0 B5R0.3 C=C[C@@H](O)C#N CNP0141220.1 [0,0,0,0,0,0|2,0,2]=4 1 B5R0.3 C=C[C@@H](O)CC CNP0331558.1 [0,0,0,0,0,0|2,0,1]=3 2 B5R0.3 C=C[C@H](C)CO CNP0600503.1 [0,0,0,0,0,0|2,0,1]=3 3 B5R0.3 C=C[C@H](O)C#N CNP0141220.2 [0,0,0,0,0,0|2,0,2]=4 4 B5R0.3 C=C[C@H](O)CC CNP0331558.2 [0,0,0,0,0,0|2,0,1]=3 5 B5R0.3 CC(=NO)CO CNP0284253.0 [0,0,0,0,0,0|2,0,1]=3 6 B5R0.3 CC(CO)CO CNP0282467.0 [0,0,0,0,0,0|1,0,0]=1 7 B5R0.3 CC=C(C)CO CNP0120418.0 [0,0,0,0,0,0|2,0,2]=4 8 B5R0.3 CCC(=O)CC CNP0270305.0 [0,0,0,0,0,0|2,0,2]=4 9 B5R0.3 CCC(=O)CO CNP0165007.0 [0,0,0,0,0,0|1,0,2]=3 10 B5R0.3 CCC(C)CC CNP0316485.0 [0,0,0,0,0,0|3,0,0]=3 11 B5R0.3 CCC(C)CS CNP0003009.0 [0,0,0,0,0,0|2,1,0]=3 12 B5R0.3 CCC(N)CC CNP0103985.0 [0,0,0,0,0,0|3,0,0]=3 13 B5R0.3 CCC(N)NC CNP0278870.0 [0,0,0,0,0,0|4,0,0]=4 14 B5R0.3 CCC(O)CC CNP0293075.0 [0,0,0,0,0,0|2,0,0]=2 15 B5R0.3 CCC(O)CCl CNP0366953.0 [0,0,0,0,0,0|2,0,0]=2 16 B5R0.3 CCC(O)CO CNP0534149.0 [0,0,0,0,0,0|1,0,0]=1 17 B5R0.3 CCC(S)CS CNP0197461.0 [0,0,0,0,0,0|1,2,0]=3 18 B5R0.3 CCC(S)SC CNP0609154.0 [0,0,0,0,0,0|3,1,0]=4 19 B5R0.3 CC[C@@H](C)C=O CNP0220551.2 [0,0,0,0,0,0|2,0,2]=4 20 B5R0.3 CC[C@@H](C)CO CNP0185673.1 [0,0,0,0,0,0|2,0,0]=2 21 B5R0.3 CC[C@H](C)C#N CNP0343114.1 [0,0,0,0,0,0|3,0,1]=4 22 B5R0.3 CC[C@H](C)C=O CNP0220551.1 [0,0,0,0,0,0|2,0,2]=4 23 B5R0.3 CC[C@H](C)CN CNP0233909.1 [0,0,0,0,0,0|3,0,0]=3 24 B5R0.3 CC[C@H](C)CO CNP0185673.2 [0,0,0,0,0,0|2,0,0]=2 25 B5R0.3 CC[C@H](C)NC CNP0236959.1 [0,0,0,0,0,0|4,0,0]=4 26 B5R0.3 CC[S+](C)CC CNP0038064.0 [0,0,0,0,0,0|4,0,0]=4 27 B5R0.3 CC[S](C)CC CNP0523180.0 [0,0,0,0,0,0|4,0,0]=4 28 B5R0.3 CN(C=O)CO CNP0412364.0 [0,0,0,0,0,0|2,0,2]=4 29 B5R0.3 COC(C)CO CNP0485411.0 [0,0,0,0,0,0|3,0,0]=3 30 B5R0.3 ClCC(Cl)CCl CNP0159084.0 [0,0,0,0,0,0|3,0,0]=3 31 B5R0.3 NC(CO)CO CNP0535001.0 [0,0,0,0,0,0|1,0,0]=1 32 B5R0.3 NCC(=O)NO CNP0470573.0 [0,0,0,0,0,0|2,0,2]=4 33 B5R0.3 O=C(CBr)CBr CNP0132836.0 [0,0,0,0,0,0|2,0,2]=4 34 B5R0.3 O=C(CBr)CI CNP0145168.0 [0,0,0,0,0,0|2,0,2]=4 35 B5R0.3 O=C(CCl)CBr CNP0149884.0 [0,0,0,0,0,0|2,0,2]=4 36 B5R0.3 O=C(CCl)CCl CNP0301990.0 [0,0,0,0,0,0|2,0,2]=4 37 B5R0.3 O=C(CCl)CI CNP0408833.0 [0,0,0,0,0,0|2,0,2]=4 38 B5R0.3 O=C(CO)CCl CNP0281226.0 [0,0,0,0,0,0|1,0,2]=3 39 B5R0.3 O=C(CO)CO CNP0303926.0 [0,0,0,0,0,0|0,0,2]=2 40 B5R0.3 O=CC(=CO)O CNP0278717.0 [0,0,0,0,0,0|0,0,4]=4 41 B5R0.3 O=CC(O)C=O