0 B4R0.2 C#CC=CC CNP0541501.0 [0,0,0,0,0,0|2,0,2]=4 1 B4R0.2 C#CCC=O CNP0596193.0 [0,0,0,0,0,0|3,0,1]=4 2 B4R0.2 C#CCCC CNP0510243.0 [0,0,0,0,0,0|2,0,1]=3 3 B4R0.2 C#CCCO CNP0577358.0 [0,0,0,0,0,0|3,0,1]=4 4 B4R0.2 C=C=CCC CNP0484675.0 [0,0,0,0,0,0|2,0,2]=4 5 B4R0.2 C=CC=CC CNP0501543.0 [0,0,0,0,0,0|2,0,2]=4 6 B4R0.2 C=CCC#N CNP0498043.0 [0,0,0,0,0,0|3,0,1]=4 7 B4R0.2 C=CCC=C CNP0494589.0 [0,0,0,0,0,0|2,0,2]=4 8 B4R0.2 C=CCCC CNP0529271.0 [0,0,0,0,0,0|2,0,1]=3 9 B4R0.2 C=CCCN CNP0493733.0 [0,0,0,0,0,0|3,0,1]=4 10 B4R0.2 C=CCCO CNP0599473.0 [0,0,0,0,0,0|3,0,1]=4 11 B4R0.2 C=CCSC CNP0572475.0 [0,0,0,0,0,0|1,0,1]=2 12 B4R0.2 C=CCSO CNP0600527.0 [0,0,0,0,0,0|2,0,1]=3 13 B4R0.2 C=CC[Se]C CNP0612039.0 [0,0,0,0,0,0|1,1,1]=3 14 B4R0.2 C=COCC CNP0567970.0 [0,0,0,0,0,0|3,0,1]=4 15 B4R0.2 C=CSCC CNP0581257.0 [0,0,0,0,0,0|3,0,1]=4 16 B4R0.2 C=NCC#N CNP0567708.0 [0,0,0,0,0,0|3,0,1]=4 17 B4R0.2 CC#CCC CNP0516358.0 [0,0,0,0,0,0|2,0,1]=3 18 B4R0.2 CC=CC#N CNP0588304.0 [0,0,0,0,0,0|3,0,1]=4 19 B4R0.2 CC=CC=O CNP0576575.0 [0,0,0,0,0,0|3,0,1]=4 20 B4R0.2 CC=CCC CNP0524560.0 [0,0,0,0,0,0|2,0,1]=3 21 B4R0.2 CC=CCO CNP0498228.0 [0,0,0,0,0,0|3,0,1]=4 22 B4R0.2 CC=CCS CNP0606069.0 [0,0,0,0,0,0|3,0,1]=4 23 B4R0.2 CC=CSC CNP0587371.0 [0,0,0,0,0,0|1,0,1]=2 24 B4R0.2 CC=CSO CNP0521494.0 [0,0,0,0,0,0|2,0,1]=3 25 B4R0.2 CCC#CO CNP0612045.0 [0,0,0,0,0,0|3,0,1]=4 26 B4R0.2 CCC=NO CNP0599998.0 [0,0,0,0,0,0|3,0,1]=4 27 B4R0.2 CCC=S=O CNP0514855.0 [0,0,0,0,0,0|2,0,2]=4 28 B4R0.2 CCCC=O CNP0518034.0 [0,0,0,0,0,0|3,0,0]=3 29 B4R0.2 CCCCC CNP0486380.0 [0,0,0,0,0,0|2,0,0]=2 30 B4R0.2 CCCCI CNP0558480.0 [0,0,0,0,0,0|3,0,0]=3 31 B4R0.2 CCCCN CNP0597509.0 [0,0,0,0,0,0|3,0,0]=3 32 B4R0.2 CCCCO CNP0505612.0 [0,0,0,0,0,0|3,0,0]=3 33 B4R0.2 CCCCS CNP0598878.0 [0,0,0,0,0,0|3,0,0]=3 34 B4R0.2 CCCNC CNP0599313.0 [0,0,0,0,0,0|2,0,0]=2 35 B4R0.2 CCCOC CNP0609062.0 [0,0,0,0,0,0|1,1,0]=2 36 B4R0.2 CCCSC CNP0481317.0 [0,0,0,0,0,0|1,0,0]=1 37 B4R0.2 CCCSO CNP0594110.0 [0,0,0,0,0,0|2,0,0]=2 38 B4R0.2 CCN=C=S CNP0601773.0 [0,0,0,0,0,0|4,0,0]=4 39 B4R0.2 CCNCC CNP0491960.0 [0,0,0,0,0,0|3,0,0]=3 40 B4R0.2 CCOC=O CNP0525155.0 [0,0,0,0,0,0|4,0,0]=4 41 B4R0.2 CCOCC CNP0572765.0 [0,0,0,0,0,0|3,0,0]=3 42 B4R0.2 CCON=O CNP0596964.0 [0,0,0,0,0,0|4,0,0]=4 43 B4R0.2 CCSC#N CNP0540962.0 [0,0,0,0,0,0|4,0,0]=4 44 B4R0.2 CCSCC CNP0518873.0 [0,0,0,0,0,0|3,0,0]=3 45 B4R0.2 CCSSC CNP0571147.0 [0,0,0,0,0,0|2,0,0]=2 46 B4R0.2 CN=CC=S CNP0547393.0 [0,0,0,0,0,0|3,0,1]=4 47 B4R0.2 CNCCN CNP0496542.0 [0,0,0,0,0,0|3,0,0]=3 48 B4R0.2 CNCCO CNP0513801.0 [0,0,0,0,0,0|3,0,0]=3 49 B4R0.2 COCCI CNP0495552.0 [0,0,0,0,0,0|2,1,0]=3 50 B4R0.2 COCCO CNP0561250.0 [0,0,0,0,0,0|2,1,0]=3 51 B4R0.2 COCC[Si] CNP0501162.0 [0,0,0,0,0,0|1,2,0]=3 52 B4R0.2 CSCC=O CNP0555203.0 [0,0,0,0,0,0|2,0,0]=2 53 B4R0.2 CSCCO CNP0574269.0 [0,0,0,0,0,0|2,0,0]=2 54 B4R0.2 CSCSC CNP0591427.0 [0,0,0,0,0,0|0,0,0]=0 55 B4R0.2 CSSSC CNP0486985.0 [0,0,0,0,0,0|1,0,0]=1 56 B4R0.2 CS[Se]SC CNP0608554.0 [0,0,0,0,0,0|1,0,0]=1 57 B4R0.2 N#CCCN CNP0502764.0 [0,0,0,0,0,0|4,0,0]=4 58 B4R0.2 NCCC=O CNP0502520.0 [0,0,0,0,0,0|4,0,0]=4 59 B4R0.2 NCCCN CNP0566837.0 [0,0,0,0,0,0|4,0,0]=4 60 B4R0.2 NCCCO CNP0538228.0 [0,0,0,0,0,0|4,0,0]=4 61 B4R0.2 NCCCS CNP0560812.0 [0,0,0,0,0,0|4,0,0]=4 62 B4R0.2 NOCON CNP0531529.0 [0,0,0,0,0,0|2,2,0]=4 63 B4R0.2 O=CCC=O CNP0495847.0 [0,0,0,0,0,0|4,0,0]=4 64 B4R0.2 O=CCCO CNP0525339.0 [0,0,0,0,0,0|4,0,0]=4 65 B4R0.2 OCCCBr CNP0506989.0 [0,0,0,0,0,0|4,0,0]=4 66 B4R0.2 OCCCO CNP0503416.0 [0,0,0,0,0,0|4,0,0]=4 67 B4R0.2 OCCCS CNP0586497.0 [0,0,0,0,0,0|4,0,0]=4 68 B4R0.2 SCCCS CNP0528691.0 [0,0,0,0,0,0|4,0,0]=4 69 B4R0.2 SSSSS CNP0541960.0 [0,0,0,0,0,0|3,0,0]=3 70 B4R0.2 [C-]#[N+]CCC CNP0525086.0 [0,0,0,0,0,0|2,0,1]=3 71 B3R0.1 BrCCBr CNP0591557.0 [1,0,0,0,0,0|3,0,0]=4 72 B3R0.1 BrCCI CNP0495630.0 [1,0,0,0,0,0|3,0,0]=4 73 B3R0.1 C#CCC CNP0509561.0 [1,0,0,0,0,0|1,0,1]=3 74 B3R0.1 C#CCO CNP0488604.0 [1,0,0,0,0,0|1,1,1]=4 75 B3R0.1 C#[N+]CC CNP0559170.0 [1,0,0,0,0,0|1,0,1]=3 76 B3R0.1 C=C=CC CNP0584937.0 [1,0,0,0,0,0|1,0,2]=4 77 B3R0.1 C=CCC CNP0490956.0 [1,0,0,0,0,0|1,0,1]=3 78 B3R0.1 C=CCN CNP0585503.0 [1,0,0,0,0,0|2,0,1]=4 79 B3R0.1 C=CCO CNP0561492.0 [1,0,0,0,0,0|1,1,1]=4 80 B3R0.1 C=CCS CNP0575677.0 [1,0,0,0,0,0|1,0,1]=3 81 B3R0.1 C=COC CNP0611794.0 [1,0,0,0,0,0|0,1,2]=4 82 B3R0.1 CC#CC CNP0556029.0 [1,0,0,0,0,0|1,0,1]=3 83 B3R0.1 CC=CBr CNP0509639.0 [1,0,0,0,0,0|2,0,1]=4 84 B3R0.1 CC=CC CNP0597271.0 [1,0,0,0,0,0|1,0,1]=3 85 B3R0.1 CC=CS CNP0589530.0 [1,0,0,0,0,0|1,0,1]=3 86 B3R0.1 CC=NO CNP0512137.0 [1,0,0,0,0,0|2,0,1]=4 87 B3R0.1 CC=[N+]=[N-] CNP0532727.0 [1,0,0,0,0,0|2,0,1]=4 