0 B5R0.1 C=C(C)C=CC CNP0348667.0 [0,0,0,0,0,0|0,0,2]=2 1 B5R0.1 C=C(C)CCC CNP0179329.0 [0,0,0,0,0,0|0,0,4]=4 2 B5R0.1 C=CC=C(C)C CNP0130651.0 [0,0,0,0,0,0|0,0,2]=2 3 B5R0.1 C=CCC(=O)C CNP0385825.0 [0,0,0,0,0,0|1,0,3]=4 4 B5R0.1 C=CCC(C)C CNP0293683.0 [0,0,0,0,0,0|0,0,2]=2 5 B5R0.1 C=CCC(C)O CNP0594112.0 [0,0,0,0,0,0|1,0,2]=3 6 B5R0.1 C=CC[S@+](C)[O-] CNP0483153.2 [0,0,0,0,0,0|2,0,2]=4 7 B5R0.1 C=CC[S@@+](C)[O-] CNP0483153.1 [0,0,0,0,0,0|2,0,2]=4 8 B5R0.1 C=COC(=O)C CNP0003526.0 [0,0,0,0,0,0|2,0,2]=4 9 B5R0.1 C=COC(C)C CNP0491165.0 [0,0,0,0,0,0|1,0,1]=2 10 B5R0.1 CC(=CC#N)C CNP0294715.0 [0,0,0,0,0,0|1,0,2]=3 11 B5R0.1 CC(=CC=O)C CNP0325416.0 [0,0,0,0,0,0|1,0,1]=2 12 B5R0.1 CC(=CCO)C CNP0241702.0 [0,0,0,0,0,0|1,0,2]=3 13 B5R0.1 CC(=CCS)C CNP0262600.0 [0,0,0,0,0,0|1,0,2]=3 14 B5R0.1 CC(=O)C=NO CNP0397193.0 [0,0,0,0,0,0|3,0,1]=4 15 B5R0.1 CC(C)C=CO CNP0546358.0 [0,0,0,0,0,0|1,0,0]=1 16 B5R0.1 CC(C)C=NO CNP0180575.0 [0,0,0,0,0,0|2,0,0]=2 17 B5R0.1 CC(C)CC#N CNP0003467.0 [0,0,0,0,0,0|1,0,2]=3 18 B5R0.1 CC(C)CC=O CNP0200023.0 [0,0,0,0,0,0|1,0,1]=2 19 B5R0.1 CC(C)CCN CNP0107663.0 [0,0,0,0,0,0|1,0,2]=3 20 B5R0.1 CC(C)CCO CNP0115711.0 [0,0,0,0,0,0|1,0,2]=3 21 B5R0.1 CC(C)CCS CNP0222694.0 [0,0,0,0,0,0|1,0,2]=3 22 B5R0.1 CC(C)CNO CNP0343206.0 [0,0,0,0,0,0|2,0,1]=3 23 B5R0.1 CC(C)N=C=O CNP0495487.0 [0,0,0,0,0,0|2,0,1]=3 24 B5R0.1 CC(C)N=C=S CNP0332549.0 [0,0,0,0,0,0|2,0,1]=3 25 B5R0.1 CC(C)OC=O CNP0079775.0 [0,0,0,0,0,0|2,0,0]=2 26 B5R0.1 CC(C)ON=N CNP0504626.0 [0,0,0,0,0,0|3,0,0]=3 27 B5R0.1 CC(O)CCS CNP0002409.0 [0,0,0,0,0,0|2,0,2]=4 28 B5R0.1 CC(S)CCS CNP0003105.0 [0,0,0,0,0,0|2,0,2]=4 29 B5R0.1 CC=CC(=N)S CNP0609462.0 [0,0,0,0,0,0|2,0,1]=3 30 B5R0.1 CC=CC(=O)C CNP0158055.0 [0,0,0,0,0,0|1,0,1]=2 31 B5R0.1 CC=CC(=O)Cl CNP0018733.0 [0,0,0,0,0,0|2,0,1]=3 32 B5R0.1 CC=CC(=O)N CNP0376163.0 [0,0,0,0,0,0|2,0,1]=3 33 B5R0.1 CC=CC(=O)O CNP0379669.0 [0,0,0,0,0,0|2,0,1]=3 34 B5R0.1 CC=CC(=O)S CNP0128183.0 [0,0,0,0,0,0|2,0,1]=3 35 B5R0.1 CC=CC(=S)N CNP0219494.0 [0,0,0,0,0,0|2,0,1]=3 36 B5R0.1 CC=CC(C)C CNP0513218.0 [0,0,0,0,0,0|0,0,0]=0 37 B5R0.1 CC=CC(C)O CNP0150168.0 [0,0,0,0,0,0|1,0,0]=1 38 B5R0.1 CC=CS(=S)O CNP0498878.0 [0,0,0,0,0,0|3,0,0]=3 39 B5R0.1 CCC=C(C)C CNP0331653.0 [0,0,0,0,0,0|0,0,2]=2 40 B5R0.1 CCC=C(C)O CNP0225775.0 [0,0,0,0,0,0|1,0,2]=3 41 B5R0.1 CCCC(=O)C CNP0169448.0 [0,0,0,0,0,0|1,0,3]=4 42 B5R0.1 CCCC(C)C CNP0319065.0 [0,0,0,0,0,0|0,0,2]=2 43 B5R0.1 CCCC(C)S CNP0029638.0 [0,0,0,0,0,0|1,0,2]=3 44 B5R0.1 CCCC(O)O CNP0076336.0 [0,0,0,0,0,0|2,0,2]=4 45 B5R0.1 CCC[C@@H](C)O CNP0287976.1 [0,0,0,0,0,0|1,0,2]=3 46 B5R0.1 CCC[C@H](C)O CNP0287976.2 [0,0,0,0,0,0|1,0,2]=3 47 B5R0.1 CCNC(=O)C CNP0260078.0 [0,0,0,0,0,0|2,0,2]=4 48 B5R0.1 CCOC(=O)C CNP0322418.0 [0,0,0,0,0,0|2,0,2]=4 49 B5R0.1 CCOC(C)C CNP0604172.0 [0,0,0,0,0,0|1,0,1]=2 50 B5R0.1 CCO[13C](=O)C CNP0577601.0 [0,0,0,0,0,0|2,0,2]=4 51 B5R0.1 CCSC(=O)C CNP0274861.0 [0,0,0,0,0,0|2,0,2]=4 52 B5R0.1 CCSC(C)C CNP0254931.0 [0,0,0,0,0,0|1,0,1]=2 53 B5R0.1 CCSC(C)S CNP0579398.0 [0,0,0,0,0,0|2,0,1]=3 54 B5R0.1 CN(C)CC#N CNP0084986.0 [0,0,0,0,0,0|2,0,2]=4 55 B5R0.1 CN(C)CCCl CNP0328789.0 [0,0,0,0,0,0|2,0,2]=4 56 B5R0.1 CN(C)CCO CNP0230038.0 [0,0,0,0,0,0|2,0,2]=4 57 B5R0.1 CN=CC(C)C CNP0149349.0 [0,0,0,0,0,0|1,0,0]=1 58 B5R0.1 CNCC(C)C CNP0273998.0 [0,0,0,0,0,0|1,0,1]=2 59 B5R0.1 COCC(=O)C CNP0581024.0 [0,0,0,0,0,0|2,0,2]=4 60 B5R0.1 COCC(C)C CNP0528468.0 [0,0,0,0,0,0|1,0,1]=2 61 B5R0.1 CSCC(=O)C CNP0002513.0 [0,0,0,0,0,0|2,0,2]=4 62 B5R0.1 CSCC(C)C CNP0405087.0 [0,0,0,0,0,0|1,0,1]=2 63 B5R0.1 CSC[S@+](C)[O-] CNP0604118.1 [0,0,0,0,0,0|3,0,1]=4 64 B5R0.1 CSSC(C)C CNP0267830.0 [0,0,0,0,0,0|2,0,0]=2 65 B5R0.1 C[C@@H](O)CC#N CNP0115714.1 [0,0,0,0,0,0|2,0,2]=4 66 B5R0.1 C[C@@H](O)CC=O CNP0197470.1 [0,0,0,0,0,0|2,0,1]=3 67 B5R0.1 C[C@@H](O)CCO CNP0110972.2 [0,0,0,0,0,0|2,0,2]=4 68 B5R0.1 C[C@H](O)CCO CNP0110972.1 [0,0,0,0,0,0|2,0,2]=4 69 B5R0.1 NC(=O)C=CI CNP0204270.0 [0,0,0,0,0,0|3,0,1]=4 70 B5R0.1 O=C(O)C=CBr CNP0310992.0 [0,0,0,0,0,0|3,0,1]=4 71 B5R0.1 O=C(O)C=CCl CNP0293481.0 [0,0,0,0,0,0|3,0,1]=4 72 B5R0.1 O=C(O)C=CI CNP0239582.0 [0,0,0,0,0,0|3,0,1]=4 73 B5R0.1 O=CC=C(Br)Br CNP0270728.0 [0,0,0,0,0,0|3,0,1]=4 74 B4R0.1 C#CC(C)C CNP0586699.0 [1,0,0,0,0,0|0,0,2]=3 75 B4R0.1 C=C(C)C=O CNP0479149.0 [1,0,0,0,0,0|1,0,2]=4 76 B4R0.1 C=C(C)CC CNP0605035.0 [1,0,0,0,0,0|0,0,3]=4 77 B4R0.1 C=CC(=C)C CNP0489519.0 [1,0,0,0,0,0|0,0,2]=3 78 B4R0.1 C=CC(=N)N CNP0498731.0 [1,0,0,0,0,0|2,0,1]=4 79 B4R0.1 C=CC(=O)C CNP0571315.0 [1,0,0,0,0,0|1,0,1]=3 80 B4R0.1 C=CC(=O)Cl CNP0569586.0 [1,0,0,0,0,0|2,0,1]=4 81 B4R0.1 C=CC(=O)N CNP0574606.0 [1,0,0,0,0,0|2,0,1]=4 82 B4R0.1 C=CC(=O)O CNP0590547.0 [1,0,0,0,0,0|2,0,1]=4 83 B4R0.1 C=CC(=O)[O-] CNP0528918.0 [1,0,0,0,0,0|2,0,1]=4 84 B4R0.1 C=CC(C)C CNP0589769.0 [1,0,0,0,0,0|0,0,0]=1 85 B4R0.1 C=C[C@@H](C)O CNP0512445.2 [1,0,0,0,0,0|1,0,0]=2 86 B4R0.1 C=C[C@H](C)O CNP0512445.1 [1,0,0,0,0,0|1,0,0]=2 87 B4R0.1 CC(=NO)C CNP0591673.0 [1,0,0,0,0,0|2,0,1]=4 88 B4R0.1 CC(=O)C=O CNP0574322.0 [1,0,0,0,0,0|2,0,1]=4 89 B4R0.1 CC(C)C=O CNP0511471.0 [1,0,0,0,0,0|1,0,0]=2 90 B4R0.1 CC(C)C=[17O] CNP0484940.0 [1,0,0,0,0,0|1,0,0]=2 91 B4R0.1 CC(C)CN CNP0490050.0 [1,0,0,0,0,0|1,0,1]=3 92 B4R0.1 CC(C)CO CNP0493868.0 [1,0,0,0,0,0|1,0,1]=3 93 B4R0.1 CC(C)CS CNP0494383.0 [1,0,0,0,0,0|1,0,1]=3 94 B4R0.1 CC(N)C#N CNP0567528.0 [1,0,0,0,0,0|2,0,1]=4 95 B4R0.1 CC(N)C=O CNP0531209.0 [1,0,0,0,0,0|2,0,0]=3 96 B4R0.1 CC(N)CN CNP0579261.0 [1,0,0,0,0,0|2,0,1]=4 97 B4R0.1 CC(S)CS CNP0488983.0 [1,0,0,0,0,0|2,0,1]=4 98 B4R0.1 CC=C(C)C CNP0502707.0 [1,0,0,0,0,0|0,0,1]=2 99 B4R0.1 CCC(=O)C CNP0486447.0 [1,0,0,0,0,0|1,0,2]=4 100 B4R0.1 CCC(C)C CNP0492867.0 [1,0,0,0,0,0|0,0,1]=2 101 B4R0.1 CCC(C)N CNP0520467.0 [1,0,0,0,0,0|1,0,1]=3 102 B4R0.1 CCC(O)O CNP0533578.0 [1,0,0,0,0,0|2,0,1]=4 103 B4R0.1 CCC(O)S CNP0612126.0 [1,0,0,0,0,0|2,0,1]=4 104 B4R0.1 CC[C@@H](C)O CNP0577352.1 [1,0,0,0,0,0|1,0,1]=3 105 B4R0.1 CC[C@@H](C)S CNP0572211.1 [1,0,0,0,0,0|1,0,1]=3 106 B4R0.1 CC[C@H](C)O CNP0577352.2 [1,0,0,0,0,0|1,0,1]=3 107 B4R0.1 CN(C)C=O CNP0566193.0 [1,0,0,0,0,0|2,0,0]=3 108 B4R0.1 CN(C)C=S CNP0516551.0 [1,0,0,0,0,0|2,0,0]=3 109 B4R0.1 CN(C)N=O CNP0503536.0 [1,0,0,0,0,0|3,0,0]=4 110 B4R0.1 CN(N)C=O CNP0593819.0 [1,0,0,0,0,0|3,0,0]=4 111 B4R0.1 CN(O)C=S CNP0483835.0 [1,0,0,0,0,0|3,0,0]=4 112 B4R0.1 CNC(=O)C CNP0491397.0 [1,0,0,0,0,0|2,0,1]=4 113 B4R0.1 CNC(C)C CNP0489071.0 [1,0,0,0,0,0|1,0,0]=2 114 B4R0.1 COC(=O)C CNP0578880.0 [1,0,0,0,0,0|2,0,1]=4 115 B4R0.1 CSC(=O)C CNP0491622.0 [1,0,0,0,0,0|2,0,1]=4 116 B4R0.1 CSC(C)C CNP0486491.0 [1,0,0,0,0,0|1,0,0]=2 117 B4R0.1 CSC(C)S CNP0497634.0 [1,0,0,0,0,0|2,0,0]=3 118 B4R0.1 CS[S@@+](C)[O-] CNP0525842.1 [1,0,0,0,0,0|3,0,0]=4 119 B4R0.1 CS[S@@H+](C)[O-] CNP0579172.1 [1,0,0,0,0,0|3,0,0]=4 120 B4R0.1 C[C@@H](Cl)CCl CNP0573757.1 [1,0,0,0,0,0|2,0,1]=4 121 B4R0.1 C[C@@H](N)CO CNP0589695.1 [1,0,0,0,0,0|2,0,1]=4 122 B4R0.1 C[C@@H](O)C#N CNP0491457.1 [1,0,0,0,0,0|2,0,1]=4 123 B4R0.1 C[C@@H](O)C=O CNP0482941.1 [1,0,0,0,0,0|2,0,0]=3 124 B4R0.1 C[C@@H](O)CO CNP0522839.2 [1,0,0,0,0,0|2,0,1]=4 125 B4R0.1 C[C@H](N)CO CNP0589695.2 [1,0,0,0,0,0|2,0,1]=4 126 B4R0.1 C[C@H](O)C=O CNP0482941.2 [1,0,0,0,0,0|2,0,0]=3 127 B4R0.1 C[C@H](O)CBr CNP0593715.1 [1,0,0,0,0,0|2,0,1]=4 128 B4R0.1 C[C@H](O)CN CNP0571248.1 [1,0,0,0,0,0|2,0,1]=4 129 B4R0.1 C[C@H](O)CO CNP0522839.1 [1,0,0,0,0,0|2,0,1]=4 130 B4R0.1 C[C](C)C=O CNP0568847.0 [1,0,0,0,0,0|1,0,1]=3 131 B4R0.1 O=CC(Br)Br CNP0551465.0 [1,0,0,0,0,0|3,0,0]=4 132 B4R0.1 O=CC(Cl)Cl CNP0500598.0 [1,0,0,0,0,0|3,0,0]=4 133 B4R0.2 C#CC=CC CNP0541501.0 [1,0,0,0,0,0|0,0,2]=3 134 B4R0.2 C#CCCC CNP0510243.0 [1,0,0,0,0,0|0,0,3]=4 135 B4R0.2 C=C=CCC