0,0,2]=4 719 B6R0.2 C[C@H](N)CC(=O)O CNP0287180.1 [0,2,0,0,0,0|0,0,0]=2 720 B6R0.2 C[C@H](O)CC(=O)O CNP0161860.2 [0,2,0,0,0,0|0,0,0]=2 721 B6R0.2 C[C@H]([13CH3])CC(=O)O CNP0175489.1 [0,2,0,0,0,0|0,0,0]=2 722 B6R0.2 C[C](C)CC(=O)O CNP0606523.0 [0,2,0,0,0,0|0,0,1]=3 723 B6R0.2 C[S+](C)CC(=O)O CNP0149325.0 [0,2,0,0,0,0|1,0,0]=3 724 B6R0.2 C[S+](C)CC(=O)[O-] CNP0153505.0 [0,2,0,0,0,0|1,0,0]=3 725 B6R0.2 NC(=O)CC(=O)N CNP0249745.0 [0,2,0,0,0,0|1,0,1]=4 726 B6R0.2 NC(=O)CC(=O)O CNP0514577.0 [0,2,0,0,0,0|1,0,1]=4 727 B6R0.2 O=C(Cl)CC(=O)Cl CNP0314978.0 [0,2,0,0,0,0|1,0,1]=4 728 B6R0.2 O=C(O)CC(=O)O CNP0327247.0 [0,2,0,0,0,0|1,0,1]=4 729 B6R0.3 C#C[C@H](N)C(=O)O CNP0348654.1 [0,2,0,0,0,0|0,0,2]=4 730 B6R0.3 C=C(C)[C@H](C)CC CNP0076705.1 [0,2,0,0,0,0|1,0,0]=3 731 B6R0.3 C=C(CC)C(=O)O CNP0082368.0 [0,2,0,0,0,0|0,0,1]=3 732 B6R0.3 C=C(CN)C(=O)O CNP0223341.0 [0,2,0,0,0,0|1,0,1]=4 733 B6R0.3 C=C(NC)C(=O)O CNP0542368.0 [0,2,0,0,0,0|1,0,1]=4 734 B6R0.3 C=CC(=O)C(C)C CNP0350661.0 [0,2,0,0,0,0|1,0,1]=4 735 B6R0.3 C=C[C@@H](N)C(=O)O CNP0240520.1 [0,2,0,0,0,0|0,0,2]=4 736 B6R0.3 C=C[C@H](N)C(=O)O CNP0240520.2 [0,2,0,0,0,0|0,0,2]=4 737 B6R0.3 CC(=O)C(C)C#N CNP0503071.0 [0,2,0,0,0,0|1,0,1]=4 738 B6R0.3 CC(C)C(C)CO CNP0127606.0 [0,2,0,0,0,0|0,0,2]=4 739 B6R0.3 CC(C)C(N)C=O CNP0484074.0 [0,2,0,0,0,0|0,0,0]=2 740 B6R0.3 CC(C)C(N)C=O CNP0491546.0 [0,2,0,0,0,0|0,0,0]=2 741 B6R0.3 CC(C)C(N)C=O CNP0498484.0 [0,2,0,0,0,0|0,0,0]=2 742 B6R0.3 CC(C)[C@@H](N)CO CNP0177308.2 [0,2,0,0,0,0|0,0,2]=4 743 B6R0.3 CC(C)[C@@H](O)C#N CNP0164289.1 [0,2,0,0,0,0|1,0,1]=4 744 B6R0.3 CC(C)[C@@H](S)CO CNP0191310.1 [0,2,0,0,0,0|0,0,2]=4 745 B6R0.3 CC(C)[C@H](N)CO CNP0177308.1 [0,2,0,0,0,0|0,0,2]=4 746 B6R0.3 CC=C(C)C(=O)C CNP0119709.0 [0,2,0,0,0,0|0,0,2]=4 747 B6R0.3 CC=C(C)C(=O)N CNP0399229.0 [0,2,0,0,0,0|0,0,2]=4 748 B6R0.3 CC=C(C)C(=O)O CNP0238363.0 [0,2,0,0,0,0|0,0,2]=4 749 B6R0.3 CC=C(N)C(=O)O CNP0146934.0 [0,2,0,0,0,0|0,0,2]=4 750 B6R0.3 CCC(=C(C)C)C CNP0076862.0 [0,2,0,0,0,0|1,0,1]=4 751 B6R0.3 CCC(=O)C(=O)C CNP0311036.0 [0,2,0,0,0,0|0,0,1]=3 752 B6R0.3 CCC(=O)C(=O)O CNP0283357.0 [0,2,0,0,0,0|0,0,1]=3 753 B6R0.3 CCC(O)C(=O)C CNP0413470.0 [0,2,0,0,0,0|0,0,0]=2 754 B6R0.3 CCC(O)C(C)C CNP0265736.0 [0,2,0,0,0,0|1,0,1]=4 755 B6R0.3 CCC(O)C(C)O CNP0519497.0 [0,2,0,0,0,0|0,0,2]=4 756 B6R0.3 CCC(S)C(=O)C CNP0064467.0 [0,2,0,0,0,0|0,0,0]=2 757 B6R0.3 CCC(S)C(C)C CNP0611989.0 [0,2,0,0,0,0|1,0,1]=4 758 B6R0.3 CC[C@@H](C)C(=O)C CNP0151175.1 [0,2,0,0,0,0|0,0,0]=2 759 B6R0.3 CC[C@@H](C)C(=O)Cl CNP0146254.2 [0,2,0,0,0,0|0,0,0]=2 760 B6R0.3 CC[C@@H](C)C(=O)N CNP0157695.1 [0,2,0,0,0,0|0,0,0]=2 761 B6R0.3 CC[C@@H](C)C(=O)O CNP0187792.1 [0,2,0,0,0,0|0,0,0]=2 762 B6R0.3 CC[C@@H](C)C(O)O CNP0597016.1 [0,2,0,0,0,0|0,0,2]=4 763 B6R0.3 CC[C@@H](C)[C@@H](C)O CNP0061619.1 [0,2,0,0,0,0|0,0,2]=4 764 B6R0.3 CC[C@@H](N)C(=O)O CNP0243222.1 [0,2,0,0,0,0|0,0,0]=2 765 B6R0.3 CC[C@@H](O)C(=O)C CNP0413470.1 [0,2,0,0,0,0|0,0,0]=2 766 B6R0.3 CC[C@@H](O)C(=O)O CNP0162708.1 [0,2,0,0,0,0|0,0,0]=2 767 B6R0.3 CC[C@H](C)C(=O)C CNP0151175.2 [0,2,0,0,0,0|0,0,0]=2 768 B6R0.3 CC[C@H](C)C(=O)Cl CNP0146254.1 [0,2,0,0,0,0|0,0,0]=2 769 B6R0.3 