CNP0083225.0 [0,0,0,0,0,0|0,0,4]=4 42 B5R0.3 O=C[C@H](O)CO CNP0359959.1 [0,0,0,0,0,0|0,0,2]=2 43 B5R0.3 OC(CBr)CBr CNP0017512.0 [0,0,0,0,0,0|2,0,0]=2 44 B5R0.3 OC(CCl)CCl CNP0294183.0 [0,0,0,0,0,0|2,0,0]=2 45 B5R0.3 OC(CI)CI CNP0161531.0 [0,0,0,0,0,0|2,0,0]=2 46 B5R0.3 OC(CP)CP CNP0345632.0 [0,0,0,0,0,0|2,0,0]=2 47 B5R0.3 OCC(O)CCl CNP0334066.0 [0,0,0,0,0,0|1,0,0]=1 48 B5R0.3 OCC(O)CO CNP0259986.0 [0,0,0,0,0,0|0,0,0]=0 49 B5R0.3 OC[C@@H](O)CS CNP0570311.1 [0,0,0,0,0,0|0,1,0]=1 50 B5R0.3 OC[C@@H](S)CS CNP0341544.1 [0,0,0,0,0,0|0,2,0]=2 51 B5R0.3 OC[C@H](O)CI CNP0103876.1 [0,0,0,0,0,0|1,0,0]=1 52 B5R0.3 OC[C@H](S)CS CNP0341544.2 [0,0,0,0,0,0|0,2,0]=2 53 B5R0.3 O[C@@H](CCl)CI CNP0018029.1 [0,0,0,0,0,0|2,0,0]=2 54 B5R0.3 PCC(P)CP CNP0345634.0 [0,0,0,0,0,0|3,0,0]=3 55 B5R0.3 [O]CC(=O)CCl CNP0505790.0 [0,0,0,0,0,0|1,0,3]=4 56 B4R0.1 C#CC(C)C CNP0586699.0 [1,0,0,0,0,0|2,0,1]=4 57 B4R0.1 C=C(Br)CO CNP0506207.0 [1,0,0,0,0,0|1,0,2]=4 58 B4R0.1 C=C(C)CC CNP0605035.0 [1,0,0,0,0,0|2,0,1]=4 59 B4R0.1 C=C(C)CO CNP0505353.0 [1,0,0,0,0,0|1,0,1]=3 60 B4R0.1 C=CC(C)C CNP0589769.0 [1,0,0,0,0,0|2,0,1]=4 61 B4R0.1 C=C[C@@H](C)O CNP0512445.2 [1,0,0,0,0,0|1,0,1]=3 62 B4R0.1 C=C[C@H](C)O CNP0512445.1 [1,0,0,0,0,0|1,0,1]=3 63 B4R0.1 CC(=NO)C CNP0591673.0 [1,0,0,0,0,0|2,0,1]=4 64 B4R0.1 CC(=O)CBr CNP0602861.0 [1,0,0,0,0,0|1,0,2]=4 65 B4R0.1 CC(=O)CI CNP0515381.0 [1,0,0,0,0,0|1,0,2]=4 66 B4R0.1 CC(=O)CN CNP0602829.0 [1,0,0,0,0,0|1,0,2]=4 67 B4R0.1 CC(=O)CO CNP0487266.0 [1,0,0,0,0,0|0,0,2]=3 68 B4R0.1 CC(=O)CS CNP0514893.0 [1,0,0,0,0,0|0,1,2]=4 69 B4R0.1 CC(=O)NO CNP0518042.0 [1,0,0,0,0,0|1,0,2]=4 70 B4R0.1 CC(=O)OO CNP0491052.0 [1,0,0,0,0,0|1,0,2]=4 71 B4R0.1 CC(C)C=O CNP0511471.0 [1,0,0,0,0,0|1,0,2]=4 72 B4R0.1 CC(C)C=[17O] CNP0484940.0 [1,0,0,0,0,0|1,0,2]=4 73 B4R0.1 CC(C)CN CNP0490050.0 [1,0,0,0,0,0|2,0,0]=3 74 B4R0.1 CC(C)CO CNP0493868.0 [1,0,0,0,0,0|1,0,0]=2 75 B4R0.1 CC(C)CS CNP0494383.0 [1,0,0,0,0,0|1,1,0]=3 76 B4R0.1 CC(N)C#N CNP0567528.0 [1,0,0,0,0,0|2,0,1]=4 77 B4R0.1 CC(N)C=O CNP0531209.0 [1,0,0,0,0,0|1,0,2]=4 78 B4R0.1 CC(N)CN CNP0579261.0 [1,0,0,0,0,0|2,0,0]=3 79 B4R0.1 CC(S)CS CNP0488983.0 [1,0,0,0,0,0|0,2,0]=3 80 B4R0.1 CCC(=O)C CNP0486447.0 [1,0,0,0,0,0|1,0,2]=4 81 B4R0.1 CCC(=O)O CNP0572679.0 [1,0,0,0,0,0|1,0,2]=4 82 B4R0.1 CCC(C)C CNP0492867.0 [1,0,0,0,0,0|2,0,0]=3 83 B4R0.1 CCC(C)N CNP0520467.0 [1,0,0,0,0,0|2,0,0]=3 84 B4R0.1 CCC(O)O CNP0533578.0 [1,0,0,0,0,0|1,0,0]=2 85 B4R0.1 CCC(O)S CNP0612126.0 [1,0,0,0,0,0|1,1,0]=3 86 B4R0.1 CC[C@@H](C)O CNP0577352.1 [1,0,0,0,0,0|1,0,0]=2 87 B4R0.1 CC[C@@H](C)S CNP0572211.1 [1,0,0,0,0,0|1,1,0]=3 88 B4R0.1 CC[C@H](C)O CNP0577352.2 [1,0,0,0,0,0|1,0,0]=2 89 B4R0.1 CN(O)C=S CNP0483835.0 [1,0,0,0,0,0|1,1,1]=4 90 B4R0.1 CNC(C)C CNP0489071.0 [1,0,0,0,0,0|3,0,0]=4 91 B4R0.1 CSC(C)C CNP0486491.0 [1,0,0,0,0,0|3,0,0]=4 92 B4R0.1 CSC(C)S CNP0497634.0 [1,0,0,0,0,0|2,1,0]=4 93 B4R0.1 C[C@@H](Cl)CCl CNP0573757.1 [1,0,0,0,0,0|2,0,0]=3 94 B4R0.1 C[C@@H](N)CO CNP0589695.1 [1,0,0,0,0,0|1,0,0]=2 95 B4R0.1 C[C@@H](O)C#N CNP0491457.1 [1,0,0,0,0,0|1,0,1]=3 96 B4R0.1 C[C@@H](O)C=O CNP0482941.1 [1,0,0,0,0,0|0,0,2]=3 97 B4R0.1 C[C@@H](O)CO CNP0522839.2 [1,0,0,0,0,0|0,0,0]=1 98 B4R0.1 C[C@H](N)CO CNP0589695.2 [1,0,0,0,0,0|1,0,0]=2 99 B4R0.1 C[C@H](O)C=O CNP0482941.2 [1,0,0,0,0,0|0,0,2]=3 100 B4R0.1 C[C@H](O)CBr CNP0593715.1 [1,0,0,0,0,0|1,0,0]=2 101 B4R0.1 C[C@H](O)CN CNP0571248.1 [1,0,0,0,0,0|1,0,0]=2 102 B4R0.1 C[C@H](O)CO CNP0522839.1 [1,0,0,0,0,0|0,0,0]=1 103 B4R0.1 ClCC(Cl)Cl CNP0506621.0 [1,0,0,0,0,0|3,0,0]=4 104 B4R0.1 N#C[S](O)O CNP0503923.0 [1,0,0,0,0,0|2,0,1]=4 105 B4R0.1 NC(=O)CO CNP0610142.0 [1,0,0,0,0,0|1,0,2]=4 106 B4R0.1 NCC(=O)O CNP0563879.0 [1,0,0,0,0,0|1,0,2]=4 107 B4R0.1 O=C(O)CBr CNP0605480.0 [1,0,0,0,0,0|1,0,2]=4 108 B4R0.1 O=C(O)CCl CNP0514898.0 [1,0,0,0,0,0|1,0,2]=4 109 B4R0.1 O=C(O)CI CNP0542117.0 [1,0,0,0,0,0|1,0,2]=4 110 B4R0.1 O=C(O)CO CNP0564020.0 [1,0,0,0,0,0|0,0,2]=3 111 B4R0.1 O=C(O)CS CNP0502399.0 [1,0,0,0,0,0|0,1,2]=4 112 B4R0.1 OCC(Cl)Cl CNP0479097.0 [1,0,0,0,0,0|2,0,0]=3 113 B4R0.1 O[C@@H](Cl)CBr CNP0538567.1 [1,0,0,0,0,0|2,0,0]=3 114 B4R0.2 C#CCCC CNP0510243.0 [1,0,0,0,0,0|2,0,1]=4 115 B4R0.2 C#CCCO CNP0577358.0 [1,0,0,0,0,0|1,0,1]=3 116 B4R0.2 C=CCCC CNP0529271.0 [1,0,0,0,0,0|2,0,1]=4 117 B4R0.2 C=CCCN CNP0493733.0 [1,0,0,0,0,0|2,0,1]=4 118 B4R0.2 C=CCCO CNP0599473.0 [1,0,0,0,0,0|1,0,1]=3 119 B4R0.2 C=CCSO CNP0600527.0 [1,0,0,0,0,0|2,0,1]=4 120 B4R0.2 CC=CCO CNP0498228.0 [1,0,0,0,0,0|1,0,2]=4 121 B4R0.2 CCC#CO CNP0612045.0 [1,0,0,0,0,0|1,0,2]=4 122 B4R0.2 CCC=NO CNP0599998.0 [1,0,0,0,0,0|2,0,1]=4 123 B4R0.2 CCCC=O CNP0518034.0 [1,0,0,0,0,0|1,0,2]=4 124 B4R0.2 CCCCC CNP0486380.0 [1,0,0,0,0,0|2,0,0]=3 125 B4R0.2 CCCCI CNP0558480.0 [1,0,0,0,0,0|2,0,0]=3 126 B4R0.2 CCCCN CNP0597509.0 [1,0,0,0,0,0|2,0,0]=3 127 B4R0.2 CCCCO CNP0505612.0 [1,0,0,0,0,0|1,0,0]=2 128 B4R0.2 CCCCS CNP0598878.0 [1,0,0,0,0,0|1,1,0]=3 129 B4R0.2 CCCNC CNP0599313.0 [1,0,0,0,0,0|3,0,0]=4 130 B4R0.2 CCCOC CNP0609062.0 [1,0,0,0,0,0|3,0,0]=4 131 B4R0.2 CCCSC CNP0481317.0 [1,0,0,0,0,0|3,0,0]=4 132 B4R0.2 CCCSO CNP0594110.0 [1,0,0,0,0,0|2,0,0]=3 133 B4R0.2 CCNCC CNP0491960.0 [1,0,0,0,0,0|3,0,0]=4 134 B4R0.2 CCOCC CNP0572765.0 [1,0,0,0,0,0|3,0,0]=4 135 B4R0.2 CCSCC CNP0518873.0 [1,0,0,0,0,0|3,0,0]=4 136 B4R0.2 CNCCN CNP0496542.0 [1,0,0,0,0,0|3,0,0]=4 137 B4R0.2 CNCCO CNP0513801.0 [1,0,0,0,0,0|2,0,0]=3 138 B4R0.2 COCCI CNP0495552.0 [1,0,0,0,0,0|3,0,0]=4 139 B4R0.2 COCCO CNP0561250.0 [1,0,0,0,0,0|2,0,0]=3 140 B4R0.2 COCC[Si] CNP0501162.0 [1,0,0,0,0,0|3,0,0]=4 141 B4R0.2 CSCCO CNP0574269.0 [1,0,0,0,0,0|2,0,0]=3 142 B4R0.2 N#CCCN CNP0502764.0 [1,0,0,0,0,0|2,0,1]=4 143 B4R0.2 NCCC=O CNP0502520.0 [1,0,0,0,0,0|1,0,2]=4 144 B4R0.2 NCCCN CNP0566837.0 [1,0,0,0,0,0|2,0,0]=3 145 B4R0.2 NCCCO CNP0538228.0 [1,0,0,0,0,0|1,0,0]=2 146 B4R0.2 NCCCS CNP0560812.0 [1,0,0,0,0,0|1,1,0]=3 147 B4R0.2 O=CCCO CNP0525339.0 [1,0,0,0,0,0|0,0,2]=3 148 B4R0.2 OCC=CCl CNP0578872.0 [1,0,0,0,0,0|1,0,2]=4 149 B4R0.2 OCCCBr CNP0506989.0 [1,0,0,0,0,0|1,0,0]=2 150 B4R0.2 OCCCO CNP0503416.0 [1,0,0,0,0,0|0,0,0]=1 151 B4R0.2 OCCCS CNP0586497.0 [1,0,0,0,0,0|0,1,0]=2 152 B4R0.2 SCCCS CNP0528691.0 [1,0,0,0,0,0|0,2,0]=3 153 B4R0.2 [C-]#[N+]CCC CNP0525086.0 [1,0,0,0,0,0|3,0,0]=4 154 B6R0.1 C#C[C@@H](O)CCC CNP0226736.1 [0,1,0,0,0,0|2,0,1]=4 155 B6R0.1 C#C[C@H](O)CCC CNP0226736.2 [0,1,0,0,0,0|2,0,1]=4 156 B6R0.1 C=C(CO)CCO CNP0082069.0 [0,1,0,0,0,0|1,0,1]=3 157 B6R0.1 C=C[C@@H](O)CC#N CNP0276029.1 [0,1,0,0,0,0|2,0,1]=4 158 B6R0.1 C=C[C@H](O)CCC CNP0193104.1 [0,1,0,0,0,0|2,0,1]=4 159 B6R0.1 CC(=CCO)CO CNP0277047.0 [0,1,0,0,0,0|1,0,1]=3 160 B6R0.1 CCC(Br)CCBr CNP0612222.0 [0,1,0,0,0,0|3,0,0]=4 161 B6R0.1 CCC(C)C=NO CNP0605626.0 [0,1,0,0,0,0|2,0,1]=4 162 B6R0.1 CCC(C)CC=O CNP0531748.0 [0,1,0,0,0,0|2,0,1]=4 163 B6R0.1 CCC=C(C)CO CNP0511576.0 [0,1,0,0,0,0|2,0,1]=4 164 B6R0.1 CCCC(=O)CO CNP0084314.0 [0,1,0,0,0,0|1,0,2]=4 165 B6R0.1 CCC[C@@H](C)CC CNP0407855.1 [0,1,0,0,0,0|3,0,0]=4 166 B6R0.1 CCC[C@@H](C)CO CNP0356704.1 [0,1,0,0,0,0|2,0,0]=3 167 B6R0.1 CCC[C@@H](O)CC CNP0346810.2 [0,1,0,0,0,0|2,0,0]=3 