88 B3R0.1 CCC#N CNP0564998.0 [1,0,0,0,0,0|2,0,0]=3 89 B3R0.1 CCC=O CNP0570013.0 [1,0,0,0,0,0|2,0,0]=3 90 B3R0.1 CCC=S CNP0546828.0 [1,0,0,0,0,0|2,0,0]=3 91 B3R0.1 CCCBr CNP0561445.0 [1,0,0,0,0,0|2,0,0]=3 92 B3R0.1 CCCC CNP0597736.0 [1,0,0,0,0,0|1,0,0]=2 93 B3R0.1 CCCI CNP0596010.0 [1,0,0,0,0,0|2,0,0]=3 94 B3R0.1 CCCN CNP0600530.0 [1,0,0,0,0,0|2,0,0]=3 95 B3R0.1 CCCO CNP0605151.0 [1,0,0,0,0,0|1,1,0]=3 96 B3R0.1 CCCS CNP0572992.0 [1,0,0,0,0,0|1,0,0]=2 97 B3R0.1 CCN=O CNP0552947.0 [1,0,0,0,0,0|2,0,0]=3 98 B3R0.1 CCNC CNP0563252.0 [1,0,0,0,0,0|1,0,0]=2 99 B3R0.1 CCOC CNP0484105.0 [1,0,0,0,0,0|0,1,0]=2 100 B3R0.1 CCOO CNP0591807.0 [1,0,0,0,0,0|1,1,0]=3 101 B3R0.1 CCSC CNP0596541.0 [1,0,0,0,0,0|0,0,0]=1 102 B3R0.1 CCSO CNP0559716.0 [1,0,0,0,0,0|1,0,0]=2 103 B3R0.1 CN=C=O CNP0542197.0 [1,0,0,0,0,0|1,1,1]=4 104 B3R0.1 CN=C=S CNP0601890.0 [1,0,0,0,0,0|1,0,2]=4 105 B3R0.1 CNC=O CNP0565671.0 [1,0,0,0,0,0|1,1,1]=4 106 B3R0.1 CNNC CNP0493834.0 [1,0,0,0,0,0|2,0,0]=3 107 B3R0.1 COC=O CNP0494242.0 [1,0,0,0,0,0|0,2,1]=4 108 B3R0.1 COOC CNP0610139.0 [1,0,0,0,0,0|0,2,0]=3 109 B3R0.1 CSC#N CNP0493602.0 [1,0,0,0,0,0|1,0,1]=3 110 B3R0.1 CSSC CNP0600942.0 [1,0,0,0,0,0|0,0,0]=1 111 B3R0.1 C[Se][Se]C CNP0508246.0 [1,0,0,0,0,0|0,2,0]=3 112 B3R0.1 ClCCBr CNP0493040.0 [1,0,0,0,0,0|3,0,0]=4 113 B3R0.1 ClCCCl CNP0592018.0 [1,0,0,0,0,0|3,0,0]=4 114 B3R0.1 N#CCI CNP0547629.0 [1,0,0,0,0,0|3,0,0]=4 115 B3R0.1 N#CCS CNP0566385.0 [1,0,0,0,0,0|2,0,0]=3 116 B3R0.1 N#CSO CNP0569271.0 [1,0,0,0,0,0|2,0,1]=4 117 B3R0.1 N=CCN CNP0547283.0 [1,0,0,0,0,0|3,0,0]=4 118 B3R0.1 NC=CS CNP0577276.0 [1,0,0,0,0,0|2,0,1]=4 119 B3R0.1 NCC=O CNP0566697.0 [1,0,0,0,0,0|3,0,0]=4 120 B3R0.1 NCCN CNP0531974.0 [1,0,0,0,0,0|3,0,0]=4 121 B3R0.1 NCCO CNP0581653.0 [1,0,0,0,0,0|2,1,0]=4 122 B3R0.1 NCCS CNP0490978.0 [1,0,0,0,0,0|2,0,0]=3 123 B3R0.1 NCC[O] CNP0586934.0 [1,0,0,0,0,0|2,1,0]=4 124 B3R0.1 O=CCBr CNP0516788.0 [1,0,0,0,0,0|3,0,0]=4 125 B3R0.1 O=CCO CNP0600524.0 [1,0,0,0,0,0|2,1,0]=4 126 B3R0.1 O=CCS CNP0591045.0 [1,0,0,0,0,0|2,0,0]=3 127 B3R0.1 OCCCl CNP0532317.0 [1,0,0,0,0,0|2,1,0]=4 128 B3R0.1 OCCI CNP0489668.0 [1,0,0,0,0,0|2,1,0]=4 129 B3R0.1 OCCO CNP0484938.0 [1,0,0,0,0,0|2,1,0]=4 130 B3R0.1 OCCS CNP0576505.0 [1,0,0,0,0,0|2,0,0]=3 131 B3R0.1 SCCS CNP0506336.0 [1,0,0,0,0,0|2,0,0]=3 132 B5R0.1 C=C(C)C=CC CNP0348667.0 [0,1,0,0,0,0|2,0,1]=4 133 B5R0.1 C=C(C)CCC CNP0179329.0 [0,1,0,0,0,0|2,0,0]=3 134 B5R0.1 C=C(C)CCO CNP0285127.0 [0,1,0,0,0,0|3,0,0]=4 135 B5R0.1 C=C(O)CCC CNP0003382.0 [0,1,0,0,0,0|2,0,1]=4 136 B5R0.1 C=CCC(=O)C CNP0385825.0 [0,1,0,0,0,0|2,0,1]=4 137 B5R0.1 C=CCC(C)C CNP0293683.0 [0,1,0,0,0,0|2,0,1]=4 138 B5R0.1 C=CCC(C)O CNP0594112.0 [0,1,0,0,0,0|2,0,1]=4 139 B5R0.1 C=CC[S@+](C)[O-] CNP0483153.2 [0,1,0,0,0,0|1,0,2]=4 140 B5R0.1 C=CC[S@@+](C)[O-] CNP0483153.1 [0,1,0,0,0,0|1,0,2]=4 141 B5R0.1 CC(=O)CCO CNP0251527.0 [0,1,0,0,0,0|3,0,0]=4 142 B5R0.1 CC(=O)CCS CNP0404753.0 [0,1,0,0,0,0|3,0,0]=4 143 B5R0.1 CC(C)CC#N CNP0003467.0 [0,1,0,0,0,0|3,0,0]=4 144 B5R0.1 CC(C)CC=O CNP0200023.0 [0,1,0,0,0,0|3,0,0]=4 145 B5R0.1 CC(C)CCN CNP0107663.0 [0,1,0,0,0,0|3,0,0]=4 146 B5R0.1 CC(C)CCO CNP0115711.0 [0,1,0,0,0,0|3,0,0]=4 147 B5R0.1 CC(C)CCS CNP0222694.0 [0,1,0,0,0,0|3,0,0]=4 148 B5R0.1 CC(C)CNO CNP0343206.0 [0,1,0,0,0,0|3,0,0]=4 149 B5R0.1 CC(O)CCS CNP0002409.0 [0,1,0,0,0,0|3,0,0]=4 150 B5R0.1 CC(S)CCS CNP0003105.0 [0,1,0,0,0,0|3,0,0]=4 151 B5R0.1 CC=CC(=O)C CNP0158055.0 [0,1,0,0,0,0|2,0,1]=4 152 B5R0.1 CC=CC(C)C CNP0513218.0 [0,1,0,0,0,0|2,0,1]=4 153 B5R0.1 CC=CC(C)O CNP0150168.0 [0,1,0,0,0,0|2,0,1]=4 154 B5R0.1 CCC=C(C)C CNP0331653.0 [0,1,0,0,0,0|2,0,1]=4 155 B5R0.1 CCC=C(C)O CNP0225775.0 [0,1,0,0,0,0|2,0,1]=4 156 B5R0.1 CCCC(=O)C CNP0169448.0 [0,1,0,0,0,0|2,0,0]=3 157 B5R0.1 CCCC(=O)N CNP0115101.0 [0,1,0,0,0,0|3,0,0]=4 158 B5R0.1 CCCC(=O)O CNP0259447.0 [0,1,0,0,0,0|3,0,0]=4 159 B5R0.1 CCCC(=O)[O-] CNP0521413.0 [0,1,0,0,0,0|3,0,0]=4 160 B5R0.1 CCCC(C)C CNP0319065.0 [0,1,0,0,0,0|2,0,0]=3 161 B5R0.1 CCCC(C)S CNP0029638.0 [0,1,0,0,0,0|2,0,0]=3 162 B5R0.1 CCCC(O)O CNP0076336.0 [0,1,0,0,0,0|3,0,0]=4 163 B5R0.1 CCCS(=S)O CNP0558357.0 [0,1,0,0,0,0|2,0,1]=4 164 B5R0.1 CCC[C@@H](C)O CNP0287976.1 [0,1,0,0,0,0|2,0,0]=3 165 B5R0.1 CCC[C@H](C)O CNP0287976.2 [0,1,0,0,0,0|2,0,0]=3 166 B5R0.1 CCNC(=O)C CNP0260078.0 [0,1,0,0,0,0|3,0,0]=4 167 B5R0.1 CCOC(=O)C CNP0322418.0 [0,1,0,0,0,0|3,0,0]=4 168 B5R0.1 CCOC(C)C CNP0604172.0 [0,1,0,0,0,0|3,0,0]=4 169 B5R0.1 CCO[13C](=O)C CNP0577601.0 [0,1,0,0,0,0|3,0,0]=4 170 B5R0.1 CCSC(=O)C CNP0274861.0 [0,1,0,0,0,0|3,0,0]=4 171 B5R0.1 CCSC(C)C CNP0254931.0 [0,1,0,0,0,0|3,0,0]=4 172 B5R0.1 CCSC(C)S