CNP0484675.0 [1,0,0,0,0,0|0,0,2]=3 136 B4R0.2 C=CC=CC CNP0501543.0 [1,0,0,0,0,0|0,0,2]=3 137 B4R0.2 C=CC=NO CNP0532391.0 [1,0,0,0,0,0|2,0,1]=4 138 B4R0.2 C=CCCC CNP0529271.0 [1,0,0,0,0,0|0,0,2]=3 139 B4R0.2 C=CCCN CNP0493733.0 [1,0,0,0,0,0|1,0,2]=4 140 B4R0.2 C=CCCO CNP0599473.0 [1,0,0,0,0,0|1,0,2]=4 141 B4R0.2 C=CCSC CNP0572475.0 [1,0,0,0,0,0|1,0,2]=4 142 B4R0.2 C=CC[Se]C CNP0612039.0 [1,0,0,0,0,0|1,0,2]=4 143 B4R0.2 C=COCC CNP0567970.0 [1,0,0,0,0,0|1,0,1]=3 144 B4R0.2 C=CSCC CNP0581257.0 [1,0,0,0,0,0|1,0,1]=3 145 B4R0.2 CC#CCC CNP0516358.0 [1,0,0,0,0,0|0,0,2]=3 146 B4R0.2 CC=CC#N CNP0588304.0 [1,0,0,0,0,0|1,0,1]=3 147 B4R0.2 CC=CC=O CNP0576575.0 [1,0,0,0,0,0|1,0,1]=3 148 B4R0.2 CC=CCC CNP0524560.0 [1,0,0,0,0,0|0,0,0]=1 149 B4R0.2 CC=CCO CNP0498228.0 [1,0,0,0,0,0|1,0,0]=2 150 B4R0.2 CC=CCS CNP0606069.0 [1,0,0,0,0,0|1,0,0]=2 151 B4R0.2 CC=CSC CNP0587371.0 [1,0,0,0,0,0|1,0,0]=2 152 B4R0.2 CC=CSO CNP0521494.0 [1,0,0,0,0,0|2,0,0]=3 153 B4R0.2 CCC#CO CNP0612045.0 [1,0,0,0,0,0|1,0,2]=4 154 B4R0.2 CCC=NO CNP0599998.0 [1,0,0,0,0,0|2,0,0]=3 155 B4R0.2 CCC=S=O CNP0514855.0 [1,0,0,0,0,0|2,0,0]=3 156 B4R0.2 CCCC=O CNP0518034.0 [1,0,0,0,0,0|1,0,1]=3 157 B4R0.2 CCCCC CNP0486380.0 [1,0,0,0,0,0|0,0,2]=3 158 B4R0.2 CCCCI CNP0558480.0 [1,0,0,0,0,0|1,0,2]=4 159 B4R0.2 CCCCN CNP0597509.0 [1,0,0,0,0,0|1,0,2]=4 160 B4R0.2 CCCCO CNP0505612.0 [1,0,0,0,0,0|1,0,2]=4 161 B4R0.2 CCCCS CNP0598878.0 [1,0,0,0,0,0|1,0,2]=4 162 B4R0.2 CCCNC CNP0599313.0 [1,0,0,0,0,0|1,0,1]=3 163 B4R0.2 CCCOC CNP0609062.0 [1,0,0,0,0,0|1,0,1]=3 164 B4R0.2 CCCSC CNP0481317.0 [1,0,0,0,0,0|1,0,1]=3 165 B4R0.2 CCCSO CNP0594110.0 [1,0,0,0,0,0|2,0,1]=4 166 B4R0.2 CCN=C=S CNP0601773.0 [1,0,0,0,0,0|2,0,1]=4 167 B4R0.2 CCNCC CNP0491960.0 [1,0,0,0,0,0|1,0,1]=3 168 B4R0.2 CCOC=O CNP0525155.0 [1,0,0,0,0,0|2,0,0]=3 169 B4R0.2 CCOCC CNP0572765.0 [1,0,0,0,0,0|1,0,1]=3 170 B4R0.2 CCON=O CNP0596964.0 [1,0,0,0,0,0|3,0,0]=4 171 B4R0.2 CCSC#N CNP0540962.0 [1,0,0,0,0,0|2,0,1]=4 172 B4R0.2 CCSCC CNP0518873.0 [1,0,0,0,0,0|1,0,1]=3 173 B4R0.2 CCSSC CNP0571147.0 [1,0,0,0,0,0|2,0,0]=3 174 B4R0.2 CN=CC=S CNP0547393.0 [1,0,0,0,0,0|2,0,0]=3 175 B4R0.2 CNCCN CNP0496542.0 [1,0,0,0,0,0|2,0,1]=4 176 B4R0.2 CNCCO CNP0513801.0 [1,0,0,0,0,0|2,0,1]=4 177 B4R0.2 COCCI CNP0495552.0 [1,0,0,0,0,0|2,0,1]=4 178 B4R0.2 COCCO CNP0561250.0 [1,0,0,0,0,0|2,0,1]=4 179 B4R0.2 COCC[Si] CNP0501162.0 [1,0,0,0,0,0|1,1,1]=4 180 B4R0.2 CSCC=O CNP0555203.0 [1,0,0,0,0,0|2,0,1]=4 181 B4R0.2 CSCCO CNP0574269.0 [1,0,0,0,0,0|2,0,1]=4 182 B4R0.2 CSCSC CNP0591427.0 [1,0,0,0,0,0|2,0,1]=4 183 B4R0.2 CSSSC CNP0486985.0 [1,0,0,0,0,0|3,0,0]=4 184 B4R0.2 CS[Se]SC CNP0608554.0 [1,0,0,0,0,0|3,0,0]=4 185 B4R0.2 ClC=CCCl CNP0530301.0 [1,0,0,0,0,0|2,0,0]=3 186 B4R0.2 NCCC=O CNP0502520.0 [1,0,0,0,0,0|2,0,1]=4 187 B4R0.2 O=CC=CCl CNP0542132.0 [1,0,0,0,0,0|2,0,1]=4 188 B4R0.2 O=CCCO CNP0525339.0 [1,0,0,0,0,0|2,0,1]=4 189 B4R0.2 OCC=CCl CNP0578872.0 [1,0,0,0,0,0|2,0,0]=3 190 B4R0.2 [C-]#[N+]CCC CNP0525086.0 [1,0,0,0,0,0|1,0,2]=4 191 B6R0.1 C/C=C/[S@@+]([O-])SC CNP0489846.1 [0,1,0,0,0,0|2,0,0]=3 192 B6R0.1 C/C=C/[S@@H+]([O-])SC CNP0574496.1 [0,1,0,0,0,0|2,0,0]=3 193 B6R0.1 C=CC=C(C)C=C CNP0076815.0 [0,1,0,0,0,0|0,0,3]=4 194 B6R0.1 C=CC=C(C)CO CNP0191364.0 [0,1,0,0,0,0|0,0,2]=3 195 B6R0.1 C=CC[C@H](C)C=O CNP0283012.1 [0,1,0,0,0,0|0,0,3]=4 196 B6R0.1 CC(=CC=O)CO CNP0083852.0 [0,1,0,0,0,0|1,0,1]=3 197 B6R0.1 CC(=CCO)CO CNP0277047.0 [0,1,0,0,0,0|1,0,2]=4 198 B6R0.1 CC=C(C)CSC CNP0003230.0 [0,1,0,0,0,0|1,0,2]=4 199 B6R0.1 CC=CC(=CC)C CNP0535908.0 [0,1,0,0,0,0|0,0,1]=2 200 B6R0.1 CC=CC(=O)CC CNP0127812.0 [0,1,0,0,0,0|1,0,1]=3 201 B6R0.1 CC=CC(=O)OC CNP0003452.0 [0,1,0,0,0,0|1,0,1]=3 202 B6R0.1 CC=CS(=S)OC CNP0560483.0 [0,1,0,0,0,0|2,0,0]=3 203 B6R0.1 CC=NN(C)C=O CNP0241743.0 [0,1,0,0,0,0|2,0,1]=4 204 B6R0.1 CCC(C)C=NO CNP0605626.0 [0,1,0,0,0,0|2,0,0]=3 205 B6R0.1 CCC(C)CC=O CNP0531748.0 [0,1,0,0,0,0|1,0,1]=3 206 B6R0.1 CCC(C)NC=O CNP0583042.0 [0,1,0,0,0,0|2,0,0]=3 207 B6R0.1 CCC(C)OC=O CNP0570369.0 [0,1,0,0,0,0|2,0,0]=3 208 B6R0.1 CCC(C)ON=O CNP0521211.0 [0,1,0,0,0,0|3,0,0]=4 209 B6R0.1 CCC=C(C)C=O CNP0245615.0 [0,1,0,0,0,0|0,0,3]=4 210 B6R0.1 CCC=C(C)CO CNP0511576.0 [0,1,0,0,0,0|0,0,2]=3 211 B6R0.1 CCCC(C)C#N CNP0583202.0 [0,1,0,0,0,0|0,0,3]=4 212 B6R0.1 CCC[C@@H](C)C=O CNP0370387.1 [0,1,0,0,0,0|0,0,3]=4 213 B6R0.1 CCC[C@@H](C)CC CNP0407855.1 [0,1,0,0,0,0|0,0,2]=3 214 B6R0.1 CCC[C@@H](C)CO CNP0356704.1 [0,1,0,0,0,0|0,0,2]=3 215 B6R0.1 CCC[C@@H](C)SC CNP0188673.1 [0,1,0,0,0,0|0,0,2]=3 216 B6R0.1 CCC[C@@H](O)CC CNP0346810.2 [0,1,0,0,0,0|1,0,2]=4 217 B6R0.1 CCC[C@H](C)CC CNP0407855.2 [0,1,0,0,0,0|0,0,2]=3 218 B6R0.1 CCC[C@H](C)CO CNP0356704.2 [0,1,0,0,0,0|0,0,2]=3 219 B6R0.1 CCC[C@H](C)NC CNP0298650.1 [0,1,0,0,0,0|0,0,2]=3 220 B6R0.1 CCC[C@H](O)CC CNP0346810.1 [0,1,0,0,0,0|1,0,2]=4 221 B6R0.1 CCOC(C)CC CNP0086282.0 [0,1,0,0,0,0|1,0,1]=3 222 B6R0.1 CCOC(C)OC CNP0612171.0 [0,1,0,0,0,0|1,0,1]=3 223 B6R0.1 CCO[C@H](C)OO CNP0135079.1 [0,1,0,0,0,0|2,0,1]=4 224 B6R0.1 CCSC(C)SC CNP0611888.0 [0,1,0,0,0,0|1,0,1]=3 225 B6R0.1 CCSC(S)CC CNP0488688.0 [0,1,0,0,0,0|2,0,1]=4 226 B6R0.1 CC[C@@H](C)CCO CNP0260863.2 [0,1,0,0,0,0|1,0,2]=4 227 B6R0.1 CC[C@@H](C)N=C=S CNP0416348.1 [0,1,0,0,0,0|2,0,1]=4 228 B6R0.1 CC[C@@H](C)SSC CNP0348346.1 [0,1,0,0,0,0|2,0,0]=3 229 B6R0.1 CC[C@H](C)CCO CNP0260863.1 [0,1,0,0,0,0|1,0,2]=4 230 B6R0.1 CC[C@H](C)N=C=S CNP0416348.2 [0,1,0,0,0,0|2,0,1]=4 231 B6R0.1 COC(=O)C=CBr CNP0321764.0 [0,1,0,0,0,0|2,0,1]=4 232 B6R0.1 COC(=O)C=CI CNP0190700.0 [0,1,0,0,0,0|2,0,1]=4 233 B6R0.1 COC[C@@H](O)CO CNP0105123.1 [0,1,0,0,0,0|2,0,1]=4 234 B6R0.1 COC[C@H](O)CO CNP0105123.2 [0,1,0,0,0,0|2,0,1]=4 235 B6R0.1 CSC(C)CC=O CNP0002406.0 [0,1,0,0,0,0|1,0,1]=3 236 B6R0.2 BrC(=CC(Br)Br)Br CNP0261201.0 [0,1,0,0,0,0|3,0,0]=4 237 B6R0.2 BrC(=CC(Br)Br)I CNP0135498.0 [0,1,0,0,0,0|3,0,0]=4 238 B6R0.2 C=C(C)CC(=O)C CNP0331918.0 [0,1,0,0,0,0|0,0,3]=4 239 B6R0.2 CC(=CC(=O)Cl)C CNP0301599.0 [0,1,0,0,0,0|1,0,1]=3 240 B6R0.2 CC(=CC(=O)N)C CNP0186116.0 [0,1,0,0,0,0|1,0,1]=3 241 B6R0.2 CC(=CC(=O)O)C CNP0191929.0 [0,1,0,0,0,0|1,0,1]=3 242 B6R0.2 CC(=CC(=O)O)O CNP0487751.0 [0,1,0,0,0,0|2,0,1]=4 243 B6R0.2 CC(=CC(C)C)C CNP0084966.0 [0,1,0,0,0,0|0,0,0]=1 244 B6R0.2 CC(=C[13C](=O)C)C CNP0541964.0 [0,1,0,0,0,0|0,0,1]=2 245 B6R0.2 CC(=N)CC(=O)C CNP0178786.0 [0,1,0,0,0,0|1,0,2]=4 246 B6R0.2 CC(=O)C=C(C)C CNP0258331.0 [0,1,0,0,0,0|0,0,1]=2 247 B6R0.2 CC(=O)C=C(C)O CNP0344390.0 [0,1,0,0,0,0|1,0,1]=3 248 B6R0.2 CC(=O)CC(=O)C CNP0267628.0 [0,1,0,0,0,0|1,0,2]=4 249 B6R0.2 CC(=O)CC(C)C CNP0178924.0 [0,1,0,0,0,0|0,0,1]=2 250 B6R0.2 CC(=O)C[C@@H](C)O CNP0209002.1 [0,1,0,0,0,0|1,0,1]=3 251 B6R0.2 CC(=O)C[C@H](C)O CNP0209002.2 [0,1,0,0,0,0|1,0,1]=3 252 B6R0.2 CC(=O)NC(=O)C CNP0582746.0 [0,1,0,0,0,0|2,0,1]=4 253 B6R0.2 CC(=O)OC(=O)C CNP0296904.0 [0,1,0,0,0,0|2,0,1]=4 254 B6R0.2 CC(=O)OC(C)C CNP0234567.0 [0,1,0,0,0,0|1,0,0]=2 255 B6R0.2 CC(=O)SC(=O)C CNP0165468.0 [0,1,0,0,0,0|2,0,1]=4 256 B6R0.2 CC(=S)OC(=S)C CNP0526914.0 [0,1,0,0,0,0|2,0,1]=4 257 B6R0.2 CC(=S)OC(C)C CNP0539735.0 [0,1,0,0,0,0|1,0,0]=2 258 B6R0.2 CC(Br)C=C(Br)Br CNP0435859.0 [0,1,0,0,0,0|2,0,0]=3 259 B6R0.2 CC(C)CC(=O)N CNP0512695.0 [0,1,0,0,0,0|1,0,1]=3 260 B6R0.2 CC(C)CC(C)C CNP0241759.0 [0,1,0,0,0,0|0,0,2]=3 261 B6R0.2 CC(C)CC(C)O CNP0493734.0 [0,1,0,0,0,0|0,0,2]=3 262 B6R0.2 CC(C)C[C@@H](C)N CNP0556567.1 [0,1,0,0,0,0|0,0,2]=3 263 B6R0.2 CC(C)C[S@@+](C)[O-] CNP0553779.1 [0,1,0,0,0,0|1,0,1]=3 264 B6R0.2 CC(C)C[S@@H+](C)[O-] CNP0593384.1 [0,1,0,0,0,0|1,0,1]=3 265 B6R0.2 CC(C)NC(=O)N CNP0331187.0 [0,1,0,0,0,0|2,0,0]=3 266 B6R0.2 CC(C)NC(=S)N CNP0284249.0 [0,1,0,0,0,0|2,0,0]=3 267 B6R0.2 CC(C)NC(C)C CNP0209283.0 [0,1,0,0,0,0|1,0,1]=3 