CC[C@H](C)C(=O)N CNP0157695.2 [0,2,0,0,0,0|0,0,0]=2 770 B6R0.3 CC[C@H](C)C(=O)O CNP0187792.2 [0,2,0,0,0,0|0,0,0]=2 771 B6R0.3 CC[C@H](C)C(C)C CNP0304167.1 [0,2,0,0,0,0|1,0,1]=4 772 B6R0.3 CC[C@H](C)[C@@H](C)O CNP0061619.2 [0,2,0,0,0,0|0,0,2]=4 773 B6R0.3 CC[C@H](N)C(=O)O CNP0243222.3 [0,2,0,0,0,0|0,0,0]=2 774 B6R0.3 CC[C@H](O)C(=O)O CNP0162708.2 [0,2,0,0,0,0|0,0,0]=2 775 B6R0.3 CNC(=O)C(=O)O CNP0336017.0 [0,2,0,0,0,0|1,0,1]=4 776 B6R0.3 CN[C@@H](C)C(=O)O CNP0126063.1 [0,2,0,0,0,0|1,0,0]=3 777 B6R0.3 CN[C@H](C)C(=O)O CNP0126063.2 [0,2,0,0,0,0|1,0,0]=3 778 B6R0.3 COC(=O)C(=O)C CNP0301085.0 [0,2,0,0,0,0|1,0,1]=4 779 B6R0.3 COC(=O)C(=O)Cl CNP0247015.0 [0,2,0,0,0,0|1,0,1]=4 780 B6R0.3 COC(=O)C(=O)O CNP0117987.0 [0,2,0,0,0,0|1,0,1]=4 781 B6R0.3 CO[C@@H](C)C(=O)C CNP0325332.1 [0,2,0,0,0,0|1,0,0]=3 782 B6R0.3 CSC(C)C(=O)C CNP0075921.0 [0,2,0,0,0,0|1,0,0]=3 783 B6R0.3 CSC(C)C(C)C CNP0245218.0 [0,2,0,0,0,0|2,0,0]=4 784 B6R0.3 C[C@@H](C=O)C(=O)O CNP0083546.1 [0,2,0,0,0,0|1,0,1]=4 785 B6R0.3 C[C@@H](CN)C(=O)O CNP0291505.1 [0,2,0,0,0,0|1,0,0]=3 786 B6R0.3 C[C@@H](CO)C(=O)O CNP0257203.1 [0,2,0,0,0,0|1,0,0]=3 787 B6R0.3 C[C@@H](O)[C@@H](C)CO CNP0424442.1 [0,2,0,0,0,0|0,0,2]=4 788 B6R0.3 C[C@@H](O)[C@@H](O)CO CNP0199934.3 [0,2,0,0,0,0|0,0,2]=4 789 B6R0.3 C[C@@H](O)[C@H](N)C=O CNP0119001.1 [0,2,0,0,0,0|0,0,0]=2 790 B6R0.3 C[C@@H](O)[C@H](N)CO CNP0049541.1 [0,2,0,0,0,0|0,0,2]=4 791 B6R0.3 C[C@@H](O)[C@H](O)CO CNP0199934.1 [0,2,0,0,0,0|0,0,2]=4 792 B6R0.3 C[C@H](CN)C(=O)O CNP0291505.2 [0,2,0,0,0,0|1,0,0]=3 793 B6R0.3 C[C@H](CO)C(=O)O CNP0257203.2 [0,2,0,0,0,0|1,0,0]=3 794 B6R0.3 C[C@H](NO)C(=O)O CNP0221656.1 [0,2,0,0,0,0|2,0,0]=4 795 B6R0.3 C[C@H](O)[C@H](O)CO CNP0199934.2 [0,2,0,0,0,0|0,0,2]=4 796 B6R0.3 NC(=O)[C@@H](N)CS CNP0562682.1 [0,2,0,0,0,0|1,0,0]=3 797 B6R0.3 NC(=O)[C@@H](O)CO CNP0263493.1 [0,2,0,0,0,0|1,0,0]=3 798 B6R0.3 NC[C@@H](N)C(=O)O CNP0403048.1 [0,2,0,0,0,0|1,0,0]=3 799 B6R0.3 NC[C@@H](O)C(=O)O CNP0213687.1 [0,2,0,0,0,0|1,0,0]=3 800 B6R0.3 NC[C@H](N)C(=O)O CNP0403048.2 [0,2,0,0,0,0|1,0,0]=3 801 B6R0.3 N[C@@H](C=O)C(=O)O CNP0082836.1 [0,2,0,0,0,0|1,0,1]=4 802 B6R0.3 N[C@@H](CO)C(=O)O CNP0275512.1 [0,2,0,0,0,0|1,0,0]=3 803 B6R0.3 N[C@@H](CS)C(=O)O CNP0280490.1 [0,2,0,0,0,0|1,0,0]=3 804 B6R0.3 N[C@@H](CS)C(=O)O CNP0543246.1 [0,2,0,0,0,0|1,0,0]=3 805 B6R0.3 N[C@@H](C[SeH])C(=O)O CNP0105616.1 [0,2,0,0,0,0|1,0,0]=3 806 B6R0.3 N[C@@H](C[Se])C(=O)O CNP0539066.1 [0,2,0,0,0,0|1,0,0]=3 807 B6R0.3 N[C@H](CCl)C(=O)O CNP0597943.1 [0,2,0,0,0,0|1,0,0]=3 808 B6R0.3 N[C@H](CO)C(=O)O CNP0275512.2 [0,2,0,0,0,0|1,0,0]=3 809 B6R0.3 N[C@H](CS)C(=O)O CNP0280490.2 [0,2,0,0,0,0|1,0,0]=3 810 B6R0.3 N[C@H](C[SeH])C(=O)O CNP0105616.2 [0,2,0,0,0,0|1,0,0]=3 811 B6R0.3 O=C(O)C(=O)CO CNP0343498.0 [0,2,0,0,0,0|1,0,1]=4 812 B6R0.3 O=C(O)C(=O)CS CNP0172399.0 [0,2,0,0,0,0|1,0,1]=4 813 B6R0.3 O=C(O)[C@@H](O)CCl CNP0460792.2 [0,2,0,0,0,0|1,0,0]=3 814 B6R0.3 O=C(O)[C@@H](O)CO CNP0264905.2 [0,2,0,0,0,0|1,0,0]=3 815 B6R0.3 O=C(O)[C@@H](O)CS CNP0083519.1 [0,2,0,0,0,0|1,0,0]=3 816 B6R0.3 O=C(O)[C@H](O)CCl CNP0460792.1 [0,2,0,0,0,0|1,0,0]=3 817 B6R0.3 O=C(O)[C@H](O)CO CNP0264905.1 [0,2,0,0,0,0|1,0,0]=3 