CNP0579398.0 [0,1,0,0,0,0|3,0,0]=4 173 B5R0.1 CN(C)CC#N CNP0084986.0 [0,1,0,0,0,0|3,0,0]=4 174 B5R0.1 CN(C)CCCl CNP0328789.0 [0,1,0,0,0,0|3,0,0]=4 175 B5R0.1 CN(C)CCO CNP0230038.0 [0,1,0,0,0,0|3,0,0]=4 176 B5R0.1 CN=CC(C)C CNP0149349.0 [0,1,0,0,0,0|2,0,1]=4 177 B5R0.1 CNCC(=O)O CNP0307073.0 [0,1,0,0,0,0|3,0,0]=4 178 B5R0.1 CNCC(=O)O CNP0563704.0 [0,1,0,0,0,0|3,0,0]=4 179 B5R0.1 CNCC(=O)[O-] CNP0565920.0 [0,1,0,0,0,0|3,0,0]=4 180 B5R0.1 CNCC(C)C CNP0273998.0 [0,1,0,0,0,0|2,0,0]=3 181 B5R0.1 COCC(=O)C CNP0581024.0 [0,1,0,0,0,0|1,1,0]=3 182 B5R0.1 COCC(=O)O CNP0343219.0 [0,1,0,0,0,0|2,1,0]=4 183 B5R0.1 COCC(C)C CNP0528468.0 [0,1,0,0,0,0|1,1,0]=3 184 B5R0.1 CSCC(=O)C CNP0002513.0 [0,1,0,0,0,0|1,0,0]=2 185 B5R0.1 CSCC(=O)O CNP0447839.0 [0,1,0,0,0,0|2,0,0]=3 186 B5R0.1 CSCC(C)C CNP0405087.0 [0,1,0,0,0,0|1,0,0]=2 187 B5R0.1 CSC[S@+](C)[O-] CNP0604118.1 [0,1,0,0,0,0|0,0,1]=2 188 B5R0.1 CSSC(C)C CNP0267830.0 [0,1,0,0,0,0|2,0,0]=3 189 B5R0.1 C[C@@H](O)CC#N CNP0115714.1 [0,1,0,0,0,0|3,0,0]=4 190 B5R0.1 C[C@@H](O)CC=O CNP0197470.1 [0,1,0,0,0,0|3,0,0]=4 191 B5R0.1 C[C@@H](O)CCO CNP0110972.2 [0,1,0,0,0,0|3,0,0]=4 192 B5R0.1 C[C@H](O)CCO CNP0110972.1 [0,1,0,0,0,0|3,0,0]=4 193 B5R0.1 C[Se]CC(=O)O CNP0526449.0 [0,1,0,0,0,0|2,1,0]=4 194 B5R0.1 C[Te]CC(=O)O CNP0537189.0 [0,1,0,0,0,0|2,1,0]=4 195 B5R0.2 C=CCC=CC CNP0292090.0 [0,1,0,0,0,0|2,0,1]=4 196 B5R0.2 C=CCCCC CNP0264947.0 [0,1,0,0,0,0|2,0,1]=4 197 B5R0.2 C=CCCCO CNP0003396.0 [0,1,0,0,0,0|2,0,1]=4 198 B5R0.2 C=CCSC#N CNP0391044.0 [0,1,0,0,0,0|1,0,2]=4 199 B5R0.2 C=CCSCC CNP0261096.0 [0,1,0,0,0,0|1,0,1]=3 200 B5R0.2 C=CCSSC CNP0333880.0 [0,1,0,0,0,0|1,0,1]=3 201 B5R0.2 C=CSSCC CNP0003136.0 [0,1,0,0,0,0|2,0,1]=4 202 B5R0.2 CC#CCCO CNP0515871.0 [0,1,0,0,0,0|2,0,1]=4 203 B5R0.2 CC=C=CCO CNP0426440.0 [0,1,0,0,0,0|2,0,1]=4 204 B5R0.2 CC=C=COC CNP0519318.0 [0,1,0,0,0,0|1,1,1]=4 205 B5R0.2 CC=CC=CC CNP0611428.0 [0,1,0,0,0,0|2,0,1]=4 206 B5R0.2 CC=CCC#N CNP0080085.0 [0,1,0,0,0,0|3,0,0]=4 207 B5R0.2 CC=CCC=O CNP0167409.0 [0,1,0,0,0,0|3,0,0]=4 208 B5R0.2 CC=CCCC CNP0419577.0 [0,1,0,0,0,0|2,0,0]=3 209 B5R0.2 CC=CCCO CNP0253382.0 [0,1,0,0,0,0|2,0,1]=4 210 B5R0.2 CC=CSSC CNP0214071.0 [0,1,0,0,0,0|1,0,1]=3 211 B5R0.2 CCC#CCO CNP0076027.0 [0,1,0,0,0,0|2,0,1]=4 212 B5R0.2 CCC=CCO CNP0239009.0 [0,1,0,0,0,0|2,0,1]=4 213 B5R0.2 CCC=CSC CNP0068372.0 [0,1,0,0,0,0|1,0,1]=3 214 B5R0.2 CCC=CSO CNP0458289.0 [0,1,0,0,0,0|2,0,1]=4 215 B5R0.2 CCC=NNC CNP0543863.0 [0,1,0,0,0,0|2,0,1]=4 216 B5R0.2 CCCC=CO CNP0247153.0 [0,1,0,0,0,0|2,0,1]=4 217 B5R0.2 CCCC=NO CNP0071145.0 [0,1,0,0,0,0|3,0,0]=4 218 B5R0.2 CCCCC#N CNP0357663.0 [0,1,0,0,0,0|2,0,1]=4 219 B5R0.2 CCCCC=O CNP0361186.0 [0,1,0,0,0,0|2,0,1]=4 220 B5R0.2 CCCCCBr CNP0018690.0 [0,1,0,0,0,0|2,0,0]=3 221 B5R0.2 CCCCCC CNP0269021.0 [0,1,0,0,0,0|2,0,0]=3 222 B5R0.2 CCCCCI CNP0017763.0 [0,1,0,0,0,0|2,0,0]=3 223 B5R0.2 CCCCCN CNP0203183.0 [0,1,0,0,0,0|2,0,0]=3 224 B5R0.2 CCCCCO CNP0244882.0 [0,1,0,0,0,0|2,0,0]=3 225 B5R0.2 CCCCCS CNP0260876.0 [0,1,0,0,0,0|2,0,0]=3 226 B5R0.2 CCCCNC CNP0277639.0 [0,1,0,0,0,0|2,0,0]=3 227 B5R0.2 CCCCOC CNP0609033.0 [0,1,0,0,0,0|1,1,0]=3 228 B5R0.2 CCCCSC CNP0562965.0 [0,1,0,0,0,0|1,0,0]=2 229 B5R0.2 CCCC[S+]=O CNP0521772.0 [0,1,0,0,0,0|2,0,1]=4 230 B5R0.2 CCCN=C=S CNP0077279.0 [0,1,0,0,0,0|2,0,1]=4 231 B5R0.2 CCCOC=O CNP0326097.0 [0,1,0,0,0,0|1,1,1]=4 232 B5R0.2 CCCSC#N CNP0395197.0 [0,1,0,0,0,0|1,0,1]=3 233 B5R0.2 CCCSCC CNP0316215.0 [0,1,0,0,0,0|1,0,0]=2 234 B5R0.2 CCCSSC CNP0296815.0 [0,1,0,0,0,0|1,0,0]=2 235 B5R0.2 CCNCCN CNP0281269.0 [0,1,0,0,0,0|3,0,0]=4 236 B5R0.2 CCNCCO CNP0396370.0 [0,1,0,0,0,0|3,0,0]=4 237 B5R0.2 CCOCC#N CNP0184632.0 [0,1,0,0,0,0|2,1,0]=4 238 B5R0.2 CCOCCO CNP0319988.0 [0,1,0,0,0,0|2,1,0]=4 239 B5R0.2 CCSCCN CNP0506731.0 [0,1,0,0,0,0|2,0,0]=3 240 B5R0.2 CCSSCC CNP0416624.0 [0,1,0,0,0,0|2,0,0]=3 241 B5R0.2 CCSSSC CNP0407481.0 [0,1,0,0,0,0|1,0,0]=2 242 B5R0.2 CNCCNC CNP0480039.0 [0,1,0,0,0,0|2,0,0]=3 243 B5R0.2 COC=COC CNP0416791.0 [0,1,0,0,0,0|0,2,1]=4 244 B5R0.2 COCCOC CNP0144142.0 [0,1,0,0,0,0|0,2,0]=3 245 B5R0.2 CSC=CSC CNP0075985.0 [0,1,0,0,0,0|0,0,1]=2 246 B5R0.2 CSCCC=O CNP0136743.0 [0,1,0,0,0,0|1,0,1]=3 247 B5R0.2 CSCCCN CNP0348726.0 [0,1,0,0,0,0|1,0,0]=2 248 B5R0.2 CSCCCO CNP0359993.0 [0,1,0,0,0,0|1,0,0]=2 249 B5R0.2 CSCSSC CNP0313036.0 [0,1,0,0,0,0|0,0,0]=1 250 B5R0.2 CSSSSC CNP0225688.0 [0,1,0,0,0,0|1,0,0]=2 251 B5R0.2 N#CCCCO CNP0358912.0 [0,1,0,0,0,0|3,0,0]=4 252 B5R0.2 NCCCC=O CNP0359033.0 [0,1,0,0,0,0|3,0,0]=4 253 B5R0.2 NCCCCN CNP0116270.0 [0,1,0,0,0,0|3,0,0]=4 254 B5R0.2 NCCCCO CNP0514594.0 [0,1,0,0,0,0|3,0,0]=4 255 B5R0.2 OCCCCBr CNP0083982.0 [0,1,0,0,0,0|3,0,0]=4 256 B5R0.2 OCCCCCl CNP0079807.0 [0,1,0,0,0,0|3,0,0]=4 257 B5R0.2 OCCCCO CNP0080008.0 [0,1,0,0,0,0|3,0,0]=4 258 B5R0.2 [C-]#[N+]CCCC CNP0522879.0 [0,1,0,0,0,0|2,0,1]=4 259 B5R0.3 C=C[C@@H](O)CC CNP0331558.1 [0,1,0,0,0,0|2,0,1]=4 260 B5R0.3 C=C[C@H](O)CC CNP0331558.2 [0,1,0,0,0,0|2,0,1]=4 261 B5R0.3 CC=C(C)CC CNP0247687.0 [0,1,0,0,0,0|2,0,1]=4 262 B5R0.3 CCC(=O)CC CNP0270305.0 [0,1,0,0,0,0|2,0,1]=4 263 B5R0.3 CCC(=O)OC CNP0166631.0 [0,1,0,0,0,0|1,1,1]=4 264 B5R0.3 CCC(=O)SC CNP0240172.0 [0,1,0,0,0,0|1,0,1]=3 265 B5R0.3 CCC(C)CC CNP0316485.0 [0,1,0,0,0,0|2,0,0]=3 266 B5R0.3 CCC(C)CS CNP0003009.0 [0,1,0,0,0,0|3,0,0]=4 267 B5R0.3 CCC(N)CC CNP0103985.0 [0,1,0,0,0,0|2,0,0]=3 268 B5R0.3 CCC(N)NC CNP0278870.0 [0,1,0,0,0,0|2,0,0]=3 269 B5R0.3 CCC(O)CC CNP0293075.0 [0,1,0,0,0,0|2,0,0]=3 270 B5R0.3 CCC(O)CCl CNP0366953.0 [0,1,0,0,0,0|3,0,0]=4 271 B5R0.3 CCC(O)CO CNP0534149.0 [0,1,0,0,0,0|3,0,0]=4 272 B5R0.3 CCC(S)CS CNP0197461.0 [0,1,0,0,0,0|3,0,0]=4 273 B5R0.3 CCC(S)SC CNP0609154.0 [0,1,0,0,0,0|1,0,0]=2 274 B5R0.3 CC[C@@H](C)C=O CNP0220551.2 [0,1,0,0,0,0|3,0,0]=4 275 B5R0.3 CC[C@@H](C)CO CNP0185673.1 [0,1,0,0,0,0|3,0,0]=4 276 B5R0.3 CC[C@H](C)C#N CNP0343114.1 [0,1,0,0,0,0|3,0,0]=4 277 B5R0.3 CC[C@H](C)C=O CNP0220551.1 [0,1,0,0,0,0|3,0,0]=4 278 B5R0.3 CC[C@H](C)CN CNP0233909.1 [0,1,0,0,0,0|3,0,0]=4 279 B5R0.3 CC[C@H](C)CO CNP0185673.2 [0,1,0,0,0,0|3,0,0]=4 280 B5R0.3 CC[C@H](C)NC CNP0236959.1 [0,1,0,0,0,0|2,0,0]=3 281 B5R0.3 CC[S+](C)CC CNP0038064.0 [0,1,0,0,0,0|3,0,0]=4 282 B5R0.3 CC[S](C)CC CNP0523180.0 [0,1,0,0,0,0|3,0,0]=4 283 B5R0.3 CNC(=N)NC CNP0404528.0 [0,1,0,0,0,0|2,0,1]=4 284 B5R0.3 CNC(=O)NC CNP0028412.0 [0,1,0,0,0,0|2,0,1]=4 285 B5R0.3 CNC(=O)OC CNP0483114.0 [0,1,0,0,0,0|1,1,1]=4 286 B5R0.3 COC(C)CO CNP0485411.0 [0,1,0,0,0,0|2,1,0]=4 287 B5R0.3 COC(C)OC CNP0122626.0 [0,1,0,0,0,0|0,2,0]=3 288 B5R0.3 CSC(C)SC CNP0610569.0 [0,1,0,0,0,0|0,0,0]=1 289 B5R1.1 C1=CCCC1 CNP0534738.0 [0,0,0,1,0,0|2,0,1]=4 290 B5R1.1 C1=CCOC1 CNP0579994.0 [0,0,0,1,0,0|1,1,1]=4 291 B5R1.1 C1=CNCC1 CNP0527065.0 [0,0,0,1,0,0|2,0,1]=4 292 B5R1.1 C1=COCC1 CNP0540644.0 [0,0,0,1,0,0|1,1,1]=4 293 B5R1.1 C1=CSCC1 CNP0496655.0 [0,0,0,1,0,0|1,0,1]=3 294 B5R1.1 C1=CSCS1 CNP0479150.0 [0,0,0,1,0,0|0,0,2]=3 295 B5R1.1 C1=CSSC1 CNP0490976.0 [0,0,0,1,0,0|2,0,1]=4 296 B5R1.1 C1=NCCC1 CNP0581055.0 [0,0,0,1,0,0|2,0,1]=4 297 B5R1.1 C1=PCCC1 CNP0609027.0 [0,0,0,1,0,0|2,0,1]=4 298 B5R1.1 C1CCCC1 CNP0566364.0 [0,0,0,1,0,0|2,0,0]=3 299 B5R1.1 C1CCNC1 CNP0572990.0 [0,0,0,1,0,0|2,0,0]=3 300 B5R1.1 C1CCOC1 CNP0507941.0 [0,0,0,1,0,0|1,1,0]=3 301 B5R1.1 C1CCPC1 CNP0598418.0 [0,0,0,1,0,0|2,0,0]=3 302 B5R1.1 C1CCSC1 CNP0569262.0 [0,0,0,1,0,0|1,0,0]=2 303 B5R1.1 C1COCO1 CNP0568859.0 [0,0,0,1,0,0|0,2,0]=3 304 B5R1.1 C1CSCN1 CNP0561874.0 [0,0,0,1,0,0|1,0,0]=2 305 B5R1.1 C1CSSC1 CNP0501166.0 [0,0,0,1,0,0|2,0,0]=3 306 B5R1.1 C1SCSS1 CNP0507701.0 [0,0,0,1,0,0|1,0,0]=2 307 B5R1.2 CC1CCC1 CNP0546383.0 [0,0,0,1,0,0|2,0,0]=3 308 B5R1.2 NC1CCC1 CNP0609061.0 [0,0,0,1,0,0|3,0,0]=4 309 B5R1.2 OC1CCC1 CNP0562500.0 [0,0,0,1,0,0|3,0,0]=4 310 B5R1.2 [O-][S+]1CCC1 CNP0520919.0 [0,0,0,1,0,0|2,0,1]=4 311 B5R1.3 CC=C1CC1 CNP0594561.0 [0,0,0,1,0,0|2,0,1]=4 312 B5R1.3 ClC[C@@H]1CO1 CNP0569559.2 [0,0,0,1,0,0|2,1,0]=4 313 B5R1.3 ClC[C@H]1CO1 CNP0569559.1 [0,0,0,1,0,0|2,1,0]=4 314 B5R1.3 OCC1CC1 CNP0604045.0 [0,0,0,1,0,0|3,0,0]=4 315 B5R1.3 OCC1CO1 CNP0517243.0 [0,0,0,1,0,0|2,1,0]=4 316 B5R1.4 CC1OC1C CNP0609093.0 [0,0,0,1,0,0|3,0,0]=4 317 B5R1.4 C[C@@H]1S[C@@H]1C CNP0577092.1 [0,0,0,1,0,0|3,0,0]=4 318 B2R0.1 BrCBr CNP0494232.0 [2,0,0,0,0,0|2,0,0]=4 319 B2R0.1 BrCI CNP0594254.0 [2,0,0,0,0,0|2,0,0]=4 320 B2R0.1 C=CC CNP0522895.0 [2,0,0,0,0,0|0,0,2]=4 321 B2R0.1 CC#N CNP0510997.0 [2,0,0,0,0,0|1,0,1]=4 322 B2R0.1 CC=O CNP0566693.0 [2,0,0,0,0,0|0,1,1]=4 323 B2R0.1 CCBr CNP0511569.0 [2,0,0,0,0,0|1,0,0]=3 324 B2R0.1 CCC CNP0529348.0 [2,0,0,0,0,0|0,0,0]=2 325 B2R0.1 CCCl CNP0605324.0 [2,0,0,0,0,0|1,0,0]=3 326 B2R0.1 CCI CNP0562236.0 [2,0,0,0,0,0|1,0,0]=3 327 B2R0.1 CCN CNP0561286.0 [2,0,0,0,0,0|1,0,0]=3 328 B2R0.1 CCO CNP0546367.0 [2,0,0,0,0,0|0,1,0]=3 329 B2R0.1 CCS CNP0491795.0 [2,0,0,0,0,0|0,0,0]=2 330 B2R0.1 CN=N CNP0513298.0 [2,0,0,0,0,0|2,0,0]=4 331 B2R0.1 CNC CNP0491602.0 [2,0,0,0,0,0|1,0,0]=3 332 B2R0.1 CNN CNP0609070.0 [2,0,0,0,0,0|2,0,0]=4 333 B2R0.1 COC CNP0580850.0 [2,0,0,0,0,0|0,1,0]=3 334 B2R0.1 CON CNP0566773.0 [2,0,0,0,0,0|1,1,0]=4 335 B2R0.1 CPC CNP0528872.0 [2,0,0,0,0,0|1,0,0]=3 336 B2R0.1 CSC CNP0569922.0 [2,0,0,0,0,0|0,0,0]=2 337 B2R0.1 CSS CNP0611991.0 [2,0,0,0,0,0|0,0,0]=2 338 B2R0.1 C[C]=O CNP0538355.0 [2,0,0,0,0,0|0,1,1]=4 