268 B6R0.2 CC(C)SC(=N)N CNP0584188.0 [0,1,0,0,0,0|2,0,0]=3 269 B6R0.2 CC(C)SC(C)C CNP0213199.0 [0,1,0,0,0,0|1,0,1]=3 270 B6R0.2 CC(O)CC(=O)N CNP0217857.0 [0,1,0,0,0,0|2,0,1]=4 271 B6R0.2 CC(S)SC(C)S CNP0174729.0 [0,1,0,0,0,0|2,0,1]=4 272 B6R0.2 CN(C)CC(=O)Cl CNP0017846.0 [0,1,0,0,0,0|2,0,1]=4 273 B6R0.2 CN(C)CC(=O)N CNP0045146.0 [0,1,0,0,0,0|2,0,1]=4 274 B6R0.2 CN(C)CC(=O)O CNP0175140.0 [0,1,0,0,0,0|2,0,1]=4 275 B6R0.2 CN(C)C[S+](C)[O-] CNP0538671.0 [0,1,0,0,0,0|2,0,1]=4 276 B6R0.2 C[C@@H](N)CC(=O)O CNP0287180.2 [0,1,0,0,0,0|2,0,1]=4 277 B6R0.2 C[C@@H](O)CC(=O)O CNP0161860.1 [0,1,0,0,0,0|2,0,1]=4 278 B6R0.2 C[C@@H](O)C[C@@H](C)O CNP0138640.1 [0,1,0,0,0,0|1,0,2]=4 279 B6R0.2 C[C@H](N)CC(=O)O CNP0287180.1 [0,1,0,0,0,0|2,0,1]=4 280 B6R0.2 C[C@H](O)CC(=O)O CNP0161860.2 [0,1,0,0,0,0|2,0,1]=4 281 B6R0.2 C[C@H]([13CH3])CC(=O)O CNP0175489.1 [0,1,0,0,0,0|1,0,1]=3 282 B6R0.2 C[C](C)CC(=O)O CNP0606523.0 [0,1,0,0,0,0|1,0,2]=4 283 B6R0.2 C[S+](C)CC(=O)O CNP0149325.0 [0,1,0,0,0,0|2,0,1]=4 284 B6R0.2 C[S+](C)CC(=O)[O-] CNP0153505.0 [0,1,0,0,0,0|2,0,1]=4 285 B6R0.2 ClC(Cl)C=C(Br)Br CNP0320277.0 [0,1,0,0,0,0|3,0,0]=4 286 B6R0.2 Cl[C@@H](Br)C=C(Br)Br CNP0172086.1 [0,1,0,0,0,0|3,0,0]=4 287 B6R0.3 C=C(C)C(=O)OC CNP0278102.0 [0,1,0,0,0,0|1,0,2]=4 288 B6R0.3 C=CC(=O)C(C)C CNP0350661.0 [0,1,0,0,0,0|0,0,1]=2 289 B6R0.3 CC(=C(O)C#N)C CNP0141576.0 [0,1,0,0,0,0|1,0,2]=4 290 B6R0.3 CC(=O)C(=CBr)Br CNP0164912.0 [0,1,0,0,0,0|2,0,1]=4 291 B6R0.3 CC(Br)C(=O)CBr CNP0435945.0 [0,1,0,0,0,0|2,0,1]=4 292 B6R0.3 CC(C)C(=O)C#N CNP0344819.0 [0,1,0,0,0,0|1,0,1]=3 293 B6R0.3 CC(C)C(C)CO CNP0127606.0 [0,1,0,0,0,0|1,0,2]=4 294 B6R0.3 CC(C)C(N)C=O CNP0484074.0 [0,1,0,0,0,0|1,0,1]=3 295 B6R0.3 CC(C)C(N)C=O CNP0491546.0 [0,1,0,0,0,0|1,0,1]=3 296 B6R0.3 CC(C)C(N)C=O CNP0498484.0 [0,1,0,0,0,0|1,0,1]=3 297 B6R0.3 CC(C)[C@@H](N)CO CNP0177308.2 [0,1,0,0,0,0|1,0,2]=4 298 B6R0.3 CC(C)[C@@H](O)C#N CNP0164289.1 [0,1,0,0,0,0|1,0,2]=4 299 B6R0.3 CC(C)[C@@H](S)CO CNP0191310.1 [0,1,0,0,0,0|1,0,2]=4 300 B6R0.3 CC(C)[C@H](N)CO CNP0177308.1 [0,1,0,0,0,0|1,0,2]=4 301 B6R0.3 CC(O)C(=O)CO CNP0185354.0 [0,1,0,0,0,0|2,0,1]=4 302 B6R0.3 CC=C(C)C(=O)C CNP0119709.0 [0,1,0,0,0,0|1,0,1]=3 303 B6R0.3 CC=C(C)C(=O)N CNP0399229.0 [0,1,0,0,0,0|2,0,1]=4 304 B6R0.3 CC=C(C)C(=O)O CNP0238363.0 [0,1,0,0,0,0|2,0,1]=4 305 B6R0.3 CC=C(N)C(=O)O CNP0146934.0 [0,1,0,0,0,0|2,0,1]=4 306 B6R0.3 CCC(=C(C)C)C CNP0076862.0 [0,1,0,0,0,0|0,0,2]=3 307 B6R0.3 CCC(=O)C(=O)C CNP0311036.0 [0,1,0,0,0,0|1,0,2]=4 308 B6R0.3 CCC(=O)C(C)C CNP0169958.0 [0,1,0,0,0,0|0,0,1]=2 309 B6R0.3 CCC(=O)C(C)S CNP0003027.0 [0,1,0,0,0,0|1,0,1]=3 310 B6R0.3 CCC(=O)N(C)C CNP0205998.0 [0,1,0,0,0,0|1,0,1]=3 311 B6R0.3 CCC(=O)[C@H](C)N CNP0316941.1 [0,1,0,0,0,0|1,0,1]=3 312 B6R0.3 CCC(=O)[C@H](C)O CNP0287252.1 [0,1,0,0,0,0|1,0,1]=3 313 B6R0.3 CCC(O)C(C)C CNP0265736.0 [0,1,0,0,0,0|0,0,2]=3 314 B6R0.3 CCC(O)C(C)O CNP0519497.0 [0,1,0,0,0,0|1,0,2]=4 315 B6R0.3 CCC(S)C(C)C CNP0611989.0 [0,1,0,0,0,0|0,0,2]=3 316 B6R0.3 CC[C@@H](C)[C@@H](C)O CNP0061619.1 [0,1,0,0,0,0|1,0,2]=4 317 B6R0.3 CC[C@H](C)C(C)C CNP0304167.1 [0,1,0,0,0,0|0,0,2]=3 318 B6R0.3 CC[C@H](C)[C@@H](C)O CNP0061619.2 [0,1,0,0,0,0|1,0,2]=4 319 B6R0.3 CN(C)C(=O)NO CNP0145831.0 [0,1,0,0,0,0|3,0,0]=4 320 B6R0.3 CN(C)C(=S)S[Na] CNP0002679.0 [0,1,0,0,0,0|3,0,0]=4 321 B6R0.3 CNC(=O)N(C)C CNP0499080.0 [0,1,0,0,0,0|2,0,0]=3 322 B6R0.3 CNC(=S)N(C)C CNP0368290.0 [0,1,0,0,0,0|2,0,0]=3 323 B6R0.3 COC(=O)C(=O)C CNP0301085.0 [0,1,0,0,0,0|2,0,1]=4 324 B6R0.3 COC(=O)C(Br)Br CNP0192713.0 [0,1,0,0,0,0|3,0,0]=4 325 B6R0.3 COC(=O)C(C)C CNP0354997.0 [0,1,0,0,0,0|1,0,0]=2 326 B6R0.3 COC(=O)[C@@H](C)N CNP0396122.3 [0,1,0,0,0,0|2,0,0]=3 327 B6R0.3 COC(=O)[C@@H](C)O CNP0238296.2 [0,1,0,0,0,0|2,0,0]=3 328 B6R0.3 COC(=O)[C@@H](N)O CNP0142697.1 [0,1,0,0,0,0|3,0,0]=4 329 B6R0.3 COC(=O)[C@H](C)N CNP0396122.2 [0,1,0,0,0,0|2,0,0]=3 330 B6R0.3 COC(=O)[C@H](C)O CNP0238296.1 [0,1,0,0,0,0|2,0,0]=3 331 B6R0.3 COC(=S)C(C)C CNP0507266.0 [0,1,0,0,0,0|1,0,0]=2 332 B6R0.3 CSC(C)C(C)C CNP0245218.0 [0,1,0,0,0,0|1,0,1]=3 333 B6R0.3 C[C@@H](O)[C@H](N)C=O CNP0119001.1 [0,1,0,0,0,0|2,0,1]=4 334 B6R0.4 C/C=C/S[S@@+](C)[O-] CNP0519070.2 [0,1,0,0,0,0|2,0,0]=3 335 B6R0.4 C/C=C/S[S@@H+](C)[O-] CNP0550380.1 [0,1,0,0,0,0|2,0,0]=3 336 B6R0.4 C/C=C\S[S@@+](C)[O-] CNP0519070.1 [0,1,0,0,0,0|2,0,0]=3 337 B6R0.4 C/C=C\S[S@@H+](C)[O-] CNP0550380.2 [0,1,0,0,0,0|2,0,0]=3 338 B6R0.4 C=CCCC(C)O CNP0519217.0 [0,1,0,0,0,0|1,0,2]=4 339 B6R0.4 C=CCSC(C)C CNP0309084.0 [0,1,0,0,0,0|0,0,2]=3 340 B6R0.4 CC(=CCC=O)C CNP0094675.0 [0,1,0,0,0,0|1,0,1]=3 341 B6R0.4 CC(=CCCN)C CNP0568876.0 [0,1,0,0,0,0|0,0,2]=3 342 B6R0.4 CC(=CCCO)C CNP0410779.0 [0,1,0,0,0,0|0,0,2]=3 343 B6R0.4 CC(C)C=CC=O CNP0003528.0 [0,1,0,0,0,0|0,0,1]=2 344 B6R0.4 CC(C)CC#CO CNP0482838.0 [0,1,0,0,0,0|0,0,3]=4 345 B6R0.4 CC(C)CC=NO CNP0235743.0 [0,1,0,0,0,0|1,0,1]=3 346 B6R0.4 CC(C)CCC#N CNP0386277.0 [0,1,0,0,0,0|0,0,3]=4 347 B6R0.4 CC(C)CCC=O CNP0198082.0 [0,1,0,0,0,0|1,0,1]=3 348 B6R0.4 CC(C)CCCO CNP0344466.0 [0,1,0,0,0,0|0,0,2]=3 349 B6R0.4 CC(C)CN=C=S CNP0414473.0 [0,1,0,0,0,0|1,0,2]=4 350 B6R0.4 CC(C)CNC=O CNP0473867.0 [0,1,0,0,0,0|1,0,1]=3 351 B6R0.4 CC(C)COC=O CNP0232692.0 [0,1,0,0,0,0|1,0,1]=3 352 B6R0.4 CC(C)CON=O CNP0224607.0 [0,1,0,0,0,0|2,0,1]=4 353 B6R0.4 CC(C)CSC#N CNP0268195.0 [0,1,0,0,0,0|1,0,2]=4 354 B6R0.4 CC(C)NCCN CNP0082470.0 [0,1,0,0,0,0|1,0,1]=3 355 B6R0.4 CC(C)NCCO CNP0141461.0 [0,1,0,0,0,0|1,0,1]=3 356 B6R0.4 CC(C)OCCO CNP0079907.0 [0,1,0,0,0,0|1,0,1]=3 357 B6R0.4 CC=CC=C(C)C CNP0318303.0 [0,1,0,0,0,0|0,0,1]=2 358 B6R0.4 CC=CCC(=O)O CNP0610144.0 [0,1,0,0,0,0|2,0,1]=4 359 B6R0.4 CC=CCC(C)C CNP0081831.0 [0,1,0,0,0,0|0,0,0]=1 360 B6R0.4 CC=CCC(C)O CNP0217280.0 [0,1,0,0,0,0|1,0,0]=2 361 B6R0.4 CC=CCS(=S)O CNP0514093.0 [0,1,0,0,0,0|3,0,0]=4 362 B6R0.4 CCC=CC(=O)C CNP0129352.0 [0,1,0,0,0,0|1,0,1]=3 363 B6R0.4 CCC=CC(=O)O CNP0185292.0 [0,1,0,0,0,0|2,0,1]=4 364 B6R0.4 CCCC=C(C)O CNP0268446.0 [0,1,0,0,0,0|1,0,2]=4 365 B6R0.4 CCCCC(C)C CNP0312749.0 [0,1,0,0,0,0|0,0,2]=3 366 B6R0.4 CCCC[C@@H](C)O CNP0276755.1 [0,1,0,0,0,0|1,0,2]=4 367 B6R0.4 CCCC[C@H](C)O CNP0276755.2 [0,1,0,0,0,0|1,0,2]=4 368 B6R0.4 CCCSC(C)C CNP0228244.0 [0,1,0,0,0,0|0,0,2]=3 369 B6R0.4 CCCSC(C)S CNP0609747.0 [0,1,0,0,0,0|1,0,2]=4 370 B6R0.4 CCNCC(C)C CNP0165310.0 [0,1,0,0,0,0|0,0,2]=3 371 B6R0.4 CCOC[C@@H](C)O CNP0076159.1 [0,1,0,0,0,0|1,0,2]=4 372 B6R0.4 CCSCC(C)C CNP0208462.0 [0,1,0,0,0,0|0,0,2]=3 373 B6R0.4 CCSSC(C)C CNP0003135.0 [0,1,0,0,0,0|1,0,1]=3 374 B6R0.4 CNCCC(C)C CNP0254439.0 [0,1,0,0,0,0|0,0,2]=3 375 B6R0.4 COCC=C(C)C CNP0493784.0 [0,1,0,0,0,0|0,0,2]=3 376 B6R0.4 COCCC(C)C CNP0316382.0 [0,1,0,0,0,0|0,0,2]=3 377 B6R0.4 COCCN(C)C CNP0429553.0 [0,1,0,0,0,0|1,0,2]=4 378 B6R0.4 CSC=CC(=O)N CNP0140289.0 [0,1,0,0,0,0|2,0,1]=4 379 B6R0.4 CSC=CC(=O)O CNP0140653.0 [0,1,0,0,0,0|2,0,1]=4 380 B6R0.4 CSCC[C@@H](C)O CNP0206291.1 [0,1,0,0,0,0|1,0,2]=4 381 B6R0.4 C[S+](C)CCC=O CNP0136791.0 [0,1,0,0,0,0|2,0,1]=4 382 B6R0.4 C[S@+]([O-])/C=C/CO CNP0531356.1 [0,1,0,0,0,0|2,0,0]=3 383 B6R0.4 C[S@@+]([O-])/C=C/CO CNP0531356.2 [0,1,0,0,0,0|2,0,0]=3 384 B6R0.4 C[S@H+]([O-])/C=C/CO CNP0529781.1 [0,1,0,0,0,0|2,0,0]=3 385 B6R0.4 NCC=CC(=O)O CNP0250683.0 [0,1,0,0,0,0|2,0,1]=4 386 B6R0.4 O=C(O)C=CCO CNP0097506.0 [0,1,0,0,0,0|2,0,1]=4 387 B6R0.5 CC(C)(C)OC=O CNP0495948.0 [0,1,0,0,0,0|2,0,0]=3 388 B6R0.5 CC(C)(O)CNCl CNP0247437.0 [0,1,0,0,0,0|2,0,1]=4 389 B6R0.5 CC(C)(S)CCO CNP0215542.0 [0,1,0,0,0,0|1,0,2]=4 390 B6R0.5 CC=CC(C)(C)C CNP0120515.0 [0,1,0,0,0,0|0,0,0]=1 391 B6R0.5 CCCC(C)(C)C CNP0308764.0 [0,1,0,0,0,0|0,0,2]=3 392 B6R0.5 CCCC(C)(C)O CNP0258393.0 [0,1,0,0,0,0|0,0,2]=3 393 B6R0.5 CCC[N+](C)(C)C CNP0523784.0 [0,1,0,0,0,0|1,0,2]=4 394 B6R0.5 CCOC(C)(C)C CNP0285210.0 [0,1,0,0,0,0|1,0,1]=3 395 B6R0.5 CCSC(C)(C)C CNP0186557.0 [0,1,0,0,0,0|1,0,1]=3 396 B6R0.5 C[N+](C)(C)C=C[O-] CNP0493805.0 [0,1,0,0,0,0|2,0,0]=3 397 B6R0.5 C[N+](C)(C)CC=O CNP0578871.0 [0,1,0,0,0,0|2,0,1]=4 398 B6R1.2 C=C1C=CCC1 CNP0269204.0 [0,0,0,1,0,0|0,0,2]=3 399 B6R1.2 CC1=CC=CN1 CNP0003130.0 [0,0,0,1,0,0|1,0,2]=4 400 B6R1.2 CC1=CC=CO1 CNP0204821.0 [0,0,0,1,0,0|1,0,2]=4 401 B6R1.2 CC1=CC=CS1 CNP0308280.0 [0,0,0,1,0,0|1,0,2]=4 402 B6R1.2 CC1=CCCC1 CNP0610106.0 [0,0,0,1,0,0|0,0,2]=3 403 B6R1.2 CC1=CCCS1 CNP0003101.0 [0,0,0,1,0,0|1,0,2]=4 404 B6R1.2 CC1=CCOC1 CNP0516552.0 [0,0,0,1,0,0|1,0,2]=4 405 B6R1.2 CC1=CNC=C1 CNP0578230.0 [0,0,0,1,0,0|1,0,2]=4 406 B6R1.2 CC1=COC=C1 CNP0401605.0 [0,0,0,1,0,0|1,0,2]=4 407 B6R1.2 CC1=COCC1 CNP0002470.0 [0,0,0,1,0,0|1,0,1]=3 408 B6R1.2 CC1=CSC=C1 CNP0153726.0 [0,0,0,1,0,0|1,0,2]=4 409 B6R1.2 CC1=CSSC1 CNP0310441.0 [0,0,0,1,0,0|2,0,1]=4 410 B6R1.2 CC1C=COC1 CNP0165220.0 [0,0,0,1,0,0|1,0,0]=2 411 B6R1.2 CC1CC=CS1 CNP0249135.0 [0,0,0,1,0,0|1,0,1]=3 412 B6R1.2 CC1CCCC1 CNP0194612.0 [0,0,0,1,0,0|0,0,2]=3 413 B6R1.2 CC1CCCO1 CNP0502439.0 [0,0,0,1,0,0|1,0,1]=3 414 B6R1.2 CC1OCCO1 CNP0611683.0 [0,0,0,1,0,0|2,0,1]=4 415 B6R1.2 CC1SCCS1 CNP0002932.0 [0,0,0,1,0,0|2,0,1]=4 416 B6R1.2 CN1C=CC=C1 CNP0084622.0 [0,0,0,1,0,0|1,0,2]=4 417 B6R1.2 CN1C=CN=C1 CNP0492624.0 [0,0,0,1,0,0|2,0,1]=4 418 B6R1.2 CN1CC=CC1 CNP0257888.0 [0,0,0,1,0,0|1,0,2]=4 419 B6R1.2 CN1CCCC1 CNP0395436.0 [0,0,0,1,0,0|1,0,2]=4 420 B6R1.2 C[C@@H]1C=CNC1 CNP0309884.1 [0,0,0,1,0,0|1,0,0]=2 421 B6R1.2 C[C@@H]1C=CSS1 CNP0139337.1 [0,0,0,1,0,0|2,0,0]=3 422 B6R1.2 C[C@@H]1CCCN1 CNP0080827.1 [0,0,0,1,0,0|1,0,1]=3 423 B6R1.2 C[C@@H]1CCSC1 CNP0174337.1 [0,0,0,1,0,0|1,0,1]=3 424 B6R1.2 C[C@H]1C=CSS1 CNP0139337.2 [0,0,0,1,0,0|2,0,0]=3 425 B6R1.2 C[C@H]1NCCS1 CNP0150573.1 [0,0,0,1,0,0|2,0,1]=4 426 B6R1.2 C[N+]1=CCCC1 CNP0251573.0 [0,0,0,1,0,0|1,0,1]=3 427 B6R1.2 O=C1C=CCC1 CNP0122561.0 [0,0,0,1,0,0|1,0,1]=3 428 B6R1.2 O=C1C=CCO1 CNP0253714.0 [0,0,0,1,0,0|2,0,1]=4 429 B6R1.2 OC1CCCC1 CNP0085994.0 [0,0,0,1,0,0|1,0,2]=4 430 B6R1.2 SC1CCCC1 CNP0280825.0 [0,0,0,1,0,0|1,0,2]=4 431 B6R1.2 SC1CCCS1 CNP0002503.0 [0,0,0,1,0,0|2,0,1]=4 432 B6R1.2 [O-][N+]1=CCCC1 CNP0558986.0 [0,0,0,1,0,0|2,0,1]=4 433 B6R1.3 CCCC1CC1 CNP0506060.0 [0,0,0,1,0,0|0,0,2]=3 434 B6R1.3 S=C=NC1CC1 CNP0158262.0 [0,0,0,1,0,0|2,0,1]=4 435 B6R1.5 C[C@H]1CC(=O)O1 CNP0232064.1 [0,0,0,1,0,0|2,0,0]=3 436 B6R1.5 O=C1C[C@@H](O1)O CNP0300715.1 [0,0,0,1,0,0|3,0,0]=4 437 B6R1.8 CC[C@@H]1C[C@@H]1C CNP0076250.1 [0,0,0,1,0,0|0,0,2]=3 438 B6R1.9 CC1CC1(C)C CNP0507743.0 [0,0,0,1,0,0|0,0,2]=3 439 B6R1.10 CC1(CCO1)C CNP0252865.0 [0,0,0,1,0,0|1,0,1]=3 440 B6R1.10 CC1(CCS1)C CNP0181332.0 [0,0,0,1,0,0|1,0,1]=3 441 B3R0.1 C#CCC CNP0509561.0 [2,0,0,0,0,0|0,0,2]=4 442 B3R0.1 C#[N+]CC CNP0559170.0 [2,0,0,0,0,0|1,0,1]=4 443 B3R0.1 C=C=CC CNP0584937.0 [2,0,0,0,0,0|0,0,2]=4 444 B3R0.1 C=CC#N CNP0580732.0 [2,0,0,0,0,0|1,0,1]=4 445 B3R0.1 C=CC=C CNP0574781.0 [2,0,0,0,0,0|0,0,2]=4 446 B3R0.1 C=CC=O CNP0603221.0 [2,0,0,0,0,0|1,0,1]=4 447 B3R0.1 C=CC=S CNP0501678.0 [2,0,0,0,0,0|1,0,1]=4 448 B3R0.1 C=CCC CNP0490956.0 [2,0,0,0,0,0|0,0,0]=2 449 B3R0.1 C=CCN CNP0585503.0 [2,0,0,0,0,0|1,0,0]=3 450 B3R0.1 C=CCO CNP0561492.0 [2,0,0,0,0,0|1,0,0]=3 451 B3R0.1 C=CCS CNP0575677.0 [2,0,0,0,0,0|1,0,0]=3 452 B3R0.1 C=COC CNP0611794.0 [2,0,0,0,0,0|1,0,0]=3 453 B3R0.1 CC#CC CNP0556029.0 [2,0,0,0,0,0|0,0,2]=4 454 B3R0.1 CC=CBr CNP0509639.0 [2,0,0,0,0,0|1,0,0]=3 455 B3R0.1 CC=CC CNP0597271.0 [2,0,0,0,0,0|0,0,0]=2 456 B3R0.1 CC=CS CNP0589530.0 [2,0,0,0,0,0|1,0,0]=3 457 B3R0.1 CC=NO CNP0512137.0 [2,0,0,0,0,0|2,0,0]=4 458 B3R0.1 CC=[N+]=[N-] CNP0532727.0 [2,0,0,0,0,0|2,0,0]=4 459 B3R0.1 CCC#N CNP0564998.0 [2,0,0,0,0,0|1,0,1]=4 460 B3R0.1 CCC=O CNP0570013.0 [2,0,0,0,0,0|1,0,0]=3 461 B3R0.1 CCC=S CNP0546828.0 [2,0,0,0,0,0|1,0,0]=3 462 B3R0.1 CCCBr CNP0561445.0 [2,0,0,0,0,0|1,0,1]=4 463 B3R0.1 CCCC CNP0597736.0 [2,0,0,0,0,0|0,0,1]=3 464 B3R0.1 CCCI CNP0596010.0 [2,0,0,0,0,0|1,0,1]=4 465 B3R0.1 CCCN CNP0600530.0 [2,0,0,0,0,0|1,0,1]=4 466 B3R0.1 CCCO CNP0605151.0 [2,0,0,0,0,0|1,0,1]=4 467 B3R0.1 CCCS CNP0572992.0 [2,0,0,0,0,0|1,0,1]=4 468 B3R0.1 CCN=O CNP0552947.0 [2,0,0,0,0,0|2,0,0]=4 469 B3R0.1 CCNC CNP0563252.0 [2,0,0,0,0,0|1,0,0]=3 470 B3R0.1 CCOC CNP0484105.0 [2,0,0,0,0,0|1,0,0]=3 471 B3R0.1 CCOO CNP0591807.0 [2,0,0,0,0,0|2,0,0]=4 472 B3R0.1 CCSC CNP0596541.0 [2,0,0,0,0,0|1,0,0]=3 473 B3R0.1 CCSO CNP0559716.0 [2,0,0,0,0,0|2,0,0]=4 474 B3R0.1 CNC=O CNP0565671.0 [2,0,0,0,0,0|2,0,0]=4 475 B3R0.1 CNNC CNP0493834.0 [2,0,0,0,0,0|2,0,0]=4 476 B3R0.1 COC=O CNP0494242.0 [2,0,0,0,0,0|2,0,0]=4 477 B3R0.1 COOC CNP0610139.0 [2,0,0,0,0,0|2,0,0]=4 478 B3R0.1 CSSC CNP0600942.0 [2,0,0,0,0,0|2,0,0]=4 479 B3R0.1 C[Se][Se]C CNP0508246.0 [2,0,0,0,0,0|2,0,0]=4 480 B3R0.1 ClC=CCl CNP0610334.0 [2,0,0,0,0,0|2,0,0]=4 481 B3R0.1 N=CCN CNP0547283.0 [2,0,0,0,0,0|2,0,0]=4 482 B3R0.1 NC=CS CNP0577276.0 [2,0,0,0,0,0|2,0,0]=4 483 B3R0.1 NCC=O CNP0566697.0 [2,0,0,0,0,0|2,0,0]=4 484 B3R0.1 O=CC=O CNP0605189.0 [2,0,0,0,0,0|2,0,0]=4 485 B3R0.1 O=CCBr CNP0516788.0 [2,0,0,0,0,0|2,0,0]=4 486 B3R0.1 O=CCO CNP0600524.0 [2,0,0,0,0,0|2,0,0]=4 487 B3R0.1 O=CCS CNP0591045.0 [2,0,0,0,0,0|2,0,0]=4 488 B3R0.1 OC=CO CNP0508859.0 [2,0,0,0,0,0|2,0,0]=4 489 B3R0.2 C=C(C)C CNP0512482.0 [2,0,0,0,0,0|0,0,1]=3 490 B3R0.2 C=C(C)O CNP0514997.0 [2,0,0,0,0,0|1,0,1]=4 491 B3R0.2 CC(=O)C CNP0572494.0 [2,0,0,0,0,0|1,0,1]=4 492 B3R0.2 CC(C)C CNP0580677.0 [2,0,0,0,0,0|0,0,0]=2 493 B3R0.2 CC(C)I CNP0515098.0 [2,0,0,0,0,0|1,0,0]=3 494 B3R0.2 CC(C)N CNP0574231.0 [2,0,0,0,0,0|1,0,0]=3 495 B3R0.2 CC(C)O CNP0603430.0 [2,0,0,0,0,0|1,0,0]=3 496 B3R0.2 CC(C)S CNP0483016.0 [2,0,0,0,0,0|1,0,0]=3 497 B3R0.2 CN(C)C CNP0522907.0 [2,0,0,0,0,0|1,0,0]=3 498 B3R0.2 CN(C)N CNP0573264.0 [2,0,0,0,0,0|2,0,0]=4 499 B3R0.2 CP(C)C CNP0586622.0 [2,0,0,0,0,0|1,0,0]=3 500 B3R0.2 C[As](C)C CNP0539997.0 [2,0,0,0,0,0|1,0,0]=3 501 B3R0.2 C[As](C)O CNP0541907.0 [2,0,0,0,0,0|2,0,0]=4 502 B3R0.2 C[S+](C)C CNP0555694.0 [2,0,0,0,0,0|1,0,0]=3 503 B3R0.2 C[S+](C)[O-] CNP0499675.0 [2,0,0,0,0,0|2,0,0]=4 504 B3R0.2 C[Se+](C)C CNP0504179.0 [2,0,0,0,0,0|1,0,0]=3 505 B3R0.2 C[SeH2](=[Se])C CNP0610734.0 [2,0,0,0,0,0|2,0,0]=4 506 B3R0.2 C[SeH](C)[SeH] CNP0608908.0 [2,0,0,0,0,0|2,0,0]=4 507 B3R0.2 [CH2]C(C)C CNP0571096.0 [2,0,0,0,0,0|0,0,1]=3 508 B5R0.3 C=CC(=CC)C CNP0134384.0 [1,1,0,0,0,0|0,0,1]=3 509 B5R0.3 C=CC(=O)CC CNP0362181.0 [1,1,0,0,0,0|1,0,1]=4 510 B5R0.3 C=CC(=O)OC CNP0217866.0 [1,1,0,0,0,0|1,0,1]=4 511 B5R0.3 C=C[C@@H](O)C#N CNP0141220.1 [1,1,0,0,0,0|1,0,1]=4 512 B5R0.3 C=C[C@@H](O)CC CNP0331558.1 [1,1,0,0,0,0|1,0,0]=3 513 B5R0.3 C=C[C@H](C)CO CNP0600503.1 [1,1,0,0,0,0|0,0,0]=2 514 B5R0.3 C=C[C@H](O)C#N CNP0141220.2 [1,1,0,0,0,0|1,0,1]=4 515 B5R0.3 C=C[C@H](O)CC CNP0331558.2 [1,1,0,0,0,0|1,0,0]=3 516 B5R0.3 CC(CO)CO CNP0282467.0 [1,1,0,0,0,0|1,0,1]=4 517 B5R0.3 CC=C(C)C=O CNP0281160.0 [1,1,0,0,0,0|0,0,2]=4 518 B5R0.3 CC=C(C)CC CNP0247687.0 [1,1,0,0,0,0|0,0,1]=3 519 B5R0.3 CC=C(C)CO CNP0120418.0 [1,1,0,0,0,0|0,0,1]=3 520 B5R0.3 CCC(=CS)C CNP0025997.0 [1,1,0,0,0,0|1,0,1]=4 521 B5R0.3 CCC(C)CC CNP0316485.0 [1,1,0,0,0,0|0,0,1]=3 522 B5R0.3 CCC(C)CS CNP0003009.0 [1,1,0,0,0,0|0,0,1]=3 523 B5R0.3 CCC(N)CC CNP0103985.0 [1,1,0,0,0,0|1,0,1]=4 524 B5R0.3 CCC(N)NC CNP0278870.0 [1,1,0,0,0,0|1,0,1]=4 525 B5R0.3 CCC(O)CC CNP0293075.0 [1,1,0,0,0,0|1,0,1]=4 526 B5R0.3 CCC(O)CCl CNP0366953.0 [1,1,0,0,0,0|1,0,1]=4 527 B5R0.3 CCC(O)CO CNP0534149.0 [1,1,0,0,0,0|1,0,1]=4 528 B5R0.3 CCC(S)CS CNP0197461.0 [1,1,0,0,0,0|1,0,1]=4 529 B5R0.3 CCC(S)SC CNP0609154.0 [1,1,0,0,0,0|1,0,1]=4 530 B5R0.3 