818 B6R0.3 O=C([O-])C(=O)CS CNP0525904.0 [0,2,0,0,0,0|1,0,1]=4 819 B6R0.3 O=CC(O)C(=O)O CNP0083603.0 [0,2,0,0,0,0|1,0,1]=4 820 B6R0.3 [C-]#[N+][C@@H](C)C(=O)O CNP0523631.1 [0,2,0,0,0,0|1,0,1]=4 821 B6R0.4 C#CNCC(=O)O CNP0073758.0 [0,2,0,0,0,0|0,0,2]=4 822 B6R0.4 C=C(C)CCSC CNP0330891.0 [0,2,0,0,0,0|1,0,0]=3 823 B6R0.4 C=CCCC(=O)C CNP0610109.0 [0,2,0,0,0,0|0,0,1]=3 824 B6R0.4 C=CCCC(=O)N CNP0118917.0 [0,2,0,0,0,0|0,0,1]=3 825 B6R0.4 C=CCCC(=O)O CNP0003359.0 [0,2,0,0,0,0|0,0,1]=3 826 B6R0.4 C=CCCC(C)O CNP0519217.0 [0,2,0,0,0,0|1,0,0]=3 827 B6R0.4 C=CCOC(=O)C CNP0175648.0 [0,2,0,0,0,0|0,0,2]=4 828 B6R0.4 C=CCOS(=S)C CNP0604033.0 [0,2,0,0,0,0|2,0,0]=4 829 B6R0.4 C=CCSC(=O)C CNP0301401.0 [0,2,0,0,0,0|0,0,2]=4 830 B6R0.4 C=CCSC(C)C CNP0309084.0 [0,2,0,0,0,0|1,0,0]=3 831 B6R0.4 C=CCS[S@+](C)[O-] CNP0503783.1 [0,2,0,0,0,0|2,0,0]=4 832 B6R0.4 C=CCS[S@H+](C)[O-] CNP0588299.1 [0,2,0,0,0,0|2,0,0]=4 833 B6R0.4 CC(=CCC=O)C CNP0094675.0 [0,2,0,0,0,0|0,0,1]=3 834 B6R0.4 CC(=CCCN)C CNP0568876.0 [0,2,0,0,0,0|1,0,1]=4 835 B6R0.4 CC(=CCCO)C CNP0410779.0 [0,2,0,0,0,0|1,0,1]=4 836 B6R0.4 CC(=O)CCC=O CNP0261239.0 [0,2,0,0,0,0|0,0,0]=2 837 B6R0.4 CC(=O)NCCN CNP0182526.0 [0,2,0,0,0,0|1,0,0]=3 838 B6R0.4 CC(=O)NCCO CNP0304709.0 [0,2,0,0,0,0|1,0,0]=3 839 B6R0.4 CC(=O)NCCS CNP0516453.0 [0,2,0,0,0,0|1,0,0]=3 840 B6R0.4 CC(=O)OCCI CNP0274212.0 [0,2,0,0,0,0|1,0,0]=3 841 B6R0.4 CC(=O)OCCN CNP0165405.0 [0,2,0,0,0,0|1,0,0]=3 842 B6R0.4 CC(=O)OCCO CNP0589275.0 [0,2,0,0,0,0|1,0,0]=3 843 B6R0.4 CC(C)C=CC=O CNP0003528.0 [0,2,0,0,0,0|0,0,1]=3 844 B6R0.4 CC(C)CC#CO CNP0482838.0 [0,2,0,0,0,0|0,0,2]=4 845 B6R0.4 CC(C)CC=NO CNP0235743.0 [0,2,0,0,0,0|0,0,1]=3 846 B6R0.4 CC(C)CCC#N CNP0386277.0 [0,2,0,0,0,0|1,0,1]=4 847 B6R0.4 CC(C)CCC=O CNP0198082.0 [0,2,0,0,0,0|0,0,0]=2 848 B6R0.4 CC(C)CCCO CNP0344466.0 [0,2,0,0,0,0|0,0,2]=4 849 B6R0.4 CC(C)CN=C=S CNP0414473.0 [0,2,0,0,0,0|0,1,1]=4 850 B6R0.4 CC(C)CNC=O CNP0473867.0 [0,2,0,0,0,0|0,0,0]=2 851 B6R0.4 CC(C)COC=O CNP0232692.0 [0,2,0,0,0,0|0,0,0]=2 852 B6R0.4 CC(C)CON=O CNP0224607.0 [0,2,0,0,0,0|1,0,0]=3 853 B6R0.4 CC(C)CSC#N CNP0268195.0 [0,2,0,0,0,0|1,0,1]=4 854 B6R0.4 CC(C)NCCN CNP0082470.0 [0,2,0,0,0,0|1,0,1]=4 855 B6R0.4 CC(C)NCCO CNP0141461.0 [0,2,0,0,0,0|0,0,2]=4 856 B6R0.4 CC(C)OCCO CNP0079907.0 [0,2,0,0,0,0|0,0,2]=4 857 B6R0.4 CC=CCC(=O)O CNP0610144.0 [0,2,0,0,0,0|0,0,1]=3 858 B6R0.4 CC=CCC(C)C CNP0081831.0 [0,2,0,0,0,0|1,0,0]=3 859 B6R0.4 CC=CCC(C)O CNP0217280.0 [0,2,0,0,0,0|1,0,0]=3 860 B6R0.4 CCC=CC(=O)C CNP0129352.0 [0,2,0,0,0,0|0,0,1]=3 861 B6R0.4 CCC=CC(=O)O CNP0185292.0 [0,2,0,0,0,0|0,0,1]=3 862 B6R0.4 CCCC=C(C)O CNP0268446.0 [0,2,0,0,0,0|0,0,1]=3 863 B6R0.4 CCCCB(O)O CNP0482760.0 [0,2,0,0,0,0|0,0,2]=4 864 B6R0.4 CCCCC(=O)C CNP0194685.0 [0,2,0,0,0,0|0,0,0]=2 865 B6R0.4 CCCCC(=O)N CNP0248834.0 [0,2,0,0,0,0|0,0,0]=2 866 B6R0.4 CCCCC(=O)O CNP0144818.0 [0,2,0,0,0,0|0,0,0]=2 867 B6R0.4 CCCCC(C)C CNP0312749.0 [0,2,0,0,0,0|1,0,1]=4 868 B6R0.4 CCCC[11C](=O)O CNP0540258.0 [0,2,0,0,0,0|0,0,0]=2 869 B6R0.4 CCCC[C@@H](C)O CNP0276755.1 [0,2,0,0,0,0|0,0,2]=4 870 B6R0.4 CCCC[C@H](C)O CNP0276755.2 [0,2,0,0,0,0|0,0,2]=4 871 B6R0.4 CCCNC(=O)C