339 B2R0.1 C[C]O CNP0601692.0 [2,0,0,0,0,0|0,1,1]=4 340 B2R0.1 C[Se]C CNP0500399.0 [2,0,0,0,0,0|0,1,0]=3 341 B2R0.1 C[Te]C CNP0483858.0 [2,0,0,0,0,0|0,1,0]=3 342 B2R0.1 ClCBr CNP0528283.0 [2,0,0,0,0,0|2,0,0]=4 343 B2R0.1 ClCCl CNP0529345.0 [2,0,0,0,0,0|2,0,0]=4 344 B2R0.1 ClCI CNP0600514.0 [2,0,0,0,0,0|2,0,0]=4 345 B2R0.1 ICI CNP0526769.0 [2,0,0,0,0,0|2,0,0]=4 346 B2R0.1 N#CS CNP0590020.0 [2,0,0,0,0,0|1,0,1]=4 347 B2R0.1 OCO CNP0551435.0 [2,0,0,0,0,0|0,2,0]=4 348 B2R0.1 SCS CNP0488241.0 [2,0,0,0,0,0|0,0,0]=2 349 B2R0.1 [C-]#[N+]C CNP0561919.0 [2,0,0,0,0,0|1,0,1]=4 350 B2R0.1 [CH-]=CC CNP0546792.0 [2,0,0,0,0,0|0,0,2]=4 351 B2R0.1 [CH2]CC CNP0535049.0 [2,0,0,0,0,0|0,0,1]=3 352 B4R0.1 C#CC(C)C CNP0586699.0 [1,1,0,0,0,0|1,0,1]=4 353 B4R0.1 C=C(C)CC CNP0605035.0 [1,1,0,0,0,0|1,0,0]=3 354 B4R0.1 C=C(C)CO CNP0505353.0 [1,1,0,0,0,0|1,1,0]=4 355 B4R0.1 C=CC(C)C CNP0589769.0 [1,1,0,0,0,0|1,0,1]=4 356 B4R0.1 C=C[C@@H](C)O CNP0512445.2 [1,1,0,0,0,0|1,0,1]=4 357 B4R0.1 C=C[C@H](C)O CNP0512445.1 [1,1,0,0,0,0|1,0,1]=4 358 B4R0.1 CC(=O)CBr CNP0602861.0 [1,1,0,0,0,0|2,0,0]=4 359 B4R0.1 CC(=O)CI CNP0515381.0 [1,1,0,0,0,0|2,0,0]=4 360 B4R0.1 CC(=O)CN CNP0602829.0 [1,1,0,0,0,0|2,0,0]=4 361 B4R0.1 CC(=O)CO CNP0487266.0 [1,1,0,0,0,0|1,1,0]=4 362 B4R0.1 CC(=O)CS CNP0514893.0 [1,1,0,0,0,0|1,0,0]=3 363 B4R0.1 CC(C)C=O CNP0511471.0 [1,1,0,0,0,0|2,0,0]=4 364 B4R0.1 CC(C)C=[17O] CNP0484940.0 [1,1,0,0,0,0|2,0,0]=4 365 B4R0.1 CC(C)CN CNP0490050.0 [1,1,0,0,0,0|2,0,0]=4 366 B4R0.1 CC(C)CO CNP0493868.0 [1,1,0,0,0,0|1,1,0]=4 367 B4R0.1 CC(C)CS CNP0494383.0 [1,1,0,0,0,0|1,0,0]=3 368 B4R0.1 CC(N)C#N CNP0567528.0 [1,1,0,0,0,0|2,0,0]=4 369 B4R0.1 CC(N)C=O CNP0531209.0 [1,1,0,0,0,0|2,0,0]=4 370 B4R0.1 CC(N)CN CNP0579261.0 [1,1,0,0,0,0|2,0,0]=4 371 B4R0.1 CC(S)CS CNP0488983.0 [1,1,0,0,0,0|1,0,0]=3 372 B4R0.1 CC=C(C)C CNP0502707.0 [1,1,0,0,0,0|1,0,1]=4 373 B4R0.1 CCC(=N)S CNP0544659.0 [1,1,0,0,0,0|1,0,1]=4 374 B4R0.1 CCC(=O)Br CNP0583620.0 [1,1,0,0,0,0|2,0,0]=4 375 B4R0.1 CCC(=O)C CNP0486447.0 [1,1,0,0,0,0|1,0,0]=3 376 B4R0.1 CCC(=O)Cl CNP0502198.0 [1,1,0,0,0,0|2,0,0]=4 377 B4R0.1 CCC(=O)I CNP0549008.0 [1,1,0,0,0,0|2,0,0]=4 378 B4R0.1 CCC(=O)N CNP0512752.0 [1,1,0,0,0,0|2,0,0]=4 379 B4R0.1 CCC(=O)O CNP0572679.0 [1,1,0,0,0,0|2,0,0]=4 380 B4R0.1 CCC(=O)[O-] CNP0505645.0 [1,1,0,0,0,0|2,0,0]=4 381 B4R0.1 CCC(=O)[O-] CNP0584211.0 [1,1,0,0,0,0|2,0,0]=4 382 B4R0.1 CCC(=O)[O-] CNP0604604.0 [1,1,0,0,0,0|2,0,0]=4 383 B4R0.1 CCC(C)C CNP0492867.0 [1,1,0,0,0,0|1,0,0]=3 384 B4R0.1 CCC(C)N CNP0520467.0 [1,1,0,0,0,0|1,0,0]=3 385 B4R0.1 CCC(O)O CNP0533578.0 [1,1,0,0,0,0|1,1,0]=4 386 B4R0.1 CCC(O)S CNP0612126.0 [1,1,0,0,0,0|1,0,0]=3 387 B4R0.1 CC[C@@H](C)O CNP0577352.1 [1,1,0,0,0,0|1,0,0]=3 388 B4R0.1 CC[C@@H](C)S CNP0572211.1 [1,1,0,0,0,0|1,0,0]=3 389 B4R0.1 CC[C@H](C)O CNP0577352.2 [1,1,0,0,0,0|1,0,0]=3 390 B4R0.1 CNC(=O)C CNP0491397.0 [1,1,0,0,0,0|1,0,1]=4 391 B4R0.1 CNC(=S)S CNP0524147.0 [1,1,0,0,0,0|1,0,1]=4 392 B4R0.1 CNC(C)C CNP0489071.0 [1,1,0,0,0,0|1,0,0]=3 393 B4R0.1 COC(=O)C CNP0578880.0 [1,1,0,0,0,0|0,1,1]=4 394 B4R0.1 CSC(=N)N CNP0572889.0 [1,1,0,0,0,0|1,0,1]=4 395 B4R0.1 CSC(=O)C CNP0491622.0 [1,1,0,0,0,0|0,0,1]=3 396 B4R0.1 CSC(C)C CNP0486491.0 [1,1,0,0,0,0|0,0,0]=2 397 B4R0.1 CSC(C)S CNP0497634.0 [1,1,0,0,0,0|0,0,0]=2 398 B4R0.1 CS[S@@+](C)[O-] CNP0525842.1 [1,1,0,0,0,0|0,0,1]=3 399 B4R0.1 CS[S@@H+](C)[O-] CNP0579172.1 [1,1,0,0,0,0|0,0,1]=3 400 B4R0.1 C[C@@H](Cl)CCl CNP0573757.1 [1,1,0,0,0,0|2,0,0]=4 401 B4R0.1 C[C@@H](N)CO CNP0589695.1 [1,1,0,0,0,0|1,1,0]=4 402 B4R0.1 C[C@@H](O)C#N CNP0491457.1 [1,1,0,0,0,0|2,0,0]=4 403 B4R0.1 C[C@@H](O)C=O CNP0482941.1 [1,1,0,0,0,0|2,0,0]=4 404 B4R0.1 C[C@@H](O)CO CNP0522839.2 [1,1,0,0,0,0|1,1,0]=4 405 B4R0.1 C[C@H](N)CO CNP0589695.2 [1,1,0,0,0,0|1,1,0]=4 406 B4R0.1 C[C@H](O)C=O CNP0482941.2 [1,1,0,0,0,0|2,0,0]=4 407 B4R0.1 C[C@H](O)CBr CNP0593715.1 [1,1,0,0,0,0|2,0,0]=4 408 B4R0.1 C[C@H](O)CN CNP0571248.1 [1,1,0,0,0,0|2,0,0]=4 409 B4R0.1 C[C@H](O)CO CNP0522839.1 [1,1,0,0,0,0|1,1,0]=4 410 B4R0.1 O=C(O)CS CNP0502399.0 [1,1,0,0,0,0|2,0,0]=4 411 B6R0.1 C/C=C/[S@@+]([O-])SC CNP0489846.1 [0,2,0,0,0,0|1,0,1]=4 412 B6R0.1 C/C=C/[S@@H+]([O-])SC CNP0574496.1 [0,2,0,0,0,0|1,0,1]=4 413 B6R0.1 C=CC[S@+]([O-])SC CNP0594212.2 [0,2,0,0,0,0|1,0,1]=4 414 B6R0.1 C=CC[S@@+]([O-])SC CNP0594212.1 [0,2,0,0,0,0|1,0,1]=4 415 B6R0.1 C=CC[S@@H+]([O-])SC CNP0536830.1 [0,2,0,0,0,0|1,0,1]=4 416 B6R0.1 CC=C(C)CSC CNP0003230.0 [0,2,0,0,0,0|1,0,0]=3 417 B6R0.1 CCC(=O)CSC CNP0170567.0 [0,2,0,0,0,0|1,0,0]=3 418 B6R0.1 CCC(Br)CCBr CNP0612222.0 [0,2,0,0,0,0|2,0,0]=4 419 B6R0.1 CCCC(=NO)C CNP0211014.0 [0,2,0,0,0,0|2,0,0]=4 