168 B6R0.1 CCC[C@H](C)CC CNP0407855.2 [0,1,0,0,0,0|3,0,0]=4 169 B6R0.1 CCC[C@H](C)CO CNP0356704.2 [0,1,0,0,0,0|2,0,0]=3 170 B6R0.1 CCC[C@H](O)CC CNP0346810.1 [0,1,0,0,0,0|2,0,0]=3 171 B6R0.1 CCOC(C)CC CNP0086282.0 [0,1,0,0,0,0|3,0,0]=4 172 B6R0.1 CCO[C@H](C)OO CNP0135079.1 [0,1,0,0,0,0|3,0,0]=4 173 B6R0.1 CCSC(S)CC CNP0488688.0 [0,1,0,0,0,0|2,1,0]=4 174 B6R0.1 CC[C@@H](C)CCO CNP0260863.2 [0,1,0,0,0,0|2,0,0]=3 175 B6R0.1 CC[C@H](C)CCO CNP0260863.1 [0,1,0,0,0,0|2,0,0]=3 176 B6R0.1 COC[C@@H](O)CO CNP0105123.1 [0,1,0,0,0,0|0,0,0]=1 177 B6R0.1 COC[C@H](O)CO CNP0105123.2 [0,1,0,0,0,0|0,0,0]=1 178 B6R0.1 NCC[C@@H](O)CN CNP0347226.2 [0,1,0,0,0,0|2,0,0]=3 179 B6R0.1 NCC[C@H](O)CN CNP0347226.1 [0,1,0,0,0,0|2,0,0]=3 180 B6R0.1 OCC[C@H](O)CO CNP0190269.1 [0,1,0,0,0,0|0,0,0]=1 181 B6R0.1 OCO[C@H](O)CO CNP0278922.1 [0,1,0,0,0,0|0,0,0]=1 182 B6R0.1 OC[C@@H](O)CSO CNP0536094.1 [0,1,0,0,0,0|0,0,0]=1 183 B6R0.3 CC(C)C(C)CO CNP0127606.0 [0,1,0,0,0,0|2,0,0]=3 184 B6R0.3 CC(C)[C@@H](N)CO CNP0177308.2 [0,1,0,0,0,0|2,0,0]=3 185 B6R0.3 CC(C)[C@@H](O)C#N CNP0164289.1 [0,1,0,0,0,0|2,0,1]=4 186 B6R0.3 CC(C)[C@@H](S)CO CNP0191310.1 [0,1,0,0,0,0|1,1,0]=3 187 B6R0.3 CC(C)[C@H](N)CO CNP0177308.1 [0,1,0,0,0,0|2,0,0]=3 188 B6R0.3 CC(O)C(=O)CO CNP0185354.0 [0,1,0,0,0,0|0,0,2]=3 189 B6R0.3 CCC(=O)[C@H](C)O CNP0287252.1 [0,1,0,0,0,0|1,0,2]=4 190 B6R0.3 CCC(O)C(=O)C CNP0413470.0 [0,1,0,0,0,0|1,0,2]=4 191 B6R0.3 CCC(O)C(C)C CNP0265736.0 [0,1,0,0,0,0|2,0,0]=3 192 B6R0.3 CCC(O)C(C)O CNP0519497.0 [0,1,0,0,0,0|1,0,0]=2 193 B6R0.3 CCC(S)C(C)C CNP0611989.0 [0,1,0,0,0,0|2,1,0]=4 194 B6R0.3 CC[C@@H](C)C(=O)O CNP0187792.1 [0,1,0,0,0,0|2,0,1]=4 195 B6R0.3 CC[C@@H](C)C(O)O CNP0597016.1 [0,1,0,0,0,0|2,0,0]=3 196 B6R0.3 CC[C@@H](C)[C@@H](C)O CNP0061619.1 [0,1,0,0,0,0|2,0,0]=3 197 B6R0.3 CC[C@@H](N)C(=O)O CNP0243222.1 [0,1,0,0,0,0|2,0,1]=4 198 B6R0.3 CC[C@@H](O)C(=O)C CNP0413470.1 [0,1,0,0,0,0|1,0,2]=4 199 B6R0.3 CC[C@@H](O)C(=O)O CNP0162708.1 [0,1,0,0,0,0|1,0,1]=3 200 B6R0.3 CC[C@H](C)C(=O)O CNP0187792.2 [0,1,0,0,0,0|2,0,1]=4 201 B6R0.3 CC[C@H](C)C(C)C CNP0304167.1 [0,1,0,0,0,0|3,0,0]=4 202 B6R0.3 CC[C@H](C)[C@@H](C)O CNP0061619.2 [0,1,0,0,0,0|2,0,0]=3 203 B6R0.3 CC[C@H](N)C(=O)O CNP0243222.3 [0,1,0,0,0,0|2,0,1]=4 204 B6R0.3 CC[C@H](O)C(=O)O CNP0162708.2 [0,1,0,0,0,0|1,0,1]=3 205 B6R0.3 C[C@@H](CN)C(=O)O CNP0291505.1 [0,1,0,0,0,0|2,0,1]=4 