CC[C@@H](C)C=O CNP0220551.2 [1,1,0,0,0,0|1,0,0]=3 531 B5R0.3 CC[C@@H](C)CO CNP0185673.1 [1,1,0,0,0,0|0,0,1]=3 532 B5R0.3 CC[C@H](C)C#N CNP0343114.1 [1,1,0,0,0,0|0,0,2]=4 533 B5R0.3 CC[C@H](C)C=O CNP0220551.1 [1,1,0,0,0,0|1,0,0]=3 534 B5R0.3 CC[C@H](C)CN CNP0233909.1 [1,1,0,0,0,0|0,0,1]=3 535 B5R0.3 CC[C@H](C)CO CNP0185673.2 [1,1,0,0,0,0|0,0,1]=3 536 B5R0.3 CC[C@H](C)NC CNP0236959.1 [1,1,0,0,0,0|0,0,1]=3 537 B5R0.3 CC[S+](C)CC CNP0038064.0 [1,1,0,0,0,0|1,0,1]=4 538 B5R0.3 CC[S](C)CC CNP0523180.0 [1,1,0,0,0,0|1,0,1]=4 539 B5R0.3 CN(C=O)CO CNP0412364.0 [1,1,0,0,0,0|2,0,0]=4 540 B5R0.3 COC(C)CO CNP0485411.0 [1,1,0,0,0,0|1,0,0]=3 541 B5R0.3 COC(C)OC CNP0122626.0 [1,1,0,0,0,0|1,0,0]=3 542 B5R0.3 CSC(C)SC CNP0610569.0 [1,1,0,0,0,0|1,0,0]=3 543 B5R0.3 O=C[C@H](O)CO CNP0359959.1 [1,1,0,0,0,0|2,0,0]=4 544 B5R0.4 C#CC(C)(C)O CNP0277501.0 [1,1,0,0,0,0|0,0,2]=4 545 B5R0.4 C=CC(C)(C)O CNP0337361.0 [1,1,0,0,0,0|0,0,0]=2 546 B5R0.4 C=C[N+](C)(C)C CNP0076784.0 [1,1,0,0,0,0|1,0,0]=3 547 B5R0.4 C=C[N+](C)(C)C CNP0591850.0 [1,1,0,0,0,0|1,0,0]=3 548 B5R0.4 CC(C)(C)C=O CNP0320383.0 [1,1,0,0,0,0|1,0,0]=3 549 B5R0.4 CC(C)(C)N=O CNP0030824.0 [1,1,0,0,0,0|2,0,0]=4 550 B5R0.4 CC(C)(C)OO CNP0609042.0 [1,1,0,0,0,0|2,0,0]=4 551 B5R0.4 CC(C)(O)C#N CNP0157587.0 [1,1,0,0,0,0|1,0,1]=4 552 B5R0.4 CC(C)(O)C=O CNP0300882.0 [1,1,0,0,0,0|1,0,0]=3 553 B5R0.4 CC(C)(O)CN CNP0332905.0 [1,1,0,0,0,0|1,0,1]=4 554 B5R0.4 CC(C)(O)CO CNP0307478.0 [1,1,0,0,0,0|1,0,1]=4 555 B5R0.4 CC(C)(S)CS CNP0258725.0 [1,1,0,0,0,0|1,0,1]=4 556 B5R0.4 CCC(C)(C)C CNP0113159.0 [1,1,0,0,0,0|0,0,1]=3 557 B5R0.4 CCC(C)(C)I CNP0076730.0 [1,1,0,0,0,0|0,0,1]=3 558 B5R0.4 CCC(C)(C)N CNP0083061.0 [1,1,0,0,0,0|0,0,1]=3 559 B5R0.4 CCC(C)(C)O CNP0239239.0 [1,1,0,0,0,0|0,0,1]=3 560 B5R0.4 CC[Si](C)(C)C CNP0572818.0 [1,1,0,0,0,0|0,1,1]=4 561 B5R0.4 COC(C)(C)C CNP0379426.0 [1,1,0,0,0,0|1,0,0]=3 562 B5R0.4 CO[As](=O)(C)C CNP0017834.0 [1,1,0,0,0,0|2,0,0]=4 563 B5R0.5 C=C(C)C(=C)C CNP0186706.0 [1,1,0,0,0,0|0,0,2]=4 564 B5R0.5 C=C(C)C(=O)C CNP0137327.0 [1,1,0,0,0,0|0,0,2]=4 565 B5R0.5 C=C(C)[C@@H](C)O CNP0221154.1 [1,1,0,0,0,0|1,0,0]=3 566 B5R0.5 C=C(C)[C@H](C)O CNP0221154.2 [1,1,0,0,0,0|1,0,0]=3 567 B5R0.5 C=C(O)C(C)C CNP0150035.0 [1,1,0,0,0,0|0,0,0]=2 568 B5R0.5 CC(=C(C)C)C CNP0192659.0 [1,1,0,0,0,0|0,0,1]=3 569 B5R0.5 CC(=C(C)O)C CNP0164530.0 [1,1,0,0,0,0|0,0,1]=3 570 B5R0.5 CC(=O)C(=O)C CNP0153215.0 [1,1,0,0,0,0|1,0,1]=4 571 B5R0.5 CC(=O)C(Br)Br CNP0186139.0 [1,1,0,0,0,0|2,0,0]=4 572 B5R0.5 CC(=O)C(C)C CNP0209504.0 [1,1,0,0,0,0|0,0,0]=2 573 B5R0.5 CC(=O)C(C)S CNP0409589.0 [1,1,0,0,0,0|1,0,0]=3 574 B5R0.5 CC(=O)C(O)O CNP0547141.0 [1,1,0,0,0,0|2,0,0]=4 575 B5R0.5 CC(=O)N(C)C CNP0083052.0 [1,1,0,0,0,0|1,0,0]=3 576 B5R0.5 CC(=O)[C@@H](C)O CNP0395416.2 [1,1,0,0,0,0|1,0,0]=3 577 B5R0.5 CC(=O)[C@H](C)O CNP0395416.1 [1,1,0,0,0,0|1,0,0]=3 578 B5R0.5 CC(C)C(=O)Cl CNP0337045.0 [1,1,0,0,0,0|1,0,0]=3 579 B5R0.5 CC(C)C(=O)N CNP0226996.0 [1,1,0,0,0,0|1,0,0]=3 580 B5R0.5 CC(C)C(=O)O CNP0197560.0 [1,1,0,0,0,0|1,0,0]=3 581 B5R0.5 CC(C)C(C)C CNP0183010.0 [1,1,0,0,0,0|0,0,1]=3 582 B5R0.5 CC(C)N(C)C CNP0419243.0 [1,1,0,0,0,0|1,0,0]=3 583 B5R0.5 CC(C)[C@@H](C)N CNP0573557.1 [1,1,0,0,0,0|0,0,1]=3 584 B5R0.5 CC(C)[C@@H](C)O CNP0315380.1 [1,1,0,0,0,0|0,0,1]=3 585 B5R0.5 CC(C)[C@@H](C)S CNP0316317.1 [1,1,0,0,0,0|0,0,1]=3 586 B5R0.5 CC(C)[C@H](C)O CNP0315380.2 [1,1,0,0,0,0|0,0,1]=3 587 B5R0.5 CC(C)[N+](=O)[O-] CNP0587963.0 [1,1,0,0,0,0|2,0,0]=4 588 B5R0.5 CC(O)C(=O)[O-] CNP0519619.0 [1,1,0,0,0,0|2,0,0]=4 589 B5R0.5 CC(O)C(=O)[O-] CNP0556254.0 [1,1,0,0,0,0|2,0,0]=4 590 B5R0.5 CC(O)C(=O)[O-] CNP0561690.0 [1,1,0,0,0,0|2,0,0]=4 591 B5R0.5 CC(O)C(=O)[O-] CNP0579849.0 [1,1,0,0,0,0|2,0,0]=4 592 B5R0.5 CC(O)C(=O)[O-] CNP0592207.0 [1,1,0,0,0,0|2,0,0]=4 593 B5R0.5 CC(O)C(C)S CNP0002511.0 [1,1,0,0,0,0|1,0,1]=4 594 B5R0.5 CC(S)C(C)S CNP0003531.0 [1,1,0,0,0,0|1,0,1]=4 595 B5R0.5 CN(C)C(=N)N CNP0155822.0 [1,1,0,0,0,0|2,0,0]=4 596 B5R0.5 CN(C)C(=S)S CNP0033815.0 [1,1,0,0,0,0|2,0,0]=4 597 B5R0.5 C[C@@H](N)C(=O)O CNP0313085.2 [1,1,0,0,0,0|2,0,0]=4 598 B5R0.5 C[C@@H](O)C(=O)O CNP0232038.2 [1,1,0,0,0,0|2,0,0]=4 599 B5R0.5 C[C@@H](O)[C@@H](C)O CNP0115674.2 [1,1,0,0,0,0|1,0,1]=4 600 B5R0.5 C[C@H](N)C(=O)O CNP0313085.1 [1,1,0,0,0,0|2,0,0]=4 601 B5R0.5 C[C@H](O)C(=O)O CNP0232038.1 [1,1,0,0,0,0|2,0,0]=4 602 B5R0.5 C[C@H](O)[C@@H](C)O CNP0115674.1 [1,1,0,0,0,0|1,0,1]=4 603 B5R0.5 C[C@H](O)[C@H](C)O CNP0115674.3 [1,1,0,0,0,0|1,0,1]=4 604 B5R0.5 C[C@H](S)C(=O)O CNP0223404.1 [1,1,0,0,0,0|2,0,0]=4 605 B5R0.2 C=CC=CCC CNP0495438.0 [1,1,0,0,0,0|0,0,1]=3 606 B5R0.2 C=CCC=CC CNP0292090.0 [1,1,0,0,0,0|0,0,1]=3 607 B5R0.2 C=CCCCC CNP0264947.0 [1,1,0,0,0,0|0,0,2]=4 608 B5R0.2 C=CCCCO CNP0003396.0 [1,1,0,0,0,0|0,0,2]=4 609 B5R0.2 C=CCSCC CNP0261096.0 [1,1,0,0,0,0|0,0,2]=4 610 B5R0.2 C=CSSCC CNP0003136.0 [1,1,0,0,0,0|1,0,1]=4 611 B5R0.2 CC#CCCO CNP0515871.0 [1,1,0,0,0,0|0,0,2]=4 612 B5R0.2 CC=C=CCO CNP0426440.0 [1,1,0,0,0,0|1,0,0]=3 613 B5R0.2 CC=C=COC CNP0519318.0 [1,1,0,0,0,0|1,0,0]=3 614 B5R0.2 CC=CC=CC CNP0611428.0 [1,1,0,0,0,0|0,0,1]=3 615 B5R0.2 CC=CCC#N CNP0080085.0 [1,1,0,0,0,0|0,0,1]=3 616 B5R0.2 CC=CCC=O CNP0167409.0 [1,1,0,0,0,0|0,0,1]=3 617 B5R0.2 CC=CCCC CNP0419577.0 [1,1,0,0,0,0|0,0,0]=2 618 B5R0.2 CC=CCCO CNP0253382.0 [1,1,0,0,0,0|0,0,0]=2 619 B5R0.2 CC=CSSC CNP0214071.0 [1,1,0,0,0,0|1,0,0]=3 620 B5R0.2 CCC#CCO CNP0076027.0 [1,1,0,0,0,0|0,0,2]=4 621 B5R0.2 CCC=CC#N CNP0080058.0 [1,1,0,0,0,0|0,0,1]=3 622 B5R0.2 CCC=CC=O CNP0328747.0 [1,1,0,0,0,0|0,0,1]=3 623 B5R0.2 CCC=CCO CNP0239009.0 [1,1,0,0,0,0|0,0,0]=2 624 B5R0.2 CCC=CSC CNP0068372.0 [1,1,0,0,0,0|0,0,0]=2 625 B5R0.2 CCC=CSO CNP0458289.0 [1,1,0,0,0,0|1,0,0]=3 626 B5R0.2 CCC=NNC CNP0543863.0 [1,1,0,0,0,0|1,0,0]=3 627 B5R0.2 CCCC=CO CNP0247153.0 [1,1,0,0,0,0|1,0,0]=3 628 B5R0.2 CCCC=NO CNP0071145.0 [1,1,0,0,0,0|1,0,1]=4 629 B5R0.2 CCCCC=O CNP0361186.0 [1,1,0,0,0,0|1,0,1]=4 630 B5R0.2 CCCCCBr CNP0018690.0 [1,1,0,0,0,0|0,0,2]=4 631 B5R0.2 CCCCCC CNP0269021.0 [1,1,0,0,0,0|0,0,2]=4 632 B5R0.2 CCCCCI CNP0017763.0 [1,1,0,0,0,0|0,0,2]=4 633 B5R0.2 CCCCCN CNP0203183.0 [1,1,0,0,0,0|0,0,2]=4 634 B5R0.2 CCCCCO CNP0244882.0 [1,1,0,0,0,0|0,0,2]=4 635 B5R0.2 CCCCCS CNP0260876.0 [1,1,0,0,0,0|0,0,2]=4 636 B5R0.2 CCCCNC CNP0277639.0 [1,1,0,0,0,0|0,0,2]=4 637 B5R0.2 CCCCOC CNP0609033.0 [1,1,0,0,0,0|0,0,2]=4 638 B5R0.2 CCCCSC CNP0562965.0 [1,1,0,0,0,0|0,0,2]=4 639 B5R0.2 CCCOC=O CNP0326097.0 [1,1,0,0,0,0|1,0,1]=4 640 B5R0.2 CCCSCC CNP0316215.0 [1,1,0,0,0,0|0,0,2]=4 641 B5R0.2 CCCSSC CNP0296815.0 [1,1,0,0,0,0|1,0,1]=4 642 B5R0.2 CCNCCN CNP0281269.0 [1,1,0,0,0,0|1,0,1]=4 643 B5R0.2 CCNCCO CNP0396370.0 [1,1,0,0,0,0|1,0,1]=4 644 B5R0.2 CCOCCO CNP0319988.0 [1,1,0,0,0,0|1,0,1]=4 645 B5R0.2 CCSCCN CNP0506731.0 [1,1,0,0,0,0|1,0,1]=4 646 B5R0.2 CCSSCC CNP0416624.0 [1,1,0,0,0,0|1,0,1]=4 647 B5R0.2 CCSSSC CNP0407481.0 [1,1,0,0,0,0|2,0,0]=4 648 B5R0.2 CNCCNC CNP0480039.0 [1,1,0,0,0,0|1,0,1]=4 649 B5R0.2 COC=COC CNP0416791.0 [1,1,0,0,0,0|1,0,0]=3 650 B5R0.2 COCCOC CNP0144142.0 [1,1,0,0,0,0|1,0,1]=4 651 B5R0.2 CSC=CSC CNP0075985.0 [1,1,0,0,0,0|1,0,0]=3 652 B5R0.2 CSCCC=O CNP0136743.0 [1,1,0,0,0,0|1,0,1]=4 653 B5R0.2 CSCCCN CNP0348726.0 [1,1,0,0,0,0|1,0,1]=4 654 B5R0.2 CSCCCO CNP0359993.0 [1,1,0,0,0,0|1,0,1]=4 655 B5R0.2 CSCSSC CNP0313036.0 [1,1,0,0,0,0|2,0,0]=4 656 B5R0.2 NCCCC=O CNP0359033.0 [1,1,0,0,0,0|1,0,1]=4 657 B5R0.2 O=CC=CCO CNP0112016.0 [1,1,0,0,0,0|1,0,1]=4 658 B5R0.2 OCC=CCO CNP0296138.0 [1,1,0,0,0,0|1,0,0]=3 659 B7R0.2 C=CC(=O)NC(C)C CNP0414888.0 [0,2,0,0,0,0|0,0,1]=3 660 B7R0.2 C=CC(C)CC(C)C CNP0104195.0 [0,2,0,0,0,0|0,0,2]=4 661 B7R0.2 C=NN(C)C=C(C)N CNP0345001.0 [0,2,0,0,0,0|1,0,1]=4 662 B7R0.2 CC(=CC(C)C)C=O