420 B6R0.1 CCCC(=O)CC CNP0248158.0 [0,2,0,0,0,0|2,0,0]=4 421 B6R0.1 CCCC(=O)CO CNP0084314.0 [0,2,0,0,0,0|2,0,0]=4 422 B6R0.1 CCCC(=O)OC CNP0159910.0 [0,2,0,0,0,0|1,1,0]=4 423 B6R0.1 CCCC(=O)SC CNP0084452.0 [0,2,0,0,0,0|1,0,0]=3 424 B6R0.1 CCCC(C)C#N CNP0583202.0 [0,2,0,0,0,0|2,0,0]=4 425 B6R0.1 CCC[C@@H](C)C=O CNP0370387.1 [0,2,0,0,0,0|2,0,0]=4 426 B6R0.1 CCC[C@@H](C)CC CNP0407855.1 [0,2,0,0,0,0|2,0,0]=4 427 B6R0.1 CCC[C@@H](C)CO CNP0356704.1 [0,2,0,0,0,0|2,0,0]=4 428 B6R0.1 CCC[C@@H](C)SC CNP0188673.1 [0,2,0,0,0,0|1,0,0]=3 429 B6R0.1 CCC[C@@H](O)CC CNP0346810.2 [0,2,0,0,0,0|2,0,0]=4 430 B6R0.1 CCC[C@H](C)CC CNP0407855.2 [0,2,0,0,0,0|2,0,0]=4 431 B6R0.1 CCC[C@H](C)CO CNP0356704.2 [0,2,0,0,0,0|2,0,0]=4 432 B6R0.1 CCC[C@H](C)NC CNP0298650.1 [0,2,0,0,0,0|2,0,0]=4 433 B6R0.1 CCC[C@H](O)CC CNP0346810.1 [0,2,0,0,0,0|2,0,0]=4 434 B6R0.1 CCC[S+]([O-])SC CNP0596263.0 [0,2,0,0,0,0|1,0,0]=3 435 B6R0.1 CCOC(C)CC CNP0086282.0 [0,2,0,0,0,0|1,1,0]=4 436 B6R0.1 CCOC(C)OC CNP0612171.0 [0,2,0,0,0,0|0,2,0]=4 437 B6R0.1 CCSC(=O)CC CNP0265303.0 [0,2,0,0,0,0|1,0,1]=4 438 B6R0.1 CCSC(C)SC CNP0611888.0 [0,2,0,0,0,0|0,0,0]=2 439 B6R0.1 CCSC(S)CC CNP0488688.0 [0,2,0,0,0,0|1,0,0]=3 440 B6R0.1 CC[C@@H](C)CCO CNP0260863.2 [0,2,0,0,0,0|2,0,0]=4 441 B6R0.1 CC[C@@H](C)SSC CNP0348346.1 [0,2,0,0,0,0|1,0,0]=3 442 B6R0.1 CC[C@H](C)CCO CNP0260863.1 [0,2,0,0,0,0|2,0,0]=4 443 B6R0.1 CNCC(=O)OC CNP0311286.0 [0,2,0,0,0,0|1,1,0]=4 444 B6R0.1 COC(=O)CSC CNP0189712.0 [0,2,0,0,0,0|0,1,0]=3 445 B6R0.1 COCC(=O)OC CNP0202591.0 [0,2,0,0,0,0|0,2,0]=4 446 B6R0.1 COC[C@@H](O)CO CNP0105123.1 [0,2,0,0,0,0|1,1,0]=4 447 B6R0.1 COC[C@H](O)CO CNP0105123.2 [0,2,0,0,0,0|1,1,0]=4 448 B6R0.1 CSC(C)CC=O CNP0002406.0 [0,2,0,0,0,0|1,0,1]=4 449 B6R0.1 OC[C@@H](O)CSO CNP0536094.1 [0,2,0,0,0,0|2,0,0]=4 450 B6R0.2 C=C(C)CC(=O)C CNP0331918.0 [0,2,0,0,0,0|2,0,0]=4 451 B6R0.2 CC(=N)CC(=O)C CNP0178786.0 [0,2,0,0,0,0|2,0,0]=4 452 B6R0.2 CC(=O)CC(=O)C CNP0267628.0 [0,2,0,0,0,0|2,0,0]=4 453 B6R0.2 CC(=O)CC(C)C CNP0178924.0 [0,2,0,0,0,0|2,0,0]=4 454 B6R0.2 CC(=O)C[C@@H](C)O CNP0209002.1 [0,2,0,0,0,0|2,0,0]=4 455 B6R0.2 CC(=O)C[C@H](C)O CNP0209002.2 [0,2,0,0,0,0|2,0,0]=4 456 B6R0.2 CC(C)CC(C)C CNP0241759.0 [0,2,0,0,0,0|2,0,0]=4 457 B6R0.2 CC(C)CC(C)O CNP0493734.0 [0,2,0,0,0,0|2,0,0]=4 458 B6R0.2 CC(C)C[C@@H](C)N CNP0556567.1 [0,2,0,0,0,0|2,0,0]=4 459 B6R0.2 CC(C)C[S@@+](C)[O-] CNP0553779.1 [0,2,0,0,0,0|1,0,1]=4 460 B6R0.2 CC(C)C[S@@H+](C)[O-] CNP0593384.1 [0,2,0,0,0,0|1,0,1]=4 461 B6R0.2 CN(C)C[S+](C)[O-] CNP0538671.0 [0,2,0,0,0,0|1,0,1]=4 462 B6R0.2 C[C@@H](O)C[C@@H](C)O CNP0138640.1 [0,2,0,0,0,0|2,0,0]=4 463 B6R0.3 C=C(C)[C@H](C)CC CNP0076705.1 [0,2,0,0,0,0|2,0,0]=4 464 B6R0.3 CCC(O)C(=O)C CNP0413470.0 [0,2,0,0,0,0|2,0,0]=4 465 B6R0.3 CCC(O)C(C)C CNP0265736.0 [0,2,0,0,0,0|2,0,0]=4 466 B6R0.3 CCC(O)C(C)O CNP0519497.0 [0,2,0,0,0,0|2,0,0]=4 467 B6R0.3 CCC(S)C(=O)C CNP0064467.0 [0,2,0,0,0,0|2,0,0]=4 468 B6R0.3 CCC(S)C(C)C CNP0611989.0 [0,2,0,0,0,0|2,0,0]=4 469 B6R0.3 CC[C@@H](C)C(=O)C CNP0151175.1 [0,2,0,0,0,0|2,0,0]=4 470 B6R0.3 CC[C@@H](C)[C@@H](C)O CNP0061619.1 [0,2,0,0,0,0|2,0,0]=4 471 B6R0.3 CC[C@@H](O)C(=O)C CNP0413470.1 [0,2,0,0,0,0|2,0,0]=4 472 B6R0.3 CC[C@H](C)C(=O)C CNP0151175.2 [0,2,0,0,0,0|2,0,0]=4 473 B6R0.3 CC[C@H](C)C(C)C CNP0304167.1 [0,2,0,0,0,0|2,0,0]=4 474 B6R0.3 CC[C@H](C)[C@@H](C)O CNP0061619.2 [0,2,0,0,0,0|2,0,0]=4 475 B6R0.3 CO[C@@H](C)C(=O)C CNP0325332.1 [0,2,0,0,0,0|1,1,0]=4 476 B6R0.3 CSC(C)C(=O)C CNP0075921.0 [0,2,0,0,0,0|1,0,0]=3 477 B6R0.3 CSC(C)C(C)C CNP0245218.0 [0,2,0,0,0,0|1,0,0]=3 478 B6R0.4 C/C=C/S[S@@+](C)[O-] CNP0519070.2 [0,2,0,0,0,0|1,0,1]=4 479 B6R0.4 C/C=C/S[S@@H+](C)[O-] CNP0550380.1 [0,2,0,0,0,0|1,0,1]=4 480 B6R0.4 C/C=C\S[S@@+](C)[O-] CNP0519070.1 [0,2,0,0,0,0|1,0,1]=4 481 B6R0.4 C/C=C\S[S@@H+](C)[O-] CNP0550380.2 [0,2,0,0,0,0|1,0,1]=4 482 B6R0.4 C=C(C)CCSC CNP0330891.0 [0,2,0,0,0,0|1,0,0]=3 483 B6R0.4 C=CCSC(=O)C CNP0301401.0 [0,2,0,0,0,0|1,0,1]=4 484 B6R0.4 C=CCSC(C)C CNP0309084.0 [0,2,0,0,0,0|1,0,1]=4 485 B6R0.4 C=CCS[S@+](C)[O-] CNP0503783.1 [0,2,0,0,0,0|1,0,1]=4 486 B6R0.4 C=CCS[S@H+](C)[O-] CNP0588299.1 [0,2,0,0,0,0|1,0,1]=4 487 B6R0.4 CC(C)CCCO CNP0344466.0 [0,2,0,0,0,0|2,0,0]=4 488 B6R0.4 CC(C)CSC#N CNP0268195.0 [0,2,0,0,0,0|1,0,1]=4 489 B6R0.4 CC=CCC(C)C CNP0081831.0 [0,2,0,0,0,0|2,0,0]=4 490 B6R0.4 CC=CCC(C)O CNP0217280.0 [0,2,0,0,0,0|2,0,0]=4 491 B6R0.4 CCCC=C(C)O CNP0268446.0 [0,2,0,0,0,0|2,0,0]=4 492 B6R0.4 CCCCC(=O)C CNP0194685.0 [0,2,0,0,0,0|2,0,0]=4 493 B6R0.4 CCCCC(C)C CNP0312749.0 [0,2,0,0,0,0|2,0,0]=4 494 B6R0.4 CCCC[C@@H](C)O CNP0276755.1 [0,2,0,0,0,0|2,0,0]=4 495 B6R0.4 CCCC[C@H](C)O