206 B6R0.3 C[C@@H](CO)C(=O)O CNP0257203.1 [0,1,0,0,0,0|1,0,1]=3 207 B6R0.3 C[C@@H](O)[C@@H](C)CO CNP0424442.1 [0,1,0,0,0,0|1,0,0]=2 208 B6R0.3 C[C@@H](O)[C@@H](O)CO CNP0199934.3 [0,1,0,0,0,0|0,0,0]=1 209 B6R0.3 C[C@@H](O)[C@H](N)C=O CNP0119001.1 [0,1,0,0,0,0|1,0,2]=4 210 B6R0.3 C[C@@H](O)[C@H](N)CO CNP0049541.1 [0,1,0,0,0,0|1,0,0]=2 211 B6R0.3 C[C@@H](O)[C@H](O)CO CNP0199934.1 [0,1,0,0,0,0|0,0,0]=1 212 B6R0.3 C[C@H](CN)C(=O)O CNP0291505.2 [0,1,0,0,0,0|2,0,1]=4 213 B6R0.3 C[C@H](CO)C(=O)O CNP0257203.2 [0,1,0,0,0,0|1,0,1]=3 214 B6R0.3 C[C@H](NO)C(=O)O CNP0221656.1 [0,1,0,0,0,0|2,0,1]=4 215 B6R0.3 C[C@H](O)[C@H](O)CO CNP0199934.2 [0,1,0,0,0,0|0,0,0]=1 216 B6R0.3 NC(=O)[C@@H](O)CO CNP0263493.1 [0,1,0,0,0,0|0,0,2]=3 217 B6R0.3 NC[C@@H](N)C(=O)O CNP0403048.1 [0,1,0,0,0,0|2,0,1]=4 218 B6R0.3 NC[C@@H](O)C(=O)O CNP0213687.1 [0,1,0,0,0,0|1,0,1]=3 219 B6R0.3 NC[C@H](N)C(=O)O CNP0403048.2 [0,1,0,0,0,0|2,0,1]=4 220 B6R0.3 N[C@@H](CO)C(=O)O CNP0275512.1 [0,1,0,0,0,0|1,0,1]=3 221 B6R0.3 N[C@@H](CS)C(=O)O CNP0280490.1 [0,1,0,0,0,0|1,1,1]=4 222 B6R0.3 N[C@@H](CS)C(=O)O CNP0543246.1 [0,1,0,0,0,0|1,1,1]=4 223 B6R0.3 N[C@@H](C[SeH])C(=O)O CNP0105616.1 [0,1,0,0,0,0|1,1,1]=4 224 B6R0.3 N[C@@H](C[Se])C(=O)O CNP0539066.1 [0,1,0,0,0,0|1,1,1]=4 225 B6R0.3 N[C@H](CCl)C(=O)O CNP0597943.1 [0,1,0,0,0,0|2,0,1]=4 226 B6R0.3 N[C@H](CO)C(=O)O CNP0275512.2 [0,1,0,0,0,0|1,0,1]=3 227 B6R0.3 N[C@H](CS)C(=O)O CNP0280490.2 [0,1,0,0,0,0|1,1,1]=4 228 B6R0.3 N[C@H](C[SeH])C(=O)O CNP0105616.2 [0,1,0,0,0,0|1,1,1]=4 229 B6R0.3 O=C(O)C(=CO)O CNP0197473.0 [0,1,0,0,0,0|0,0,3]=4 230 B6R0.3 O=C(O)C(=O)CO CNP0343498.0 [0,1,0,0,0,0|0,0,3]=4 231 B6R0.3 O=C(O)[C@@H](O)CCl CNP0460792.2 [0,1,0,0,0,0|1,0,1]=3 232 B6R0.3 O=C(O)[C@@H](O)CO CNP0264905.2 [0,1,0,0,0,0|0,0,1]=2 233 B6R0.3 O=C(O)[C@@H](O)CS CNP0083519.1 [0,1,0,0,0,0|0,1,1]=3 234 B6R0.3 O=C(O)[C@H](O)CCl CNP0460792.1 [0,1,0,0,0,0|1,0,1]=3 235 B6R0.3 O=C(O)[C@H](O)CO CNP0264905.1 [0,1,0,0,0,0|0,0,1]=2 236 B6R0.3 O=CC(O)C(=O)O CNP0083603.0 [0,1,0,0,0,0|0,0,3]=4 237 B6R0.3 OC(CCl)C(Cl)Cl CNP0323730.0 [0,1,0,0,0,0|2,0,0]=3 238 B6R0.8 C=CC(C)(O)CC CNP0352178.0 [0,1,0,0,0,0|2,0,1]=4 239 B6R0.8 CC(C)(OO)OO CNP0338983.0 [0,1,0,0,0,0|3,0,0]=4 240 B6R0.8 CC(N)(CO)CO CNP0076432.0 [0,1,0,0,0,0|1,0,0]=2 241 B6R0.8 CCC(C)(C)CC CNP0117655.0 [0,1,0,0,0,0|3,0,0]=4 242 B6R0.8 CCC(C)(O)CC