CNP0115400.0 [0,2,0,0,0,0|0,0,0]=2 872 B6R0.4 CCCOC(=O)C CNP0274142.0 [0,2,0,0,0,0|0,0,0]=2 873 B6R0.4 CCCSC(=O)C CNP0076500.0 [0,2,0,0,0,0|0,0,0]=2 874 B6R0.4 CCCSC(C)C CNP0228244.0 [0,2,0,0,0,0|1,0,1]=4 875 B6R0.4 CCCSC(C)S CNP0609747.0 [0,2,0,0,0,0|0,1,1]=4 876 B6R0.4 CCCS[S+](C)[O-] CNP0597218.0 [0,2,0,0,0,0|1,0,1]=4 877 B6R0.4 CCNCC(=O)O CNP0076362.0 [0,2,0,0,0,0|0,0,0]=2 878 B6R0.4 CCNCC(C)C CNP0165310.0 [0,2,0,0,0,0|1,0,1]=4 879 B6R0.4 CCOCC(=O)N CNP0329352.0 [0,2,0,0,0,0|0,0,0]=2 880 B6R0.4 CCOCC(=O)O CNP0229583.0 [0,2,0,0,0,0|0,0,0]=2 881 B6R0.4 CCOC[C@@H](C)O CNP0076159.1 [0,2,0,0,0,0|0,0,2]=4 882 B6R0.4 CCSCC(C)C CNP0208462.0 [0,2,0,0,0,0|1,0,1]=4 883 B6R0.4 CNCCC(=O)O CNP0502963.0 [0,2,0,0,0,0|0,0,0]=2 884 B6R0.4 CNCCC(C)C CNP0254439.0 [0,2,0,0,0,0|1,0,1]=4 885 B6R0.4 COCC=C(C)C CNP0493784.0 [0,2,0,0,0,0|1,0,1]=4 886 B6R0.4 COCCC(C)C CNP0316382.0 [0,2,0,0,0,0|0,0,2]=4 887 B6R0.4 COCCN(C)C CNP0429553.0 [0,2,0,0,0,0|2,0,0]=4 888 B6R0.4 CSC=CC(=O)N CNP0140289.0 [0,2,0,0,0,0|0,0,2]=4 889 B6R0.4 CSC=CC(=O)O CNP0140653.0 [0,2,0,0,0,0|0,0,2]=4 890 B6R0.4 CSCCC(=O)C CNP0353152.0 [0,2,0,0,0,0|0,0,0]=2 891 B6R0.4 CSCCC(=O)N CNP0220146.0 [0,2,0,0,0,0|0,0,0]=2 892 B6R0.4 CSCCC(=O)O CNP0143779.0 [0,2,0,0,0,0|0,0,0]=2 893 B6R0.4 CSCC[C@@H](C)O CNP0206291.1 [0,2,0,0,0,0|0,0,2]=4 894 B6R0.4 CSCSC(=O)C CNP0232862.0 [0,2,0,0,0,0|1,0,0]=3 895 B6R0.4 C[N+]CCC(=O)[O-] CNP0588104.0 [0,2,0,0,0,0|0,0,0]=2 896 B6R0.4 C[S+](C)CCC=O CNP0136791.0 [0,2,0,0,0,0|0,0,0]=2 897 B6R0.4 C[S@+]([O-])CCCN CNP0591601.1 [0,2,0,0,0,0|1,0,1]=4 898 B6R0.4 C[S@H+]([O-])CCCN CNP0545944.1 [0,2,0,0,0,0|1,0,1]=4 899 B6R0.4 N=C(N)NCC=O CNP0478435.0 [0,2,0,0,0,0|1,0,1]=4 900 B6R0.4 N=CNCC(=O)O CNP0218776.0 [0,2,0,0,0,0|1,0,1]=4 901 B6R0.4 NC(=O)CCCO CNP0573523.0 [0,2,0,0,0,0|0,0,0]=2 902 B6R0.4 NCC=CC(=O)O CNP0250683.0 [0,2,0,0,0,0|0,0,2]=4 903 B6R0.4 NCCCC(=O)O CNP0116256.0 [0,2,0,0,0,0|0,0,0]=2 904 B6R0.4 NCCN[N+](=O)[O-] CNP0355337.0 [0,2,0,0,0,0|2,0,0]=4 905 B6R0.4 O=C(O)C=CCO CNP0097506.0 [0,2,0,0,0,0|0,0,2]=4 906 B6R0.4 O=C(O)CCCO CNP0236331.0 [0,2,0,0,0,0|0,0,0]=2 907 B6R0.4 O=C([O-])CCCO CNP0492590.0 [0,2,0,0,0,0|0,0,0]=2 908 B6R0.4 O=CCCC(=O)O CNP0318740.0 [0,2,0,0,0,0|0,0,1]=3 909 B6R0.4 O=CNCC(=O)O CNP0082901.0 [0,2,0,0,0,0|1,0,1]=4 910 B6R0.4 O=S(=O)OCCO CNP0082071.0 [0,2,0,0,0,0|2,0,0]=4 911 B6R0.4 O=[N+]([O-])CCCO CNP0184942.0 [0,2,0,0,0,0|1,0,0]=3 912 B6R0.5 C=CCS(=O)(=O)C CNP0075734.0 [0,2,0,0,0,0|2,0,0]=4 913 B6R0.5 CC(C)(C)OC=O CNP0495948.0 [0,2,0,0,0,0|1,0,0]=3 914 B6R0.5 CC(C)(O)CNCl CNP0247437.0 [0,2,0,0,0,0|2,0,0]=4 915 B6R0.5 CC(C)(S)CCO CNP0215542.0 [0,2,0,0,0,0|0,0,2]=4 916 B6R0.5 CC=CC(C)(C)C CNP0120515.0 [0,2,0,0,0,0|1,0,1]=4 917 B6R0.5 CCCC(C)(C)C CNP0308764.0 [0,2,0,0,0,0|1,0,1]=4 918 B6R0.5 CCCC(C)(C)O CNP0258393.0 [0,2,0,0,0,0|0,0,2]=4 919 B6R0.5 CCCC(O)(O)O CNP0084720.0 [0,2,0,0,0,0|0,0,2]=4 920 B6R0.5 CCC[N+](C)(C)C CNP0523784.0 [0,2,0,0,0,0|2,0,0]=4 921 B6R0.5 CCOP(=O)(O)O CNP0147648.0 [0,2,0,0,0,0|2,0,0]=4 922 B6R0.5 CCOS(=O)(=O)C CNP0401842.0 [0,2,0,0,0,0|2,0,0]=4 923 B6R0.5 CCOS(=O)(=O)O CNP0264305.0 [0,2,0,0,0,0|2,0,0]=4 924 B6R0.5 CSCS(=O)(=O)C