CNP0076574.0 [0,2,0,0,0,0|0,0,0]=2 663 B7R0.2 CC(=O)OC(C)C#N CNP0194658.0 [0,2,0,0,0,0|1,0,1]=4 664 B7R0.2 CC(=O)OC(C)C=O CNP0528164.0 [0,2,0,0,0,0|1,0,1]=4 665 B7R0.2 CC(C)CC(=O)C#N CNP0113699.0 [0,2,0,0,0,0|0,0,2]=4 666 B7R0.2 CC(C)CC(N)C=O CNP0502927.0 [0,2,0,0,0,0|1,0,1]=4 667 B7R0.2 CC(C)CC(N)C=O CNP0510216.0 [0,2,0,0,0,0|1,0,1]=4 668 B7R0.2 CC(C)CC(N)C=O CNP0549122.0 [0,2,0,0,0,0|1,0,1]=4 669 B7R0.2 CC(C)CC(N)C=O CNP0579101.0 [0,2,0,0,0,0|1,0,1]=4 670 B7R0.2 CC(C)CC(N)C=O CNP0579301.0 [0,2,0,0,0,0|1,0,1]=4 671 B7R0.2 CC(C)CC(N)C=O CNP0595026.0 [0,2,0,0,0,0|1,0,1]=4 672 B7R0.2 CC(C)C[C@@H](N)CO CNP0295420.1 [0,2,0,0,0,0|0,0,2]=4 673 B7R0.2 CC(C)C[C@H](C)C=O CNP0563358.1 [0,2,0,0,0,0|0,0,2]=4 674 B7R0.2 CC(C)C[C@H](N)CO CNP0295420.2 [0,2,0,0,0,0|0,0,2]=4 675 B7R0.2 CC(C)NC(=N)NO CNP0506975.0 [0,2,0,0,0,0|2,0,0]=4 676 B7R0.2 CC(CO)CC(=O)O CNP0350905.0 [0,2,0,0,0,0|1,0,1]=4 677 B7R0.2 CCC(=CC(=O)C)C CNP0380051.0 [0,2,0,0,0,0|0,0,1]=3 678 B7R0.2 CCC(=CC(=O)O)C CNP0340018.0 [0,2,0,0,0,0|1,0,1]=4 679 B7R0.2 CCC(=O)C=C(C)C CNP0540144.0 [0,2,0,0,0,0|0,0,1]=3 680 B7R0.2 CCC(=O)CC(C)C CNP0284484.0 [0,2,0,0,0,0|0,0,1]=3 681 B7R0.2 CCC(=O)OC(C)C CNP0250066.0 [0,2,0,0,0,0|0,0,1]=3 682 B7R0.2 CCC(C)CC(=O)C CNP0555982.0 [0,2,0,0,0,0|0,0,1]=3 683 B7R0.2 CC[C@@H](C)CC(=O)O CNP0258429.2 [0,2,0,0,0,0|1,0,1]=4 684 B7R0.2 CC[C@@H](C)OC(=O)C CNP0076550.2 [0,2,0,0,0,0|1,0,0]=3 685 B7R0.2 CC[C@H](C)CC(=O)Cl CNP0111918.1 [0,2,0,0,0,0|1,0,1]=4 686 B7R0.2 CC[C@H](C)CC(=O)N CNP0105662.1 [0,2,0,0,0,0|1,0,1]=4 687 B7R0.2 CC[C@H](C)CC(=O)O CNP0258429.1 [0,2,0,0,0,0|1,0,1]=4 688 B7R0.2 CC[C@H](C)CC(C)C CNP0229015.1 [0,2,0,0,0,0|0,0,2]=4 689 B7R0.2 CC[C@H](C)NC(=N)S CNP0609369.1 [0,2,0,0,0,0|2,0,0]=4 690 B7R0.2 CC[C@H](C)NC(=S)N CNP0206786.1 [0,2,0,0,0,0|2,0,0]=4 691 B7R0.2 CC[C@H](C)OC(=O)C CNP0076550.1 [0,2,0,0,0,0|1,0,0]=3 692 B7R0.2 COC(=CC(=O)C)C CNP0350005.0 [0,2,0,0,0,0|0,0,1]=3 693 B7R0.2 COC(=O)C=C(C)C CNP0329537.0 [0,2,0,0,0,0|0,0,1]=3 694 B7R0.2 COC(=O)CC(C)C CNP0289344.0 [0,2,0,0,0,0|0,0,1]=3 695 B7R0.2 COC(=O)CC(C)S CNP0050854.0 [0,2,0,0,0,0|1,0,1]=4 696 B7R0.2 COC(=O)CN(C)C CNP0318263.0 [0,2,0,0,0,0|1,0,1]=4 697 B7R0.2 COC(=O)C[C@@H](C)N CNP0127877.1 [0,2,0,0,0,0|1,0,1]=4 698 B7R0.2 COC(=O)C[C@H](C)O CNP0117417.1 [0,2,0,0,0,0|1,0,1]=4 699 B7R0.2 COC(=O)C[S+](C)C CNP0025669.0 [0,2,0,0,0,0|1,0,1]=4 700 B7R0.2 COC(=O)C[S](C)C CNP0539244.0 [0,2,0,0,0,0|1,0,1]=4 701 B7R0.2 CSC(=O)CC(C)C CNP0084338.0 [0,2,0,0,0,0|0,0,1]=3 702 B7R0.2 CSC(C)SC(C)S CNP0609794.0 [0,2,0,0,0,0|1,0,1]=4 703 B7R0.3 C=CC(=CC=CC)C CNP0321924.0 [0,2,0,0,0,0|0,0,2]=4 704 B7R0.3 C=CC=CC(C)C=C CNP0076743.0 [0,2,0,0,0,0|0,0,2]=4 705 B7R0.3 CCC(C)CCCO CNP0251541.0 [0,2,0,0,0,0|0,0,2]=4 706 B7R0.3 CCC=CC(=O)CC CNP0166330.0 [0,2,0,0,0,0|1,0,1]=4 707 B7R0.3 CCCC=C(C)CC CNP0263169.0 [0,2,0,0,0,0|0,0,2]=4 708 B7R0.3 CCCCC(C)CO CNP0563062.0 [0,2,0,0,0,0|0,0,2]=4 709 B7R0.3 CCCC[C@@H](C)CC CNP0161853.2 [0,2,0,0,0,0|0,0,2]=4 710 B7R0.3 CCCC[C@H](C)CC CNP0161853.1 [0,2,0,0,0,0|0,0,2]=4 711 B7R0.3 CCCC[C@H](C)CO CNP0563062.1 [0,2,0,0,0,0|0,0,2]=4 712 B7R0.3 CCSSC(C)CC CNP0075907.0 [0,2,0,0,0,0|1,0,1]=4 713 B7R0.3 CCSSC(C)SC CNP0003141.0 [0,2,0,0,0,0|1,0,1]=4 714 B7R0.3 CC[C@@H](C)/N=C/C=S CNP0247636.1 [0,2,0,0,0,0|1,0,0]=3 715 B7R0.3 CC[C@@H](C)/[NH+]=C/C=S CNP0564255.1 [0,2,0,0,0,0|1,0,0]=3 716 B7R0.3 CC[C@@H](C)SSSC CNP0173477.1 [0,2,0,0,0,0|2,0,0]=4 717 B7R0.3 CC[C@@H](O)/C=C\CO CNP0000045.1 [0,2,0,0,0,0|1,0,0]=3 718 B7R0.3 CNC(=O)C=CSC CNP0255894.0 [0,2,0,0,0,0|1,0,1]=4 719 B7R0.3 COC=CC(=O)OC CNP0398712.0 [0,2,0,0,0,0|1,0,1]=4 720 B7R0.3 COCC=C(C)CO CNP0311126.0 [0,2,0,0,0,0|0,0,2]=4 721 B7R0.3 CON=CC(O)CO CNP0082054.0 [0,2,0,0,0,0|2,0,0]=4 722 B7R0.5 C=C(C)C(C)C=CC CNP0579176.0 [0,2,0,0,0,0|0,0,0]=2 723 B7R0.5 C=C(C)C(C)CCC CNP0602061.0 [0,2,0,0,0,0|0,0,2]=4 724 B7R0.5 C=C(CCO)C(C)C CNP0174657.0 [0,2,0,0,0,0|0,0,1]=3 725 B7R0.5 C=CCC(C)C(C)C CNP0601967.0 [0,2,0,0,0,0|0,0,2]=4 726 B7R0.5 CC(=CCO)C(C)C CNP0253008.0 [0,2,0,0,0,0|0,0,0]=2 727 B7R0.5 CC(=O)C(=CC=O)C CNP0268204.0 [0,2,0,0,0,0|1,0,1]=4 728 B7R0.5 CC(C)C(S)CCO CNP0529625.0 [0,2,0,0,0,0|0,0,2]=4 729 B7R0.5 CC=CC(C)C(=O)O CNP0085321.0 [0,2,0,0,0,0|0,0,1]=3 730 B7R0.5 CCCC(=O)C(C)C CNP0310980.0 [0,2,0,0,0,0|0,0,1]=3 731 B7R0.5 CCCC(=O)[C@@H](C)O CNP0229678.1 [0,2,0,0,0,0|1,0,1]=4 732 B7R0.5 CCCC(=O)[C@H](C)O CNP0229678.2 [0,2,0,0,0,0|1,0,1]=4 733 B7R0.5 CCCC(C)C(=O)C CNP0145602.0 [0,2,0,0,0,0|0,0,2]=4 734 B7R0.5 CCC[C@H](C)C(C)C CNP0153562.1 [0,2,0,0,0,0|0,0,2]=4 735 B7R0.5 CCOC(=O)C(C)C CNP0230163.0 [0,2,0,0,0,0|0,0,1]=3 736 B7R0.5 CCOC(=O)C(C)S CNP0003364.0 [0,2,0,0,0,0|1,0,1]=4 737 B7R0.5 CCOC(=O)[C@@H](C)O CNP0196373.1 [0,2,0,0,0,0|1,0,1]=4 738 B7R0.5 CCOC(=O)[C@H](C)O CNP0196373.2 [0,2,0,0,0,0|1,0,1]=4 739 B7R0.5 CCOC(C)C(=O)C CNP0496996.0 [0,2,0,0,0,0|1,0,1]=4 740 B7R0.5 CCSC(C)C(C)C CNP0213489.0 [0,2,0,0,0,0|0,0,2]=4 741 B7R0.7 C=CCC(=CCC)C CNP0076324.0 [0,2,0,0,0,0|0,0,2]=4 742 B7R0.7 CC(=CC=O)CCO CNP0162817.0 [0,2,0,0,0,0|1,0,1]=4 743 B7R0.7 CC=CC(=CC=O)C CNP0360026.0 [0,2,0,0,0,0|0,0,2]=4 744 B7R0.7 CC=CC(=O)CCC CNP0003369.0 [0,2,0,0,0,0|1,0,1]=4 745 B7R0.7 CC=CC(=O)OCC CNP0251499.0 [0,2,0,0,0,0|1,0,1]=4 746 B7R0.7 CC=CC(C)CCC CNP0084706.0 [0,2,0,0,0,0|0,0,0]=2 747 B7R0.7 CC=CC(O)CCC CNP0324750.0 [0,2,0,0,0,0|1,0,0]=3 748 B7R0.7 CCC=C(C)CCC CNP0345457.0 [0,2,0,0,0,0|0,0,2]=4 749 B7R0.7 CCCC(C)CC=O CNP0405888.0 [0,2,0,0,0,0|0,0,2]=4 750 B7R0.7 CCCC(C)CCC CNP0137963.0 [0,2,0,0,0,0|0,0,2]=4 751 B7R0.7 CCC[C@@H](C)CCO CNP0076379.1 [0,2,0,0,0,0|0,0,2]=4 752 B7R0.7 CCC[C@@H](C)SCC CNP0322285.1 [0,2,0,0,0,0|0,0,2]=4 753 B7R0.7 CCC[C@H](C)CCO CNP0076379.2 [0,2,0,0,0,0|0,0,2]=4 754 B7R0.7 CCC[C@H](C)OCC CNP0076637.1 [0,2,0,0,0,0|0,0,2]=4 755 B7R0.7 CCOC(C)OCC CNP0177172.0 [0,2,0,0,0,0|1,0,1]=4 756 B7R0.7 CCSC(C)SCC CNP0610536.0 [0,2,0,0,0,0|1,0,1]=4 757 B7R0.7 CCSC(C)SSC CNP0156066.0 [0,2,0,0,0,0|1,0,1]=4 758 B7R0.10 C=CC(=O)C(C)CC CNP0127244.0 [0,2,0,0,0,0|0,0,1]=3 759 B7R0.10 CC=C(C)C(=CC)C CNP0611340.0 [0,2,0,0,0,0|0,0,1]=3 760 B7R0.10 CC=C(C)C(=O)CC CNP0305910.0 [0,2,0,0,0,0|0,0,2]=4 761 B7R0.10 CC=C(C)C(=O)OC CNP0136936.0 [0,2,0,0,0,0|1,0,1]=4 762 B7R0.10 CCC(=O)[C@@H](C)CC CNP0326368.2 [0,2,0,0,0,0|0,0,1]=3 763 B7R0.10 CCC(=O)[C@H](C)CC CNP0326368.1 [0,2,0,0,0,0|0,0,1]=3 764 B7R0.10 CCC(C)C(N)C=O CNP0141097.0 [0,2,0,0,0,0|1,0,1]=4 765 B7R0.10 CCC(O)C(=O)OC CNP0611994.0 [0,2,0,0,0,0|2,0,0]=4 766 B7R0.10 CCC(S)C(C)CO CNP0361612.0 [0,2,0,0,0,0|0,0,2]=4 767 B7R0.10 CC[C@@H](C)C(=O)OC CNP0253021.1 [0,2,0,0,0,0|1,0,0]=3 768 B7R0.10 CC[C@@H](C)[C@@H](C)CC CNP0380511.1 [0,2,0,0,0,0|0,0,2]=4 769 B7R0.10 CC[C@@H](O)[C@@H](C)CC CNP0328845.1 [0,2,0,0,0,0|0,0,2]=4 770 B7R0.10 CC[C@H](C)C(=O)OC CNP0253021.2 [0,2,0,0,0,0|1,0,0]=3 771 B7R0.10 CN[C@@H](C)C(=O)OC CNP0066351.2 [0,2,0,0,0,0|1,0,0]=3 772 B7R0.10 CN[C@H](C)C(=O)OC CNP0066351.1 [0,2,0,0,0,0|1,0,0]=3 773 B7R0.10 COC(=O)C(C)CO CNP0487988.0 [0,2,0,0,0,0|1,0,0]=3 774 B7R0.10 COC(=O)[C@@H](N)CO CNP0398727.2 [0,2,0,0,0,0|2,0,0]=4 775 B7R0.10 COC(=O)[C@@H](N)CS CNP0178612.1 [0,2,0,0,0,0|2,0,0]=4 776 B7R0.10 COC(=O)[C@@H](O)CO CNP0269483.1 [0,2,0,0,0,0|2,0,0]=4 777 B7R0.10 COC(=O)[C@H](C)C=O CNP0094897.1 [0,2,0,0,0,0|1,0,1]=4 778 B7R0.10 COC(=O)[C@H](N)CS CNP0178612.2 [0,2,0,0,0,0|2,0,0]=4 779 B7R0.10 COC(=O)[C@H](O)CO CNP0269483.2 [0,2,0,0,0,0|2,0,0]=4 780 B7R0.11 CC=CS(=O)(=O)SC CNP0192483.0 [0,2,0,0,0,0|2,0,0]=4 781 B7R0.11 CCCC(C)(C)CC CNP0190081.0 [0,2,0,0,0,0|0,0,2]=4 782 B7R0.11 CCCC(C)(O)CC CNP0493821.0 [0,2,0,0,0,0|0,0,2]=4 783 B7R0.11 CCOC(C)(C)CC CNP0167701.0 [0,2,0,0,0,0|1,0,1]=4 784 B7R0.11 CCOC(C)(C)OC CNP0608393.0 [0,2,0,0,0,0|1,0,1]=4 785 B7R0.11 