CNP0314635.0 [0,1,0,0,0,0|2,0,0]=3 243 B6R0.8 CCC(C)(O)CO CNP0308368.0 [0,1,0,0,0,0|1,0,0]=2 244 B6R0.8 CC[C@@](C)(O)C#N CNP0366563.1 [0,1,0,0,0,0|2,0,1]=4 245 B6R0.8 CP(=O)(CO)CO CNP0039491.0 [0,1,0,0,0,0|1,0,1]=3 246 B6R0.9 C=C[C@@H](CC)OC CNP0276971.1 [0,1,0,0,0,0|2,0,1]=4 247 B6R0.9 CC=C(CC)CO CNP0059417.0 [0,1,0,0,0,0|2,0,1]=4 248 B6R0.9 CCC(C#N)CC CNP0152089.0 [0,1,0,0,0,0|3,0,0]=4 249 B6R0.9 CCC(C=O)CC CNP0353251.0 [0,1,0,0,0,0|2,0,1]=4 250 B6R0.9 CCC(CC)CC CNP0205695.0 [0,1,0,0,0,0|3,0,0]=4 251 B6R0.9 CCC(CC)SC CNP0410895.0 [0,1,0,0,0,0|2,1,0]=4 252 B6R0.9 CCC(OC)OC CNP0171881.0 [0,1,0,0,0,0|3,0,0]=4 253 B6R0.9 COC(CO)CO CNP0242404.0 [0,1,0,0,0,0|0,0,0]=1 254 B6R0.9 OCC(=NO)CO CNP0288617.0 [0,1,0,0,0,0|0,0,1]=2 255 B6R1.2 CC1C=COC1 CNP0165220.0 [0,0,0,1,0,0|2,0,1]=4 256 B6R1.2 CC1CCCC1 CNP0194612.0 [0,0,0,1,0,0|3,0,0]=4 257 B6R1.2 C[C@@H]1CCSC1 CNP0174337.1 [0,0,0,1,0,0|2,1,0]=4 258 B6R1.2 O=C1CCOC1 CNP0051503.0 [0,0,0,1,0,0|1,0,2]=4 259 B6R1.2 OC1=NOCC1 CNP0504784.0 [0,0,0,1,0,0|2,0,1]=4 260 B6R1.2 OC1CCCC1 CNP0085994.0 [0,0,0,1,0,0|2,0,0]=3 261 B6R1.2 OC1CSSC1 CNP0317557.0 [0,0,0,1,0,0|0,2,0]=3 262 B6R1.2 O[C@H]1CNOC1 CNP0590444.1 [0,0,0,1,0,0|1,0,0]=2 263 B6R1.2 SC1CCCC1 CNP0280825.0 [0,0,0,1,0,0|2,1,0]=4 264 B6R1.4 C[C@H]1CS[C@@H]1C CNP0207395.1 [0,0,0,1,0,0|2,1,0]=4 265 B6R1.6 OCC1C=CC1 CNP0202846.0 [0,0,0,1,0,0|2,0,0]=3 266 B6R1.8 CC[C@@H]1C[C@@H]1C CNP0076250.1 [0,0,0,1,0,0|3,0,0]=4 267 B6R1.8 O=C1CC1CO CNP0073765.0 [0,0,0,1,0,0|1,0,2]=4 268 B3R0.1 BrCCBr CNP0591557.0 [2,0,0,0,0,0|2,0,0]=4 269 B3R0.1 BrCCI CNP0495630.0 [2,0,0,0,0,0|2,0,0]=4 270 B3R0.1 C#CCC CNP0509561.0 [2,0,0,0,0,0|1,0,1]=4 271 B3R0.1 C#CCO CNP0488604.0 [2,0,0,0,0,0|0,0,2]=4 272 B3R0.1 C#[N+]CC CNP0559170.0 [2,0,0,0,0,0|2,0,0]=4 273 B3R0.1 C=CCC CNP0490956.0 [2,0,0,0,0,0|1,0,1]=4 274 B3R0.1 C=CCO CNP0561492.0 [2,0,0,0,0,0|0,0,2]=4 275 B3R0.1 CC=NO CNP0512137.0 [2,0,0,0,0,0|1,0,1]=4 276 B3R0.1 CCC#N CNP0564998.0 [2,0,0,0,0,0|1,0,1]=4 277 B3R0.1 CCC=O CNP0570013.0 [2,0,0,0,0,0|0,0,2]=4 278 B3R0.1 CCC=S CNP0546828.0 [2,0,0,0,0,0|0,1,1]=4 279 B3R0.1 CCCBr CNP0561445.0 [2,0,0,0,0,0|1,0,0]=3 280 B3R0.1 CCCC CNP0597736.0 [2,0,0,0,0,0|1,0,0]=3 281 B3R0.1 CCCI CNP0596010.0 [2,0,0,0,0,0|1,0,0]=3 282 B3R0.1 CCCN CNP0600530.0 [2,0,0,0,0,0|1,0,0]=3 283 B3R0.1 CCCO CNP0605151.0 [2,0,0,0,0,0|0,0,0]=2 284 B3R0.1 CCCS