CNP0157265.0 [0,2,0,0,0,0|2,0,0]=4 925 B6R0.5 C[As](=O)(C)CCO CNP0236295.0 [0,2,0,0,0,0|2,0,0]=4 926 B6R0.5 C[N+](C)(C)CC=O CNP0578871.0 [0,2,0,0,0,0|1,0,0]=3 927 B6R0.5 C[S+](=O)(C)CCO CNP0428132.0 [0,2,0,0,0,0|2,0,0]=4 928 B6R0.5 NCCP(=O)(O)O CNP0284279.0 [0,2,0,0,0,0|2,0,0]=4 929 B6R0.5 NCCS(=O)(=O)N CNP0110913.0 [0,2,0,0,0,0|2,0,0]=4 930 B6R0.5 NCCS(=O)(=O)O CNP0178735.0 [0,2,0,0,0,0|2,0,0]=4 931 B6R0.5 NCC[S@](=O)(=S)O CNP0018006.1 [0,2,0,0,0,0|2,0,0]=4 932 B6R0.5 O=CCP(=O)(O)O CNP0261749.0 [0,2,0,0,0,0|2,0,0]=4 933 B6R0.5 O=CCS(=O)(=O)O CNP0314402.0 [0,2,0,0,0,0|2,0,0]=4 934 B6R0.5 O=P(O)(O)CCBr CNP0439057.0 [0,2,0,0,0,0|2,0,0]=4 935 B6R0.5 O=P(O)(O)CCCl CNP0610068.0 [0,2,0,0,0,0|2,0,0]=4 936 B6R0.5 O=P(O)(O)CCO CNP0207938.0 [0,2,0,0,0,0|2,0,0]=4 937 B6R0.5 O=S(=O)(Cl)CCO CNP0242447.0 [0,2,0,0,0,0|2,0,0]=4 938 B6R0.5 O=S(=O)(O)CCO CNP0267265.0 [0,2,0,0,0,0|2,0,0]=4 939 B6R0.5 O=S(=O)(O)CCS CNP0132548.0 [0,2,0,0,0,0|2,0,0]=4 940 B6R0.6 C#CCCCCO CNP0289179.0 [0,2,0,0,0,0|0,0,2]=4 941 B6R0.6 C=CC=CCCC CNP0526826.0 [0,2,0,0,0,0|1,0,0]=3 942 B6R0.6 C=CCCC=CC CNP0426808.0 [0,2,0,0,0,0|1,0,0]=3 943 B6R0.6 C=CCCCC#N CNP0287374.0 [0,2,0,0,0,0|1,0,0]=3 944 B6R0.6 C=CCCCC=C CNP0115869.0 [0,2,0,0,0,0|1,0,0]=3 945 B6R0.6 C=CCCCCC CNP0226691.0 [0,2,0,0,0,0|1,0,0]=3 946 B6R0.6 C=CCCCCO CNP0162421.0 [0,2,0,0,0,0|1,0,0]=3 947 B6R0.6 C=CCCN=C=S CNP0107519.0 [0,2,0,0,0,0|1,0,1]=4 948 B6R0.6 C=CCCSC#N CNP0532187.0 [0,2,0,0,0,0|1,0,1]=4 949 B6R0.6 C=CCNCC=C CNP0443858.0 [0,2,0,0,0,0|1,0,1]=4 950 B6R0.6 C=CCOCCO CNP0248950.0 [0,2,0,0,0,0|1,0,0]=3 951 B6R0.6 C=CCSCC=C CNP0303954.0 [0,2,0,0,0,0|1,0,1]=4 952 B6R0.6 C=CCSCCC CNP0150756.0 [0,2,0,0,0,0|1,0,0]=3 953 B6R0.6 C=CCSSSC CNP0338885.0 [0,2,0,0,0,0|2,0,0]=4 954 B6R0.6 C=COCCCC CNP0077236.0 [0,2,0,0,0,0|1,0,0]=3 955 B6R0.6 CC#CC#CC=O CNP0301631.0 [0,2,0,0,0,0|0,0,2]=4 956 B6R0.6 CC#CCCCO CNP0320046.0 [0,2,0,0,0,0|0,0,2]=4 957 B6R0.6 CC=CC=CC=O CNP0182801.0 [0,2,0,0,0,0|0,0,2]=4 958 B6R0.6 CC=CC=CCC CNP0608489.0 [0,2,0,0,0,0|1,0,1]=4 959 B6R0.6 CC=CCCC=O CNP0056069.0 [0,2,0,0,0,0|0,0,0]=2 960 B6R0.6 CC=CCCCC CNP0158475.0 [0,2,0,0,0,0|1,0,0]=3 961 B6R0.6 CC=CCCCO CNP0309139.0 [0,2,0,0,0,0|1,0,0]=3 962 B6R0.6 CC=CCSCC CNP0575773.0 [0,2,0,0,0,0|1,0,0]=3 963 B6R0.6 CC=CSCCC CNP0320861.0 [0,2,0,0,0,0|1,0,0]=3 964 B6R0.6 CC=CSSCC CNP0418756.0 [0,2,0,0,0,0|1,0,1]=4 965 B6R0.6 CCC#CCCO CNP0170517.0 [0,2,0,0,0,0|0,0,2]=4 966 B6R0.6 CCC=C=CC=O CNP0611366.0 [0,2,0,0,0,0|0,0,1]=3 967 B6R0.6 CCC=C=CCC CNP0518397.0 [0,2,0,0,0,0|1,0,1]=4 968 B6R0.6 CCC=CCC#N CNP0106706.0 [0,2,0,0,0,0|1,0,1]=4 969 B6R0.6 CCC=CCC=O CNP0227189.0 [0,2,0,0,0,0|0,0,0]=2 970 B6R0.6 CCC=CCCC CNP0391454.0 [0,2,0,0,0,0|1,0,0]=3 971 B6R0.6 CCC=CCCO CNP0255718.0 [0,2,0,0,0,0|0,0,2]=4 972 B6R0.6 CCC=CN=C=S CNP0076586.0 [0,2,0,0,0,0|0,1,1]=4 973 B6R0.6 CCCC#CCO CNP0314465.0 [0,2,0,0,0,0|0,0,2]=4 974 B6R0.6 CCCC=CC=O CNP0263913.0 [0,2,0,0,0,0|0,0,0]=2 975 B6R0.6 CCCC=CCO CNP0254124.0 [0,2,0,0,0,0|0,0,1]=3 976 B6R0.6 CCCC=CNO CNP0162409.0 [0,2,0,0,0,0|0,0,1]=3 977 B6R0.6 CCCCC=CO CNP0511187.0 [0,2,0,0,0,0|0,0,1]=3 978 B6R0.6 CCCCC=NO CNP0149695.0 [0,2,0,0,0,0|0,0,1]=3 