CNP0276755.2 [0,2,0,0,0,0|2,0,0]=4 496 B6R0.4 CCCNC(=O)C CNP0115400.0 [0,2,0,0,0,0|2,0,0]=4 497 B6R0.4 CCCOC(=O)C CNP0274142.0 [0,2,0,0,0,0|1,1,0]=4 498 B6R0.4 CCCSC(=O)C CNP0076500.0 [0,2,0,0,0,0|1,0,0]=3 499 B6R0.4 CCCSC(C)C CNP0228244.0 [0,2,0,0,0,0|1,0,0]=3 500 B6R0.4 CCCSC(C)S CNP0609747.0 [0,2,0,0,0,0|1,0,0]=3 501 B6R0.4 CCCS[S+](C)[O-] CNP0597218.0 [0,2,0,0,0,0|1,0,0]=3 502 B6R0.4 CCNCC(C)C CNP0165310.0 [0,2,0,0,0,0|2,0,0]=4 503 B6R0.4 CCOC[C@@H](C)O CNP0076159.1 [0,2,0,0,0,0|1,1,0]=4 504 B6R0.4 CCSCC(C)C CNP0208462.0 [0,2,0,0,0,0|1,0,0]=3 505 B6R0.4 CCSSC(C)C CNP0003135.0 [0,2,0,0,0,0|2,0,0]=4 506 B6R0.4 CNCCC(C)C CNP0254439.0 [0,2,0,0,0,0|2,0,0]=4 507 B6R0.4 COCC=C(C)C CNP0493784.0 [0,2,0,0,0,0|1,1,0]=4 508 B6R0.4 COCCC(C)C CNP0316382.0 [0,2,0,0,0,0|1,1,0]=4 509 B6R0.4 COCCN(C)C CNP0429553.0 [0,2,0,0,0,0|1,1,0]=4 510 B6R0.4 CSCCC(=O)C CNP0353152.0 [0,2,0,0,0,0|1,0,0]=3 511 B6R0.4 CSCCC(=O)N CNP0220146.0 [0,2,0,0,0,0|1,0,1]=4 512 B6R0.4 CSCCC(=O)O CNP0143779.0 [0,2,0,0,0,0|1,0,1]=4 513 B6R0.4 CSCC[C@@H](C)O CNP0206291.1 [0,2,0,0,0,0|1,0,0]=3 514 B6R0.4 CSCSC(=O)C CNP0232862.0 [0,2,0,0,0,0|0,0,0]=2 515 B6R0.4 CSSC[S@@+](C)[O-] CNP0590331.1 [0,2,0,0,0,0|0,0,1]=3 516 B6R0.4 CSSC[S@@H+](C)[O-] CNP0509730.1 [0,2,0,0,0,0|0,0,1]=3 517 B6R0.4 C[S@+]([O-])CCCN CNP0591601.1 [0,2,0,0,0,0|1,0,1]=4 518 B6R0.4 C[S@H+]([O-])CCCN CNP0545944.1 [0,2,0,0,0,0|1,0,1]=4 519 B6R0.5 CCCC(C)(C)C CNP0308764.0 [0,2,0,0,0,0|2,0,0]=4 520 B6R0.5 CCCC(C)(C)O CNP0258393.0 [0,2,0,0,0,0|2,0,0]=4 521 B6R0.5 CCC[N+](C)(C)C CNP0523784.0 [0,2,0,0,0,0|2,0,0]=4 522 B6R0.5 CSCS(=O)(=O)C CNP0157265.0 [0,2,0,0,0,0|0,0,1]=3 523 B6R0.6 C=CCCCCC CNP0226691.0 [0,2,0,0,0,0|2,0,0]=4 524 B6R0.6 C=CCSCC=C CNP0303954.0 [0,2,0,0,0,0|1,0,1]=4 525 B6R0.6 C=CCSCCC CNP0150756.0 [0,2,0,0,0,0|1,0,0]=3 526 B6R0.6 C=CCSSSC CNP0338885.0 [0,2,0,0,0,0|1,0,0]=3 527 B6R0.6 C=CCSSSS CNP0003499.0 [0,2,0,0,0,0|2,0,0]=4 528 B6R0.6 CC#CCCCO CNP0320046.0 [0,2,0,0,0,0|2,0,0]=4 529 B6R0.6 CC#CSC=CC CNP0514607.0 [0,2,0,0,0,0|1,0,1]=4 530 B6R0.6 CC=CCCCC CNP0158475.0 [0,2,0,0,0,0|2,0,0]=4 531 B6R0.6 CC=CCCCO CNP0309139.0 [0,2,0,0,0,0|2,0,0]=4 532 B6R0.6 CC=CCSCC CNP0575773.0 [0,2,0,0,0,0|1,0,0]=3 533 B6R0.6 CC=CSC=CC CNP0002507.0 [0,2,0,0,0,0|1,0,1]=4 534 B6R0.6 CC=CSCCC CNP0320861.0 [0,2,0,0,0,0|1,0,0]=3 535 B6R0.6 CC=CSSCC CNP0418756.0 [0,2,0,0,0,0|1,0,1]=4 536 B6R0.6 CC=CSSSC CNP0265306.0 [0,2,0,0,0,0|1,0,0]=3 537 B6R0.6 CCC=CCCC CNP0391454.0 [0,2,0,0,0,0|2,0,0]=4 538 B6R0.6 CCCC#CCO CNP0314465.0 [0,2,0,0,0,0|2,0,0]=4 539 B6R0.6 CCCC=CCO CNP0254124.0 [0,2,0,0,0,0|2,0,0]=4 540 B6R0.6 CCCCCC#N CNP0412353.0 [0,2,0,0,0,0|2,0,0]=4 541 B6R0.6 CCCCCC=O CNP0304790.0 [0,2,0,0,0,0|2,0,0]=4 542 B6R0.6 CCCCCCC CNP0290800.0 [0,2,0,0,0,0|2,0,0]=4 543 B6R0.6 CCCCCCN CNP0213933.0 [0,2,0,0,0,0|2,0,0]=4 544 B6R0.6 CCCCCCO CNP0317600.0 [0,2,0,0,0,0|2,0,0]=4 545 B6R0.6 CCCCCCS CNP0167948.0 [0,2,0,0,0,0|2,0,0]=4 546 B6R0.6 CCCCCC[O-] CNP0579903.0 [0,2,0,0,0,0|2,0,0]=4 547 B6R0.6 CCCCCNC CNP0276164.0 [0,2,0,0,0,0|2,0,0]=4 548 B6R0.6 CCCCCOC CNP0358174.0 [0,2,0,0,0,0|1,1,0]=4 549 B6R0.6 CCCCCSC CNP0293012.0 [0,2,0,0,0,0|1,0,0]=3 550 B6R0.6 CCCCCSS CNP0228282.0 [0,2,0,0,0,0|2,0,0]=4 551 B6R0.6 CCCCSSC CNP0532819.0 [0,2,0,0,0,0|1,0,0]=3 552 B6R0.6 CCCNCCC CNP0129820.0 [0,2,0,0,0,0|2,0,0]=4 553 B6R0.6 CCCOCCO CNP0079853.0 [0,2,0,0,0,0|1,1,0]=4 554 B6R0.6 CCCSCCC CNP0173387.0 [0,2,0,0,0,0|1,0,0]=3 555 B6R0.6 CCCSSCC CNP0322971.0 [0,2,0,0,0,0|1,0,0]=3 556 B6R0.6 CCCSSSC CNP0104471.0 [0,2,0,0,0,0|1,0,0]=3 557 B6R0.6 CCOCCCO CNP0304052.0 [0,2,0,0,0,0|1,1,0]=4 558 B6R0.6 CCOCCCS CNP0267296.0 [0,2,0,0,0,0|1,1,0]=4 559 B6R0.6 CCSCCCO CNP0355297.0 [0,2,0,0,0,0|1,0,0]=3 560 B6R0.6 CCSSCSC CNP0003140.0 [0,2,0,0,0,0|0,0,0]=2 561 B6R0.6 CCSSSCC CNP0196220.0 [0,2,0,0,0,0|1,0,0]=3 562 B6R0.6 CNCCCCN CNP0157274.0 [0,2,0,0,0,0|2,0,0]=4 563 B6R0.6 COCC#CCO CNP0527985.0 [0,2,0,0,0,0|1,1,0]=4 564 B6R0.6 COCCCCO CNP0570905.0 [0,2,0,0,0,0|1,1,0]=4 565 B6R0.6 CSCCCC#N CNP0286857.0 [0,2,0,0,0,0|1,0,0]=3 566 B6R0.6 CSCCCC=O CNP0002814.0 [0,2,0,0,0,0|1,0,0]=3 567 B6R0.6 CSCCCCO CNP0002400.0 [0,2,0,0,0,0|1,0,0]=3 568 B6R0.6 CSCCCN=S CNP0092190.0 [0,2,0,0,0,0|1,0,0]=3 569 B6R0.6 CSCCN=C=S CNP0002691.0 [0,2,0,0,0,0|1,0,1]=4 570 B6R0.6 CSSSSSC CNP0351120.0 [0,2,0,0,0,0|1,0,0]=3 571 B6R0.6 NCCCCCN CNP0184259.0 [0,2,0,0,0,0|2,0,0]=4 572 B6R0.6 NCCCCCO CNP0032450.0 [0,2,0,0,0,0|2,0,0]=4 573 B6R0.6 OCCCCCO CNP0201249.0 [0,2,0,0,0,0|2,0,0]=4 574 B6R0.6 OCCSCCO CNP0335773.0 [0,2,0,0,0,0|2,0,0]=4 575 B6R0.8 CCC(C)(C)CC CNP0117655.0 [0,2,0,0,0,0|2,0,0]=4 576 B6R0.8 CCC(C)(C)SC CNP0141733.0 [0,2,0,0,0,0|1,0,0]=3 577 B6R0.8 CCC(C)(O)CC CNP0314635.0 [0,2,0,0,0,0|2,0,0]=4 578 B6R0.8 COP(=O)(N)SC CNP0341467.0 [0,2,0,0,0,0|1,1,0]=4 579 B6R0.8 CSC(C)(C)C=O CNP0126812.0 [0,2,0,0,0,0|2,0,0]=4 580 B6R0.8 CSC(C)(C)SC CNP0076175.0 [0,2,0,0,0,0|0,0,0]=2 581 B6R0.9 C=CC(OC)OC CNP0324949.0 [0,2,0,0,0,0|0,2,0]=4 582 B6R0.9 C=C[C@@H](CC)OC CNP0276971.1 [0,2,0,0,0,0|1,1,0]=4 583 B6R0.9 CCC(C#N)CC CNP0152089.0 [0,2,0,0,0,0|2,0,0]=4 584 B6R0.9 CCC(C=O)CC CNP0353251.0 [0,2,0,0,0,0|2,0,0]=4 585 B6R0.9 CCC(CC)CC CNP0205695.0 [0,2,0,0,0,0|2,0,0]=4 586 B6R0.9 CCC(CC)SC CNP0410895.0 [0,2,0,0,0,0|1,0,0]=3 587 B6R0.9 CCC(OC)OC CNP0171881.0 [0,2,0,0,0,0|0,2,0]=4 588 B4R1.1 C1CCC1 CNP0580344.0 [1,0,0,1,0,0|1,0,0]=3 589 B4R1.1 C1CSC1 CNP0598686.0 [1,0,0,1,0,0|0,0,0]=2 590 B4R1.2 CC1=CC1 CNP0610335.0 [1,0,0,1,0,0|1,0,1]=4 591 B4R1.2 CC1CC1 CNP0597751.0 [1,0,0,1,0,0|1,0,0]=3 592 B4R1.2 CC1CN1 CNP0565195.0 [1,0,0,1,0,0|1,0,0]=3 593 B4R1.2 CC1CO1 CNP0586888.0 [1,0,0,1,0,0|0,1,0]=3 594 B4R1.2 CC1CS1 CNP0482664.0 [1,0,0,1,0,0|0,0,0]=2 595 B4R1.2 C[C@H]1CS1 CNP0482664.1 [1,0,0,1,0,0|0,0,0]=2 596 B4R1.2 NC1CC1 CNP0519928.0 [1,0,0,1,0,0|2,0,0]=4 597 B6R1.2 C=C1CCCC1 CNP0338602.0 [0,1,0,1,0,0|2,0,0]=4 598 B6R1.2 CC1=CCCC1 CNP0610106.0 [0,1,0,1,0,0|2,0,0]=4 599 B6R1.2 CC1=CCCS1 CNP0003101.0 [0,1,0,1,0,0|1,0,1]=4 600 B6R1.2 CC1=CCOC1 CNP0516552.0 [0,1,0,1,0,0|1,1,0]=4 601 B6R1.2 CC1=CCSS1 CNP0166363.0 [0,1,0,1,0,0|2,0,0]=4 602 B6R1.2 CC1=CSSC1 CNP0310441.0 [0,1,0,1,0,0|1,0,1]=4 603 B6R1.2 CC1=NCCS1 CNP0225264.0 [0,1,0,1,0,0|1,0,1]=4 604 B6R1.2 CC1=NCSC1 CNP0134706.0 [0,1,0,1,0,0|1,0,0]=3 605 B6R1.2 CC1CC=CS1 CNP0249135.0 [0,1,0,1,0,0|1,0,1]=4 606 B6R1.2 CC1CCCC1 CNP0194612.0 [0,1,0,1,0,0|2,0,0]=4 607 B6R1.2 CC1CCCO1 CNP0502439.0 [0,1,0,1,0,0|1,1,0]=4 608 B6R1.2 CC1OCCO1 CNP0611683.0 [0,1,0,1,0,0|0,2,0]=4 609 B6R1.2 CC1SCCS1 CNP0002932.0 [0,1,0,1,0,0|0,0,0]=2 610 B6R1.2 CN1CC=CC1 CNP0257888.0 [0,1,0,1,0,0|2,0,0]=4 611 B6R1.2 CN1CCCC1 CNP0395436.0 [0,1,0,1,0,0|2,0,0]=4 612 B6R1.2 C[C@@H]1CCCN1 CNP0080827.1 [0,1,0,1,0,0|2,0,0]=4 613 B6R1.2 C[C@@H]1CCSC1 CNP0174337.1 [0,1,0,1,0,0|1,0,0]=3 614 B6R1.2 C[C@H]1NCCS1 CNP0150573.1 [0,1,0,1,0,0|1,0,0]=3 615 B6R1.2 C[N+]1=CCCC1 CNP0251573.0 [0,1,0,1,0,0|2,0,0]=4 616 B6R1.2 NC1=NCCS1 CNP0490176.0 [0,1,0,1,0,0|1,0,1]=4 617 B6R1.2 NN1CCCC1 CNP0577233.0 [0,1,0,1,0,0|2,0,0]=4 618 B6R1.2 O=C1CCCC1 CNP0287963.0 [0,1,0,1,0,0|2,0,0]=4 619 B6R1.2 O=C1CCCS1 CNP0084584.0 [0,1,0,1,0,0|1,0,1]=4 620 B6R1.2 O=C1CCOC1 CNP0051503.0 [0,1,0,1,0,0|1,1,0]=4 621 B6R1.2 O=C1CCSC1 CNP0003522.0 [0,1,0,1,0,0|1,0,0]=3 622 B6R1.2 OC1CCCC1 CNP0085994.0 [0,1,0,1,0,0|2,0,0]=4 623 B6R1.2 OC1CSSC1 CNP0317557.0 [0,1,0,1,0,0|2,0,0]=4 624 B6R1.2 SC1CCCC1 CNP0280825.0 [0,1,0,1,0,0|2,0,0]=4 625 B6R1.2 SC1CCCS1 CNP0002503.0 [0,1,0,1,0,0|1,0,0]=3 626 B6R1.2 [O-][S+]1CSSC1 CNP0506954.0 [0,1,0,1,0,0|1,0,1]=4 627 B6R1.2 [O-][S@+]1CSCS1 CNP0581645.1 [0,1,0,1,0,0|1,0,0]=3 628 B6R1.2 [O-][S@@+]1CSCS1 CNP0581645.2 [0,1,0,1,0,0|1,0,0]=3 629 B6R1.2 [O-][S@H+]1CSCS1 CNP0533797.1 [0,1,0,1,0,0|1,0,0]=3 630 B6R1.2 [O-][SH+]1CSSC1 CNP0541582.0 [0,1,0,1,0,0|1,0,1]=4 631 B6R1.3 CCCC1CC1 CNP0506060.0 [0,1,0,1,0,0|2,0,0]=4 632 B6R1.3 N#CC[C@@H]1CS1 CNP0134968.2 [0,1,0,1,0,0|1,0,1]=4 633 B6R1.3 N#CC[C@H]1CS1 CNP0134968.1 [0,1,0,1,0,0|1,0,1]=4 634 B6R1.8 CC[C@@H]1C[C@@H]1C CNP0076250.1 [0,1,0,1,0,0|2,0,0]=4 635 B6R1.9 CC1CC1(C)C CNP0507743.0 [0,1,0,1,0,0|2,0,0]=4 636 B6R1.1 C1=CCCCC1 CNP0275665.0 [0,1,0,1,0,0|2,0,0]=4 637 B6R1.1 C1=CCNCC1 CNP0086452.0 [0,1,0,1,0,0|2,0,0]=4 638 B6R1.1 C1=CSSCC1 CNP0530429.0 [0,1,0,1,0,0|1,0,1]=4 639 B6R1.1 C1=NCCCC1 CNP0139263.0 [0,1,0,1,0,0|2,0,0]=4 640 B6R1.1 C1CCCCC1 CNP0220772.0 [0,1,0,1,0,0|2,0,0]=4 641 B6R1.1 C1CCNCC1 CNP0153358.0 [0,1,0,1,0,0|2,0,0]=4 642 B6R1.1 C1CCOCC1 CNP0484551.0 [0,1,0,1,0,0|1,1,0]=4 643 B6R1.1 C1CNCCN1 CNP0389558.0 [0,1,0,1,0,0|2,0,0]=4 644 B6R1.1 C1CNCCN1 CNP0554301.0 [0,1,0,1,0,0|2,0,0]=4 645 B6R1.1 C1COCCN1 CNP0167865.0 [0,1,0,1,0,0|1,1,0]=4 646 B6R1.1 C1COCCO1 CNP0353166.0 [0,1,0,1,0,0|0,2,0]=4 647 B6R1.1 C1COCSC1 CNP0517977.0 [0,1,0,1,0,0|0,1,0]=3 648 B6R1.1 C1CSCCS1 CNP0316640.0 [0,1,0,1,0,0|0,0,0]=2 649 B6R1.1 C1CSCSC1 CNP0221424.0 [0,1,0,1,0,0|0,0,0]=2 650 B6R1.1 C1CSSCS1 CNP0173795.0 [0,1,0,1,0,0|0,0,0]=2 651 B6R1.1 C1CSSSC1 CNP0124260.0 [0,1,0,1,0,0|1,0,0]=3 652 B6R1.1 C1CSSSS1 CNP0579601.0 [0,1,0,1,0,0|1,0,0]=3 653 B6R1.1 C1SCSCS1 CNP0146146.0 [0,1,0,1,0,0|0,0,0]=2 654 B6R1.1 C1SSCSS1 CNP0111847.0 [0,1,0,1,0,0|1,0,0]=3 655 B6R1.1 C1[SiH2]C[SiH2]C[SiH2]1 CNP0127858.0 [0,1,0,1,0,0|2,0,0]=4 656 B6R1.4 C[C@H]1CS[C@@H]1C CNP0207395.1 [0,1,0,1,0,0|1,0,0]=3