CCSC(C)(C)CC CNP0230254.0 [0,2,0,0,0,0|1,0,1]=4 786 B7R0.11 CSC(C)(C)C=NO CNP0236630.0 [0,2,0,0,0,0|2,0,0]=4 787 B7R0.11 CSSC(C)(C)C=O CNP0002675.0 [0,2,0,0,0,0|2,0,0]=4 788 B7R0.12 C=CCC(CC)CC CNP0564971.0 [0,2,0,0,0,0|0,0,2]=4 789 B7R0.12 C=C[C@@H](/C=C/C)CC CNP0401910.1 [0,2,0,0,0,0|0,0,1]=3 790 B7R0.12 CCC(SC)SSC CNP0321814.0 [0,2,0,0,0,0|2,0,0]=4 791 B7R0.12 CCC=C(CC)CC CNP0530661.0 [0,2,0,0,0,0|0,0,2]=4 792 B7R0.12 CCCC(CC)CC CNP0154770.0 [0,2,0,0,0,0|0,0,2]=4 793 B7R0.12 CCSC(CC)CC CNP0199582.0 [0,2,0,0,0,0|1,0,1]=4 794 B7R0.12 COC[C@H](CO)OC CNP0279745.1 [0,2,0,0,0,0|1,0,1]=4 795 B7R0.12 O=COC(CO)CO CNP0272402.0 [0,2,0,0,0,0|2,0,0]=4 796 B7R0.9 C=C(C)CC(C)(C)C CNP0205743.0 [0,2,0,0,0,0|0,0,1]=3 797 B7R0.9 CC(=O)CC(C)(C)N CNP0308677.0 [0,2,0,0,0,0|0,0,1]=3 798 B7R0.9 CC(=O)CC(C)(C)O CNP0333881.0 [0,2,0,0,0,0|0,0,1]=3 799 B7R0.9 CC(=O)CC(C)(C)S CNP0003365.0 [0,2,0,0,0,0|0,0,1]=3 800 B7R0.9 CC(=O)C[N+](C)(C)C CNP0490253.0 [0,2,0,0,0,0|1,0,1]=4 801 B7R0.9 CC(C)(C)NC(=O)N CNP0541950.0 [0,2,0,0,0,0|2,0,0]=4 802 B7R0.9 CC(C)(O)CC(=O)O CNP0284455.0 [0,2,0,0,0,0|1,0,1]=4 803 B7R0.9 CC(C)CC(C)(C)C CNP0079943.0 [0,2,0,0,0,0|0,0,2]=4 804 B7R0.9 CC(C)CC(C)(C)O CNP0085669.0 [0,2,0,0,0,0|0,0,2]=4 805 B7R0.9 CC(C)OS(=O)(=O)C CNP0071159.0 [0,2,0,0,0,0|2,0,0]=4 806 B7R0.9 CN(C)CC(C)(C)O CNP0312346.0 [0,2,0,0,0,0|1,0,1]=4 807 B7R0.9 C[C@@H](O)CC(C)(C)O CNP0352838.2 [0,2,0,0,0,0|0,0,2]=4 808 B7R0.9 C[C@H](O)CC(C)(C)O CNP0352838.1 [0,2,0,0,0,0|0,0,2]=4 809 B7R0.16 C=C(C(=O)O)[C@@H](C)O CNP0180552.2 [0,2,0,0,0,0|2,0,0]=4 810 B7R0.16 C=C(C(=O)O)[C@H](C)O CNP0180552.1 [0,2,0,0,0,0|2,0,0]=4 811 B7R0.16 C=C(C)C(=O)C(C)C CNP0611996.0 [0,2,0,0,0,0|0,0,0]=2 812 B7R0.16 CC(=C(C)C(=O)O)C CNP0298281.0 [0,2,0,0,0,0|1,0,1]=4 813 B7R0.16 CC(=C(O)C(=O)O)C CNP0081972.0 [0,2,0,0,0,0|1,0,1]=4 814 B7R0.16 CC(=O)C(=O)C(C)C CNP0264212.0 [0,2,0,0,0,0|0,0,0]=2 815 B7R0.16 CC(=O)C(S)C(C)C CNP0012295.0 [0,2,0,0,0,0|0,0,1]=3 816 B7R0.16 CC(=O)N(C)C(C)C CNP0111110.0 [0,2,0,0,0,0|1,0,0]=3 817 B7R0.16 CC(=O)[C@@H](Br)C(C)C CNP0046833.1 [0,2,0,0,0,0|0,0,1]=3 818 B7R0.16 CC(=O)[C@H](Br)C(C)C CNP0046833.2 [0,2,0,0,0,0|0,0,1]=3 819 B7R0.16 CC(C)C(=O)C(=O)N CNP0124089.0 [0,2,0,0,0,0|1,0,0]=3 820 B7R0.16 CC(C)C(=O)C(=O)O CNP0207859.0 [0,2,0,0,0,0|1,0,0]=3 821 B7R0.16 CC(C)C(=O)C(C)C CNP0413157.0 [0,2,0,0,0,0|0,0,1]=3 822 B7R0.16 CC(C)C(=O)C(C)O CNP0291790.0 [0,2,0,0,0,0|0,0,1]=3 823 B7R0.16 CC(C)C(N)C(C)C CNP0083055.0 [0,2,0,0,0,0|0,0,2]=4 824 B7R0.16 CC(C)C(O)C(C)C CNP0366830.0 [0,2,0,0,0,0|0,0,2]=4 825 B7R0.16 CC(C)[C@@H](N)C(=O)O CNP0152507.2 [0,2,0,0,0,0|1,0,1]=4 826 B7R0.16 CC(C)[C@@H](O)C(=O)N CNP0311908.1 [0,2,0,0,0,0|1,0,1]=4 827 B7R0.16 CC(C)[C@@H](O)C(=O)O CNP0267024.1 [0,2,0,0,0,0|1,0,1]=4 828 B7R0.16 CC(C)[C@H](N)C(=O)O CNP0152507.1 [0,2,0,0,0,0|1,0,1]=4 829 B7R0.16 CC(C)[C@H](O)C(=O)O CNP0267024.2 [0,2,0,0,0,0|1,0,1]=4 830 B7R0.16 CN(C)C(=O)C(=O)O CNP0288655.0 [0,2,0,0,0,0|2,0,0]=4 831 B7R0.16 CN(C)C(=O)N(C)C CNP0083044.0 [0,2,0,0,0,0|2,0,0]=4 832 B7R0.16 C[C@@H](O)C(=O)C(=O)O CNP0287171.1 [0,2,0,0,0,0|2,0,0]=4 833 B7R0.16 [13CH3][13CH]([13CH3])[13C@H]([15NH2])[13C](=O)O CNP0152507.4 [0,2,0,0,0,0|1,0,1]=4 834 B7R0.13 C=C[C@@](C)(O)C(C)C CNP0249096.1 [0,2,0,0,0,0|0,0,2]=4 835 B7R0.13 CCC(C)(C)C(C)C CNP0085046.0 [0,2,0,0,0,0|0,0,2]=4 836 B7R0.14 CC(C)(C)C(=O)C=O CNP0298052.0 [0,2,0,0,0,0|1,0,0]=3 837 B7R0.14 COC(=O)C(C)(C)O CNP0269144.0 [0,2,0,0,0,0|1,0,0]=3 838 B7R0.15 CCC(CC)C(C)C CNP0152906.0 [0,2,0,0,0,0|0,0,2]=4 839 B7R0.4 C=C(C)C=CC=CC CNP0393137.0 [0,2,0,0,0,0|0,0,2]=4 840 B7R0.4 C=C(C)CCC=CC CNP0576117.0 [0,2,0,0,0,0|0,0,2]=4 841 B7R0.4 C=CCCCC(C)C CNP0359236.0 [0,2,0,0,0,0|0,0,2]=4 842 B7R0.4 CC(=CCOC=O)C CNP0041956.0 [0,2,0,0,0,0|1,0,1]=4 843 B7R0.4 CC(C)CCCCO CNP0497904.0 [0,2,0,0,0,0|0,0,2]=4 844 B7R0.4 CC(C)CCNC=O CNP0473179.0 [0,2,0,0,0,0|1,0,1]=4 845 B7R0.4 CC(C)CCOC=O CNP0324042.0 [0,2,0,0,0,0|1,0,1]=4 846 B7R0.4 CC/C=C/C[C@H](C)O CNP0273661.3 [0,2,0,0,0,0|1,0,0]=3 847 B7R0.4 CC/C=C\C[C@@H](C)O CNP0273661.2 [0,2,0,0,0,0|1,0,0]=3 848 B7R0.4 CC/C=C\C[C@H](C)O CNP0273661.1 [0,2,0,0,0,0|1,0,0]=3 849 B7R0.4 CC=CC=CC(=O)C CNP0332734.0 [0,2,0,0,0,0|1,0,1]=4 850 B7R0.4 CC=CSSC(C)C CNP0589450.0 [0,2,0,0,0,0|0,0,0]=2 851 B7R0.4 CCC=CCC(=O)C CNP0207647.0 [0,2,0,0,0,0|1,0,1]=4 852 B7R0.4 CCCC=CC(=O)C CNP0280826.0 [0,2,0,0,0,0|1,0,1]=4 853 B7R0.4 CCCCCC(C)C CNP0146536.0 [0,2,0,0,0,0|0,0,2]=4 854 B7R0.4 CCCNCC(C)C CNP0333564.0 [0,2,0,0,0,0|0,0,2]=4 855 B7R0.4 CCCSCC(C)C CNP0116113.0 [0,2,0,0,0,0|0,0,2]=4 856 B7R0.4 CCCSSC(C)C CNP0309421.0 [0,2,0,0,0,0|0,0,2]=4 857 B7R0.4 CCNCCC(C)C CNP0184897.0 [0,2,0,0,0,0|0,0,2]=4 858 B7R0.4 CCOCC=C(C)C CNP0002719.0 [0,2,0,0,0,0|0,0,2]=4 859 B7R0.4 CCOCCC(C)C CNP0032749.0 [0,2,0,0,0,0|0,0,2]=4 860 B7R0.4 CSSC=CC(C)C CNP0002674.0 [0,2,0,0,0,0|0,0,0]=2 861 B7R0.4 [CH2]CCCCC(C)C CNP0488090.0 [0,2,0,0,0,0|0,0,2]=4 862 B7R0.6 CC(=CC=C(C)C)C CNP0084726.0 [0,2,0,0,0,0|0,0,1]=3 863 B7R0.6 CC(=CCC(=O)O)C CNP0178388.0 [0,2,0,0,0,0|1,0,1]=4 864 B7R0.6 CC(=O)C=CC(=O)C CNP0303603.0 [0,2,0,0,0,0|1,0,1]=4 865 B7R0.6 CC(=O)C=CC(C)C CNP0282647.0 [0,2,0,0,0,0|0,0,0]=2 866 B7R0.6 CC(=O)CCC(C)C CNP0109911.0 [0,2,0,0,0,0|0,0,1]=3 867 B7R0.6 CC(=O)COC(C)C CNP0500658.0 [0,2,0,0,0,0|0,0,1]=3 868 B7R0.6 CC(=O)NCC(C)C CNP0330824.0 [0,2,0,0,0,0|0,0,1]=3 869 B7R0.6 CC(=O)OCC(C)C CNP0233943.0 [0,2,0,0,0,0|0,0,1]=3 870 B7R0.6 CC(C)C=CC(=O)Cl CNP0373188.0 [0,2,0,0,0,0|0,0,1]=3 871 B7R0.6 CC(C)C=CC(=O)O CNP0205254.0 [0,2,0,0,0,0|0,0,1]=3 872 B7R0.6 CC(C)CCC(=O)Cl CNP0308408.0 [0,2,0,0,0,0|1,0,1]=4 873 B7R0.6 CC(C)CCC(=O)N CNP0148296.0 [0,2,0,0,0,0|1,0,1]=4 874 B7R0.6 CC(C)CCC(=O)O CNP0414918.0 [0,2,0,0,0,0|1,0,1]=4 875 B7R0.6 CC(C)CCC(C)C CNP0238949.0 [0,2,0,0,0,0|0,0,2]=4 876 B7R0.6 CC(C)CN[S+](C)[O-] CNP0568389.0 [0,2,0,0,0,0|1,0,1]=4 877 B7R0.6 CC(C)SSC(C)C CNP0325954.0 [0,2,0,0,0,0|1,0,1]=4 878 B7R0.6 CC(O)C=CC(C)O CNP0301514.0 [0,2,0,0,0,0|1,0,0]=3 879 B7R0.6 CC(O)COC(C)C CNP0503370.0 [0,2,0,0,0,0|0,0,2]=4 880 B7R0.8 CC(C)(C)C#CC=O CNP0610546.0 [0,2,0,0,0,0|1,0,1]=4 881 B7R0.8 CC(C)(C)C=CC=O CNP0514771.0 [0,2,0,0,0,0|0,0,1]=3 882 B7R0.8 CC(C)(C)OCCN CNP0068463.0 [0,2,0,0,0,0|1,0,1]=4 883 B7R0.8 CC(C)(O)C=C=C=O CNP0252745.0 [0,2,0,0,0,0|0,0,2]=4 884 B7R0.8 CC=CSS(=O)(=O)C CNP0380331.0 [0,2,0,0,0,0|2,0,0]=4 885 B7R0.8 CCCCC(C)(C)C CNP0139885.0 [0,2,0,0,0,0|0,0,2]=4 886 B7R0.8 CCCSC(C)(C)C CNP0177431.0 [0,2,0,0,0,0|0,0,2]=4 887 B7R0.8 COCCC(C)(C)S CNP0210797.0 [0,2,0,0,0,0|0,0,2]=4 888 B7R0.8 CS(=O)(=O)C=CCO CNP0185981.0 [0,2,0,0,0,0|2,0,0]=4 889 B5R1.2 CC1CCC1 CNP0546383.0 [1,0,0,1,0,0|0,0,1]=3 890 B5R1.2 NC1CCC1 CNP0609061.0 [1,0,0,1,0,0|1,0,1]=4 891 B5R1.2 OC1CCC1 CNP0562500.0 [1,0,0,1,0,0|1,0,1]=4 892 B5R1.3 CC=C1CC1 CNP0594561.0 [1,0,0,1,0,0|0,0,1]=3 893 B5R1.3 OCC1CC1 CNP0604045.0 [1,0,0,1,0,0|1,0,1]=4 894 B5R1.4 CC1OC1C CNP0609093.0 [1,0,0,1,0,0|1,0,1]=4 895 B5R1.4 C[C@@H]1S[C@@H]1C CNP0577092.1 [1,0,0,1,0,0|1,0,1]=4 896 B5R1.5 CC1(CO1)C CNP0494243.0 [1,0,0,1,0,0|1,0,0]=3 897 B5R1.1 C1=CCC=C1 CNP0588646.0 [1,0,0,1,0,0|0,0,2]=4 898 B5R1.1 C1=CCCC1 CNP0534738.0 [1,0,0,1,0,0|0,0,0]=2 899 B5R1.1 C1=CCOC1 CNP0579994.0 [1,0,0,1,0,0|1,0,0]=3 900 B5R1.1 C1=CNCC1 CNP0527065.0 [1,0,0,1,0,0|1,0,0]=3 901 B5R1.1 C1=COCC1 CNP0540644.0 [1,0,0,1,0,0|1,0,0]=3 902 B5R1.1 C1=CSCC1 CNP0496655.0 [1,0,0,1,0,0|1,0,0]=3 903 B5R1.1 C1=CSCS1 CNP0479150.0 [1,0,0,1,0,0|2,0,0]=4 904 B5R1.1 C1=CSSC1 CNP0490976.0 [1,0,0,1,0,0|2,0,0]=4 905 B5R1.1 C1=NCCC1 CNP0581055.0 [1,0,0,1,0,0|1,0,0]=3 906 B5R1.1 C1=PCCC1 CNP0609027.0 [1,0,0,1,0,0|1,0,0]=3 907 B5R1.1 C1CCCC1 CNP0566364.0 [1,0,0,1,0,0|0,0,2]=4 908 B5R1.1 C1CCNC1 CNP0572990.0 [1,0,0,1,0,0|1,0,1]=4 909 B5R1.1 C1CCOC1 