979 B6R0.6 CCCCCC#N CNP0412353.0 [0,2,0,0,0,0|1,0,1]=4 980 B6R0.6 CCCCCC=O CNP0304790.0 [0,2,0,0,0,0|0,0,0]=2 981 B6R0.6 CCCCCCC CNP0290800.0 [0,2,0,0,0,0|1,0,1]=4 982 B6R0.6 CCCCCCN CNP0213933.0 [0,2,0,0,0,0|1,0,1]=4 983 B6R0.6 CCCCCCO CNP0317600.0 [0,2,0,0,0,0|0,0,2]=4 984 B6R0.6 CCCCCCS CNP0167948.0 [0,2,0,0,0,0|0,1,1]=4 985 B6R0.6 CCCCCC[O-] CNP0579903.0 [0,2,0,0,0,0|0,0,2]=4 986 B6R0.6 CCCCCNC CNP0276164.0 [0,2,0,0,0,0|1,0,1]=4 987 B6R0.6 CCCCCOC CNP0358174.0 [0,2,0,0,0,0|0,0,2]=4 988 B6R0.6 CCCCCSC CNP0293012.0 [0,2,0,0,0,0|0,1,1]=4 989 B6R0.6 CCCCCSS CNP0228282.0 [0,2,0,0,0,0|0,1,1]=4 990 B6R0.6 CCCCN=C=S CNP0328773.0 [0,2,0,0,0,0|0,1,1]=4 991 B6R0.6 CCCCNC=O CNP0082472.0 [0,2,0,0,0,0|0,0,0]=2 992 B6R0.6 CCCCOC=O CNP0282325.0 [0,2,0,0,0,0|0,0,0]=2 993 B6R0.6 CCCCON=O CNP0003508.0 [0,2,0,0,0,0|0,0,1]=3 994 B6R0.6 CCCCSSC CNP0532819.0 [0,2,0,0,0,0|0,1,1]=4 995 B6R0.6 CCCNCCC CNP0129820.0 [0,2,0,0,0,0|1,0,1]=4 996 B6R0.6 CCCOCCO CNP0079853.0 [0,2,0,0,0,0|0,0,2]=4 997 B6R0.6 CCCSCCC CNP0173387.0 [0,2,0,0,0,0|1,0,1]=4 998 B6R0.6 CCCSSCC CNP0322971.0 [0,2,0,0,0,0|1,0,1]=4 999 B6R0.6 CCCSSSC CNP0104471.0 [0,2,0,0,0,0|1,1,0]=4 1000 B6R0.6 CCOCCCO CNP0304052.0 [0,2,0,0,0,0|0,0,2]=4 1001 B6R0.6 CCOCCCS CNP0267296.0 [0,2,0,0,0,0|0,1,1]=4 1002 B6R0.6 CCSCCCO CNP0355297.0 [0,2,0,0,0,0|0,0,2]=4 1003 B6R0.6 CCSSCSC CNP0003140.0 [0,2,0,0,0,0|2,0,0]=4 1004 B6R0.6 CNCCCCN CNP0157274.0 [0,2,0,0,0,0|1,0,1]=4 1005 B6R0.6 COCCCCO CNP0570905.0 [0,2,0,0,0,0|0,0,2]=4 1006 B6R0.6 CSCCCC#N CNP0286857.0 [0,2,0,0,0,0|1,0,1]=4 1007 B6R0.6 CSCCCC=O CNP0002814.0 [0,2,0,0,0,0|0,0,0]=2 1008 B6R0.6 CSCCCCO CNP0002400.0 [0,2,0,0,0,0|0,0,2]=4 1009 B6R0.6 CSCCCN=S CNP0092190.0 [0,2,0,0,0,0|0,1,1]=4 1010 B6R0.6 CSCCN=C=S CNP0002691.0 [0,2,0,0,0,0|0,1,1]=4 1011 B6R0.6 ClCCOCCCl CNP0082891.0 [0,2,0,0,0,0|1,0,1]=4 1012 B6R0.6 N#CCCCC#N CNP0290374.0 [0,2,0,0,0,0|1,0,1]=4 1013 B6R0.6 NCCCCC=O CNP0083786.0 [0,2,0,0,0,0|0,0,0]=2 1014 B6R0.6 NCCCCCN CNP0184259.0 [0,2,0,0,0,0|1,0,1]=4 1015 B6R0.6 NCCCCCO CNP0032450.0 [0,2,0,0,0,0|0,0,2]=4 1016 B6R0.6 NCCOCCN CNP0447264.0 [0,2,0,0,0,0|1,0,1]=4 1017 B6R0.6 O=CCCCC=O CNP0204417.0 [0,2,0,0,0,0|0,0,0]=2 1018 B6R0.6 OCCCCCO CNP0201249.0 [0,2,0,0,0,0|0,0,2]=4 1019 B6R0.6 OCCCN=C=S CNP0612043.0 [0,2,0,0,0,0|0,1,1]=4 1020 B6R0.6 OCCNCCO CNP0247543.0 [0,2,0,0,0,0|0,0,2]=4 1021 B6R0.6 OCCOCCO CNP0333860.0 [0,2,0,0,0,0|0,0,2]=4 1022 B6R0.6 OCCSCCO CNP0335773.0 [0,2,0,0,0,0|0,0,2]=4 1023 B6R0.6 [CH2-]CCCCC#[O+] CNP0596536.0 [0,2,0,0,0,0|0,0,2]=4 1024 B6R0.8 C=CC(C)(O)CC CNP0352178.0 [0,2,0,0,0,0|1,0,0]=3 1025 B6R0.8 CCC(C)(C)CC CNP0117655.0 [0,2,0,0,0,0|1,0,1]=4 1026 B6R0.8 CCC(C)(C)SC CNP0141733.0 [0,2,0,0,0,0|2,0,0]=4 1027 B6R0.8 CCC(C)(O)CC CNP0314635.0 [0,2,0,0,0,0|1,0,1]=4 1028 B6R0.8 CCC(C)(O)CO CNP0308368.0 [0,2,0,0,0,0|0,0,2]=4 1029 B6R0.8 CC[C@@](C)(O)C#N CNP0366563.1 [0,2,0,0,0,0|1,0,1]=4 1030 B6R0.8 CC[C@](C)(N)C#N CNP0302888.1 [0,2,0,0,0,0|1,0,1]=4 1031 B6R0.8 CSC(C)(C)C=O CNP0126812.0 [0,2,0,0,0,0|1,0,0]=3 1032 B6R0.9 C=CC(OC)OC CNP0324949.0 [0,2,0,0,0,0|2,0,0]=4 1033 B6R0.9 C=C[C@@H](CC)OC CNP0276971.1 [0,2,0,0,0,0|1,0,0]=3 1034 B6R0.9 