CNP0507941.0 [1,0,0,1,0,0|1,0,1]=4 910 B5R1.1 C1CCPC1 CNP0598418.0 [1,0,0,1,0,0|1,0,1]=4 911 B5R1.1 C1CCSC1 CNP0569262.0 [1,0,0,1,0,0|1,0,1]=4 912 B5R1.1 C1CSSC1 CNP0501166.0 [1,0,0,1,0,0|2,0,0]=4 913 B7R1.1 CCC1=CCCC1 CNP0080677.0 [0,1,0,1,0,0|0,0,2]=4 914 B7R1.1 CCC1CCCC1 CNP0273207.0 [0,1,0,1,0,0|0,0,2]=4 915 B7R1.1 NC[C@@H]1CCCN1 CNP0565632.1 [0,1,0,1,0,0|1,0,1]=4 916 B7R1.1 OC[C@@H]1CCCN1 CNP0083051.2 [0,1,0,1,0,0|1,0,1]=4 917 B7R1.1 OC[C@@H]1CCCO1 CNP0262830.1 [0,1,0,1,0,0|1,0,1]=4 918 B7R1.1 OC[C@H]1CCCN1 CNP0083051.1 [0,1,0,1,0,0|1,0,1]=4 919 B7R1.1 OC[C@H]1CCCO1 CNP0262830.2 [0,1,0,1,0,0|1,0,1]=4 920 B7R1.2 CC1=CC(=O)CC1 CNP0317275.0 [0,1,0,1,0,0|0,0,1]=3 921 B7R1.2 CC1=CC(=O)CO1 CNP0257916.0 [0,1,0,1,0,0|1,0,1]=4 922 B7R1.2 CC1=CC(=O)OC1 CNP0565176.0 [0,1,0,1,0,0|1,0,1]=4 923 B7R1.2 CC1=CC(=S)CC1 CNP0042519.0 [0,1,0,1,0,0|0,0,1]=3 924 B7R1.2 CC1=CC(CS1)S CNP0374005.0 [0,1,0,1,0,0|1,0,0]=3 925 B7R1.2 CC1=CC=C(N1)C CNP0293795.0 [0,1,0,1,0,0|1,0,1]=4 926 B7R1.2 CC1=CC=C(O1)C CNP0204172.0 [0,1,0,1,0,0|1,0,1]=4 927 B7R1.2 CC1=CC=C(S1)C CNP0108172.0 [0,1,0,1,0,0|1,0,1]=4 928 B7R1.2 CC1=CN(C=N1)C CNP0371299.0 [0,1,0,1,0,0|1,0,1]=4 929 B7R1.2 CC1=CN=C(N1)C CNP0491637.0 [0,1,0,1,0,0|1,0,1]=4 930 B7R1.2 CC1=CN=C(O1)C CNP0342440.0 [0,1,0,1,0,0|1,0,1]=4 931 B7R1.2 CC1=CN=C(S1)C CNP0104615.0 [0,1,0,1,0,0|1,0,1]=4 932 B7R1.2 CC1=CNC(=N1)C CNP0266432.0 [0,1,0,1,0,0|1,0,1]=4 933 B7R1.2 CC1=COC(=C1)C CNP0386095.0 [0,1,0,1,0,0|0,0,2]=4 934 B7R1.2 CC1=COC(=N1)C CNP0003151.0 [0,1,0,1,0,0|1,0,1]=4 935 B7R1.2 CC1=CSC(=C1)C CNP0354538.0 [0,1,0,1,0,0|0,0,2]=4 936 B7R1.2 CC1=CSC(=N1)C CNP0325740.0 [0,1,0,1,0,0|1,0,1]=4 937 B7R1.2 CC1=NC(CN1)C CNP0564639.0 [0,1,0,1,0,0|1,0,0]=3 938 B7R1.2 CC1=NC(OC1)C CNP0002478.0 [0,1,0,1,0,0|1,0,0]=3 939 B7R1.2 CC1=NC(SC1)C CNP0372580.0 [0,1,0,1,0,0|1,0,0]=3 940 B7R1.2 CC1=NC[C@@H](N1)C CNP0268657.1 [0,1,0,1,0,0|1,0,0]=3 941 B7R1.2 CC1=NN(C=C1)C CNP0605610.0 [0,1,0,1,0,0|1,0,1]=4 942 B7R1.2 CC1=NOC(=C1)C CNP0609091.0 [0,1,0,1,0,0|1,0,1]=4 943 B7R1.2 CC1C=C(CC1)O CNP0082123.0 [0,1,0,1,0,0|0,0,0]=2 944 B7R1.2 CC1C=CC(=O)O1 CNP0003646.0 [0,1,0,1,0,0|1,0,1]=4 945 B7R1.2 CC1C=CC(O1)C CNP0611535.0 [0,1,0,1,0,0|1,0,0]=3 946 B7R1.2 CC1CC(=CS1)S CNP0301304.0 [0,1,0,1,0,0|1,0,0]=3 947 B7R1.2 CC1CCC(=O)C1 CNP0601005.0 [0,1,0,1,0,0|0,0,1]=3 948 B7R1.2 CC1CCC(=O)S1 CNP0014457.0 [0,1,0,1,0,0|1,0,0]=3 949 B7R1.2 CC1CCC(C1)O CNP0608388.0 [0,1,0,1,0,0|0,0,2]=4 950 B7R1.2 CC1CCC(S1)C CNP0003500.0 [0,1,0,1,0,0|1,0,1]=4 951 B7R1.2 CC1CNC(=O)C1 CNP0609130.0 [0,1,0,1,0,0|1,0,1]=4 952 B7R1.2 CC1COC(=O)O1 CNP0609065.0 [0,1,0,1,0,0|2,0,0]=4 953 B7R1.2 C[C@@H]1CCC(=O)O1 CNP0123835.1 [0,1,0,1,0,0|1,0,0]=3 954 B7R1.2 C[C@@H]1CC[C@@H](C1)C CNP0177457.1 [0,1,0,1,0,0|0,0,2]=4 955 B7R1.2 C[C@@H]1CC[C@@H](O1)C CNP0230648.1 [0,1,0,1,0,0|1,0,1]=4 956 B7R1.2 C[C@@H]1COC(=O)C1 CNP0323281.1 [0,1,0,1,0,0|1,0,1]=4 957 B7R1.2 C[C@H]1CCC(=O)O1 CNP0123835.2 [0,1,0,1,0,0|1,0,0]=3 958 B7R1.2 C[C@H]1COC(=O)C1 CNP0323281.2 [0,1,0,1,0,0|1,0,1]=4 959 B7R1.2 C[C@H]1COC(=S)N1 CNP0279656.1 [0,1,0,1,0,0|2,0,0]=4 960 B7R1.2 O=C1C=CC(C1)O CNP0594515.0 [0,1,0,1,0,0|1,0,1]=4 961 B7R1.2 O=C1CC[C@@H](N1)O CNP0286097.2 [0,1,0,1,0,0|2,0,0]=4 962 B7R1.2 O=C1CC[C@H](N1)O CNP0286097.1 [0,1,0,1,0,0|2,0,0]=4 963 B7R1.2 OC1=NC(CC1)O CNP0547002.0 [0,1,0,1,0,0|2,0,0]=4 964 B7R1.3 CC1=CC=CCC1 CNP0238161.0 [0,1,0,1,0,0|0,0,1]=3 965 B7R1.3 CC1=CCC=CC1 CNP0481094.0 [0,1,0,1,0,0|0,0,2]=4 966 B7R1.3 CC1=CCCCC1 CNP0369235.0 [0,1,0,1,0,0|0,0,2]=4 967 B7R1.3 CC1CCCCC1 CNP0191222.0 [0,1,0,1,0,0|0,0,2]=4 968 B7R1.3 CC1CCCCO1 CNP0292894.0 [0,1,0,1,0,0|0,0,2]=4 969 B7R1.3 CC1CCNCC1 CNP0080033.0 [0,1,0,1,0,0|0,0,2]=4 970 B7R1.3 CC1CCOCO1 CNP0130543.0 [0,1,0,1,0,0|1,0,1]=4 971 B7R1.3 CC1SCCSS1 CNP0344509.0 [0,1,0,1,0,0|2,0,0]=4 972 B7R1.3 C[C@@H]1C=CC=CS1 CNP0200304.1 [0,1,0,1,0,0|0,0,2]=4 973 B7R1.3 C[C@@H]1CC=CCC1 CNP0110127.1 [0,1,0,1,0,0|0,0,0]=2 974 B7R1.3 C[C@@H]1CCCCN1 CNP0238241.1 [0,1,0,1,0,0|0,0,2]=4 975 B7R1.3 C[C@@H]1CCSSS1 CNP0310531.2 [0,1,0,1,0,0|2,0,0]=4 976 B7R1.3 C[C@@H]1OCCCS1 CNP0153942.1 [0,1,0,1,0,0|1,0,1]=4 977 B7R1.3 C[C@H]1C=CC=CS1 CNP0200304.2 [0,1,0,1,0,0|0,0,2]=4 978 B7R1.3 C[C@H]1CCCCN1 CNP0238241.2 [0,1,0,1,0,0|0,0,2]=4 979 B7R1.3 C[C@H]1CCSSS1 CNP0310531.1 [0,1,0,1,0,0|2,0,0]=4 980 B7R1.3 N[C@@H]1CCC=NC1 CNP0491265.1 [0,1,0,1,0,0|1,0,1]=4 981 B7R1.3 O=C1C=CCCC1 CNP0212151.0 [0,1,0,1,0,0|1,0,1]=4 982 B7R1.3 O=C1C=CCCN1 CNP0306654.0 [0,1,0,1,0,0|1,0,1]=4 983 B7R1.3 O=C1CC=CCC1 CNP0481976.0 [0,1,0,1,0,0|1,0,1]=4 984 B7R1.3 O=C1CCC=CO1 CNP0002518.0 [0,1,0,1,0,0|1,0,1]=4 985 B7R1.3 OC1=NCCC=C1 CNP0563692.0 [0,1,0,1,0,0|1,0,1]=4 986 B7R1.3 OC1CC=CCC1 CNP0198711.0 [0,1,0,1,0,0|1,0,0]=3 987 B7R1.3 O[C@@H]1C=CCCC1 CNP0239826.2 [0,1,0,1,0,0|1,0,0]=3 988 B7R1.3 O[C@H]1C=CCCC1 CNP0239826.1 [0,1,0,1,0,0|1,0,0]=3 989 B7R1.4 CC1=C(CCC1)C CNP0231911.0 [0,1,0,1,0,0|0,0,2]=4 990 B7R1.4 CC1=C(OC=C1)C CNP0003373.0 [0,1,0,1,0,0|1,0,1]=4 991 B7R1.4 CC1=C(SC=C1)C CNP0003149.0 [0,1,0,1,0,0|1,0,1]=4 992 B7R1.4 CC1=CCCC1=O CNP0196465.0 [0,1,0,1,0,0|1,0,1]=4 993 B7R1.4 CC1=NC=CN1C CNP0511652.0 [0,1,0,1,0,0|2,0,0]=4 994 B7R1.4 CC1COCC1=O CNP0611227.0 [0,1,0,1,0,0|1,0,1]=4 995 B7R1.4 CC1OCCC1O CNP0002607.0 [0,1,0,1,0,0|1,0,1]=4 996 B7R1.4 CC1OCCC1S CNP0002942.0 [0,1,0,1,0,0|1,0,1]=4 997 B7R1.4 CC1SCCC1=O CNP0395315.0 [0,1,0,1,0,0|1,0,1]=4 998 B7R1.4 CC1SCCC1O CNP0179885.0 [0,1,0,1,0,0|1,0,1]=4 999 B7R1.4 CC1SCCC1S CNP0002610.0 [0,1,0,1,0,0|1,0,1]=4 1000 B7R1.4 CN1CC=CC1=O CNP0611983.0 [0,1,0,1,0,0|1,0,1]=4 1001 B7R1.4 CN1CCCC1=O CNP0203476.0 [0,1,0,1,0,0|1,0,1]=4 1002 B7R1.4 CN1CCOC1=S CNP0208839.0 [0,1,0,1,0,0|2,0,0]=4 1003 B7R1.4 C[C@@H]1CCCC1=O CNP0165073.2 [0,1,0,1,0,0|0,0,1]=3 1004 B7R1.4 C[C@@H]1CCC[C@@H]1C CNP0306021.2 [0,1,0,1,0,0|0,0,2]=4 1005 B7R1.4 C[C@@H]1CCC[C@H]1C CNP0306021.3 [0,1,0,1,0,0|0,0,2]=4 1006 B7R1.4 C[C@@H]1CCC[C@H]1O CNP0569064.1 [0,1,0,1,0,0|0,0,2]=4 1007 B7R1.4 C[C@@H]1CCOC1=O CNP0290908.1 [0,1,0,1,0,0|1,0,0]=3 1008 B7R1.4 C[C@@H]1CSS[C@H]1C CNP0278388.1 [0,1,0,1,0,0|2,0,0]=4 1009 B7R1.4 C[C@@H]1OCCC1=O CNP0116291.1 [0,1,0,1,0,0|1,0,1]=4 1010 B7R1.4 C[C@H]1CCCC1=O CNP0165073.1 [0,1,0,1,0,0|0,0,1]=3 1011 B7R1.4 C[C@H]1CCC[C@@H]1C CNP0306021.1 [0,1,0,1,0,0|0,0,2]=4 1012 B7R1.4 C[C@H]1CCOC1=O CNP0290908.2 [0,1,0,1,0,0|1,0,0]=3 1013 B7R1.4 C[C@H]1OCCC1=O CNP0116291.2 [0,1,0,1,0,0|1,0,1]=4 1014 B7R1.4 N[C@@H]1CCOC1=O CNP0258027.3 [0,1,0,1,0,0|2,0,0]=4 1015 B7R1.4 N[C@H]1CCOC1=O CNP0258027.2 [0,1,0,1,0,0|2,0,0]=4 1016 B7R1.4 N[C@H]1CCSC1=O CNP0082695.1 [0,1,0,1,0,0|2,0,0]=4 1017 B7R1.4 O=C1CCC=C1O CNP0104225.0 [0,1,0,1,0,0|1,0,1]=4 1018 B7R1.4 O=C1NCC[C@H]1O CNP0289134.1 [0,1,0,1,0,0|2,0,0]=4 1019 B7R1.6 CCC[C@@H]1CCS1 CNP0328925.1 [0,1,0,1,0,0|0,0,2]=4 1020 B7R1.15 C[C@@H]1OC(=O)[C@@H]1N CNP0339409.1 [0,1,0,1,0,0|2,0,0]=4 1021 B7R1.22 COC(=O)C1CC1 CNP0386382.0 [0,1,0,1,0,0|1,0,0]=3 1022 B7R1.22 COC(=O)C1CS1 CNP0508742.0 [0,1,0,1,0,0|2,0,0]=4 1023 B7R1.12 CC(=O)C1C=C1C CNP0335802.0 [0,1,0,1,0,0|1,0,1]=4 1024 B7R1.17 C[C@]1(CCC1=O)O CNP0198495.1 [0,1,0,1,0,0|1,0,1]=4 1025 B7R1.23 CCC1OC1(C)C CNP0495056.0 [0,1,0,1,0,0|0,0,2]=4 1026 B7R1.7 CC=CCN1CC1 CNP0584372.0 [0,1,0,1,0,0|1,0,0]=3 1027 B7R1.14 CC1(CC=CO1)O CNP0512442.0 [0,1,0,1,0,0|1,0,0]=3 1028 B7R1.14 CC1(CCCC1)C CNP0125073.0 [0,1,0,1,0,0|0,0,2]=4 1029 B7R1.14 CC1(CCCC1)O CNP0579828.0 [0,1,0,1,0,0|0,0,2]=4 1030 B7R1.14 CC1(CCCS1)S CNP0002611.0 [0,1,0,1,0,0|1,0,1]=4 1031 B7R1.14 CC1(CCSS1)C CNP0245767.0 [0,1,0,1,0,0|1,0,1]=4 1032 B7R1.14 CC1(CSSS1)C CNP0283830.0 [0,1,0,1,0,0|2,0,0]=4 1033 B7R2.13 C1CC2CC2C1 CNP0612213.0 [0,0,0,2,0,0|0,0,2]=4 1034 B7R2.1 C1CC1=C2CC2 CNP0470938.0 [0,0,0,2,0,0|0,0,2]=4