CC=C(C=O)CC CNP0086295.0 [0,2,0,0,0,0|0,0,1]=3 1035 B6R0.9 CC=C(CC)CC CNP0246886.0 [0,2,0,0,0,0|1,0,1]=4 1036 B6R0.9 CC=C(CC)CO CNP0059417.0 [0,2,0,0,0,0|1,0,1]=4 1037 B6R0.9 CCC(C#N)CC CNP0152089.0 [0,2,0,0,0,0|1,0,1]=4 1038 B6R0.9 CCC(C=O)CC CNP0353251.0 [0,2,0,0,0,0|0,0,0]=2 1039 B6R0.9 CCC(CC)CC CNP0205695.0 [0,2,0,0,0,0|1,0,1]=4 1040 B6R0.9 CCC(CC)SC CNP0410895.0 [0,2,0,0,0,0|1,0,1]=4 1041 B6R0.9 CCC(OC)OC CNP0171881.0 [0,2,0,0,0,0|2,0,0]=4 1042 B6R0.9 CCN(CC)N=O CNP0419123.0 [0,2,0,0,0,0|2,0,0]=4 1043 B4R1.1 C1=COC1 CNP0610072.0 [1,0,0,1,0,0|0,0,2]=4 1044 B4R1.1 C1CCC1 CNP0580344.0 [1,0,0,1,0,0|0,0,1]=3 1045 B4R1.1 C1CSC1 CNP0598686.0 [1,0,0,1,0,0|0,1,0]=3 1046 B4R1.2 CC1=CC1 CNP0610335.0 [1,0,0,1,0,0|0,0,1]=3 1047 B4R1.2 CC1CC1 CNP0597751.0 [1,0,0,1,0,0|0,0,1]=3 1048 B4R1.2 CC1CN1 CNP0565195.0 [1,0,0,1,0,0|1,0,0]=3 1049 B4R1.2 CC1CO1 CNP0586888.0 [1,0,0,1,0,0|0,0,1]=3 1050 B4R1.2 CC1CS1 CNP0482664.0 [1,0,0,1,0,0|0,1,0]=3 1051 B4R1.2 C[C@H]1CS1 CNP0482664.1 [1,0,0,1,0,0|0,1,0]=3 1052 B4R1.2 NC1CC1 CNP0519928.0 [1,0,0,1,0,0|1,0,0]=3 1053 B6R1.2 C=C1C=CCC1 CNP0269204.0 [0,1,0,1,0,0|1,0,1]=4 1054 B6R1.2 C=C1CCCC1 CNP0338602.0 [0,1,0,1,0,0|1,0,0]=3 1055 B6R1.2 CC1=CCCC1 CNP0610106.0 [0,1,0,1,0,0|1,0,0]=3 1056 B6R1.2 CC1=CCCS1 CNP0003101.0 [0,1,0,1,0,0|0,1,1]=4 1057 B6R1.2 CC1=CCOC1 CNP0516552.0 [0,1,0,1,0,0|1,0,1]=4 1058 B6R1.2 CC1=COCC1 CNP0002470.0 [0,1,0,1,0,0|0,0,2]=4 1059 B6R1.2 CC1=NCCO1 CNP0601624.0 [0,1,0,1,0,0|1,0,1]=4 1060 B6R1.2 CC1=NCCS1 CNP0225264.0 [0,1,0,1,0,0|1,1,0]=4 1061 B6R1.2 CC1=NCSC1 CNP0134706.0 [0,1,0,1,0,0|2,0,0]=4 1062 B6R1.2 CC1C=COC1 CNP0165220.0 [0,1,0,1,0,0|1,0,0]=3 1063 B6R1.2 CC1CC=CS1 CNP0249135.0 [0,1,0,1,0,0|0,1,0]=3 1064 B6R1.2 CC1CCCC1 CNP0194612.0 [0,1,0,1,0,0|1,0,1]=4 1065 B6R1.2 CC1CCCO1 CNP0502439.0 [0,1,0,1,0,0|0,0,2]=4 1066 B6R1.2 CC1OCCO1 CNP0611683.0 [0,1,0,1,0,0|0,0,2]=4 1067 B6R1.2 CC1SCCS1 CNP0002932.0 [0,1,0,1,0,0|0,1,1]=4 1068 B6R1.2 CN1CC=CC1 CNP0257888.0 [0,1,0,1,0,0|1,0,1]=4 1069 B6R1.2 CN1CCCC1 CNP0395436.0 [0,1,0,1,0,0|1,0,1]=4 1070 B6R1.2 C[C@@H]1C=CNC1 CNP0309884.1 [0,1,0,1,0,0|1,0,0]=3 1071 B6R1.2 C[C@@H]1C=CSS1 CNP0139337.1 [0,1,0,1,0,0|0,1,1]=4 1072 B6R1.2 C[C@@H]1CCCN1 CNP0080827.1 [0,1,0,1,0,0|1,0,1]=4 1073 B6R1.2 C[C@@H]1CCSC1 CNP0174337.1 [0,1,0,1,0,0|0,1,1]=4 1074 B6R1.2 C[C@H]1C=CSS1 CNP0139337.2 [0,1,0,1,0,0|0,1,1]=4 1075 B6R1.2 C[C@H]1NCCS1 CNP0150573.1 [0,1,0,1,0,0|0,1,1]=4 1076 B6R1.2 C[N+]1=CCCC1 CNP0251573.0 [0,1,0,1,0,0|1,0,0]=3 1077 B6R1.2 NC1=NCCS1 CNP0490176.0 [0,1,0,1,0,0|1,1,0]=4 1078 B6R1.2 NN1CCCC1 CNP0577233.0 [0,1,0,1,0,0|1,0,1]=4 1079 B6R1.2 O=C1C=CCC1 CNP0122561.0 [0,1,0,1,0,0|0,0,1]=3 1080 B6R1.2 O=C1C=CCO1 CNP0253714.0 [0,1,0,1,0,0|0,0,2]=4 1081 B6R1.2 O=C1CC=CO1 CNP0494071.0 [0,1,0,1,0,0|0,0,2]=4 1082 B6R1.2 O=C1CCCC1 CNP0287963.0 [0,1,0,1,0,0|0,0,0]=2 1083 B6R1.2 O=C1CCCN1 CNP0127855.0 [0,1,0,1,0,0|0,0,0]=2 1084 B6R1.2 O=C1CCCO1 CNP0315299.0 [0,1,0,1,0,0|0,0,0]=2 1085 B6R1.2 O=C1CCCS1 CNP0084584.0 [0,1,0,1,0,0|0,0,0]=2 1086 B6R1.2 O=C1CCNN1 CNP0035182.0 [0,1,0,1,0,0|1,0,0]=3 1087 B6R1.2 O=C1CCOC1 CNP0051503.0 [0,1,0,1,0,0|0,0,0]=2 1088 B6R1.2 O=C1CCON1 CNP0325381.0 [0,1,0,1,0,0|1,0,0]=3 1089 B6R1.2 O=C1CCSC1 CNP0003522.0 [0,1,0,1,0,0|0,0,0]=2 1090 B6R1.2 O=C1CN=CN1 CNP0321519.0 [0,1,0,1,0,0|1,0,1]=4 1091 B6R1.2 O=C1NCCO1 CNP0064744.0 [0,1,0,1,0,0|1,0,0]=3 1092 B6R1.2 OC1=NCCC1 CNP0485346.0 [0,1,0,1,0,0|0,0,1]=3 1093 B6R1.2 OC1=NOCC1 CNP0504784.0 [0,1,0,1,0,0|1,0,1]=4 1094 B6R1.2 OC1CCCC1 CNP0085994.0 [0,1,0,1,0,0|0,0,2]=4 1095 B6R1.2 OC1CSSC1 CNP0317557.0 [0,1,0,1,0,0|1,1,0]=4 1096 B6R1.2 O[C@H]1CNOC1 CNP0590444.1 [0,1,0,1,0,0|1,0,1]=4 1097 B6R1.2 S=C1NCCN1 CNP0310090.0 [0,1,0,1,0,0|1,1,0]=4 1098 B6R1.2 S=C1NCCO1 CNP0275785.0 [0,1,0,1,0,0|1,0,1]=4 1099 B6R1.2 SC1=NCCO1 CNP0580429.0 [0,1,0,1,0,0|1,0,1]=4 1100 B6R1.2 SC1CCCC1 CNP0280825.0 [0,1,0,1,0,0|0,1,1]=4 1101 B6R1.2 SC1CCCS1 CNP0002503.0 [0,1,0,1,0,0|0,1,1]=4 1102 B6R1.2 [O-][N+]1=CCCC1 CNP0558986.0 [0,1,0,1,0,0|0,0,1]=3 1103 B6R1.3 CCCC1CC1 CNP0506060.0 [0,1,0,1,0,0|1,0,1]=4 1104 B6R1.3 N#CC[C@@H]1CS1 CNP0134968.2 [0,1,0,1,0,0|1,0,1]=4 1105 B6R1.3 N#CC[C@H]1CS1 CNP0134968.1 [0,1,0,1,0,0|1,0,1]=4 1106 B6R1.3 NCCN1CC1 CNP0522628.0 [0,1,0,1,0,0|1,0,1]=4 1107 B6R1.3 S=C=NC1CC1 CNP0158262.0 [0,1,0,1,0,0|0,1,1]=4 1108 B6R1.5 C[C@H]1CC(=O)O1 CNP0232064.1 [0,1,0,1,0,0|0,0,0]=2 1109 B6R1.5 O=C1C[C@@H](O1)O CNP0300715.1 [0,1,0,1,0,0|1,0,0]=3 1110 B6R1.8 CC[C@@H]1C[C@@H]1C CNP0076250.1 [0,1,0,1,0,0|1,0,1]=4 1111 B6R1.8 O=C1C=C1CO CNP0214079.0 [0,1,0,1,0,0|0,0,2]=4 1112 B6R1.8 O=C1CC1CO CNP0073765.0 [0,1,0,1,0,0|0,0,0]=2 1113 B6R1.9 CC1CC1(C)C CNP0507743.0 [0,1,0,1,0,0|1,0,1]=4 1114 B6R1.10 CC1(CCO1)C CNP0252865.0 [0,1,0,1,0,0|0,0,2]=4 1115 B6R1.10 CC1(CCS1)C CNP0181332.0 [0,1,0,1,0,0|0,1,1]=4 1116 B6R1.1 C1=CCC=CC1 CNP0508932.0 [0,1,0,1,0,0|1,0,1]=4 1117 B6R1.1 C1=CCCC=C1 CNP0267898.0 [0,1,0,1,0,0|1,0,1]=4 1118 B6R1.1 C1=CCCCC1 CNP0275665.0 [0,1,0,1,0,0|1,0,0]=3 1119 B6R1.1 C1=CCN=CC1 CNP0062927.0 [0,1,0,1,0,0|1,0,1]=4 1120 B6R1.1 C1=CCNCC1 CNP0086452.0 [0,1,0,1,0,0|1,0,0]=3 1121 B6R1.1 C1=CNCCC1 CNP0200592.0 [0,1,0,1,0,0|1,0,0]=3 1122 B6R1.1 C1=COCCC1 CNP0583467.0 [0,1,0,1,0,0|0,0,1]=3 1123 B6R1.1 C1=CSSCC1 CNP0530429.0 [0,1,0,1,0,0|0,1,1]=4 1124 B6R1.1 C1=NCCCC1 CNP0139263.0 [0,1,0,1,0,0|1,0,0]=3 1125 B6R1.1 C1CCCCC1 CNP0220772.0 [0,1,0,1,0,0|1,0,1]=4 1126 B6R1.1 C1CCNCC1 CNP0153358.0 [0,1,0,1,0,0|1,0,1]=4 1127 B6R1.1 C1CCOCC1 CNP0484551.0 [0,1,0,1,0,0|0,0,2]=4 1128 B6R1.1 C1CNCCN1 CNP0389558.0 [0,1,0,1,0,0|1,0,1]=4 1129 B6R1.1 C1CNCCN1 CNP0554301.0 [0,1,0,1,0,0|1,0,1]=4 1130 B6R1.1 C1COCCN1 CNP0167865.0 [0,1,0,1,0,0|0,0,2]=4 1131 B6R1.1 C1COCCO1 CNP0353166.0 [0,1,0,1,0,0|0,0,2]=4 1132 B6R1.1 C1COCSC1 CNP0517977.0 [0,1,0,1,0,0|0,0,2]=4 1133 B6R1.1 C1CSCCS1 CNP0316640.0 [0,1,0,1,0,0|0,1,1]=4 1134 B6R1.1 C1CSCSC1 CNP0221424.0 [0,1,0,1,0,0|0,1,1]=4 1135 B6R1.1 C1CSSCS1 CNP0173795.0 [0,1,0,1,0,0|1,1,0]=4 1136 B6R1.1 C1CSSSC1 CNP0124260.0 [0,1,0,1,0,0|1,1,0]=4 1137 B6R1.1 [CH]1C=CCCC1 CNP0541179.0 [0,1,0,1,0,0|1,0,0]=3 1138 B6R1.4 C[C@@H]1CCC1=O CNP0253900.1 [0,1,0,1,0,0|0,0,0]=2 1139 B6R1.4 C[C@H]1CS[C@@H]1C CNP0207395.1 [0,1,0,1,0,0|0,1,1]=4 1140 B6R1.6 OCC1C=CC1 CNP0202846.0 [0,1,0,1,0,0|1,0,0]=3 1141 B6R1.12 C=C1C(=O)[C@@H]1O CNP0264596.1 [0,1,0,1,0,0|0,0,2]=4