CNP0572992.0 [2,0,0,0,0,0|0,1,0]=3 285 B3R0.1 CCN=O CNP0552947.0 [2,0,0,0,0,0|1,0,1]=4 286 B3R0.1 CCNC CNP0563252.0 [2,0,0,0,0,0|2,0,0]=4 287 B3R0.1 CCOC CNP0484105.0 [2,0,0,0,0,0|2,0,0]=4 288 B3R0.1 CCOO CNP0591807.0 [2,0,0,0,0,0|1,0,0]=3 289 B3R0.1 CCSC CNP0596541.0 [2,0,0,0,0,0|2,0,0]=4 290 B3R0.1 CCSO CNP0559716.0 [2,0,0,0,0,0|1,0,0]=3 291 B3R0.1 ClCCBr CNP0493040.0 [2,0,0,0,0,0|2,0,0]=4 292 B3R0.1 ClCCCl CNP0592018.0 [2,0,0,0,0,0|2,0,0]=4 293 B3R0.1 NCCN CNP0531974.0 [2,0,0,0,0,0|2,0,0]=4 294 B3R0.1 NCCO CNP0581653.0 [2,0,0,0,0,0|1,0,0]=3 295 B3R0.1 NCCS CNP0490978.0 [2,0,0,0,0,0|1,1,0]=4 296 B3R0.1 NCC[O] CNP0586934.0 [2,0,0,0,0,0|1,0,1]=4 297 B3R0.1 O=CCO CNP0600524.0 [2,0,0,0,0,0|0,0,2]=4 298 B3R0.1 OC=CO CNP0508859.0 [2,0,0,0,0,0|0,0,2]=4 299 B3R0.1 OCCCl CNP0532317.0 [2,0,0,0,0,0|1,0,0]=3 300 B3R0.1 OCCI CNP0489668.0 [2,0,0,0,0,0|1,0,0]=3 301 B3R0.1 OCCO CNP0484938.0 [2,0,0,0,0,0|0,0,0]=2 302 B3R0.1 OCCS CNP0576505.0 [2,0,0,0,0,0|0,1,0]=3 303 B3R0.1 SCCS CNP0506336.0 [2,0,0,0,0,0|0,2,0]=4 304 B3R0.2 C=C(C)C CNP0512482.0 [2,0,0,0,0,0|1,0,1]=4 305 B3R0.2 C=C(C)O CNP0514997.0 [2,0,0,0,0,0|0,0,2]=4 306 B3R0.2 CC(=O)C CNP0572494.0 [2,0,0,0,0,0|0,0,2]=4 307 B3R0.2 CC(=O)O CNP0495539.0 [2,0,0,0,0,0|0,0,2]=4 308 B3R0.2 CC(C)C CNP0580677.0 [2,0,0,0,0,0|1,0,0]=3 309 B3R0.2 CC(C)I CNP0515098.0 [2,0,0,0,0,0|1,0,0]=3 310 B3R0.2 CC(C)N CNP0574231.0 [2,0,0,0,0,0|1,0,0]=3 311 B3R0.2 CC(C)O CNP0603430.0 [2,0,0,0,0,0|0,0,0]=2 312 B3R0.2 CC(C)S CNP0483016.0 [2,0,0,0,0,0|0,1,0]=3 313 B3R0.2 CN(C)C CNP0522907.0 [2,0,0,0,0,0|2,0,0]=4 314 B3R0.2 CN(C)N CNP0573264.0 [2,0,0,0,0,0|2,0,0]=4 315 B3R0.2 CP(=O)O CNP0480086.0 [2,0,0,0,0,0|1,0,1]=4 316 B3R0.2 CP(C)C CNP0586622.0 [2,0,0,0,0,0|2,0,0]=4 317 B3R0.2 CS(=S)O CNP0609306.0 [2,0,0,0,0,0|1,1,0]=4 318 B3R0.2 C[As](C)C CNP0539997.0 [2,0,0,0,0,0|2,0,0]=4 319 B3R0.2 C[As](C)O CNP0541907.0 [2,0,0,0,0,0|1,0,0]=3 320 B3R0.2 C[As](O)O CNP0579708.0 [2,0,0,0,0,0|1,0,0]=3 321 B3R0.2 C[S+](C)C CNP0555694.0 [2,0,0,0,0,0|2,0,0]=4 322 B3R0.2 C[S+](C)[O-] CNP0499675.0 [2,0,0,0,0,0|1,0,1]=4 323 B3R0.2 C[Se+](C)C CNP0504179.0 [2,0,0,0,0,0|2,0,0]=4 324 B3R0.2 C[SeH2](=[Se])C CNP0610734.0 [2,0,0,0,0,0|1,1,0]=4 325 B3R0.2 C[SeH](C)[SeH] CNP0608908.0 [2,0,0,0,0,0|1,1,0]=4 326 B3R0.2 C[Se](=O)O CNP0501647.0 [2,0,0,0,0,0|1,0,1]=4 327 B3R0.2 O=C(O)O CNP0491655.0 [2,0,0,0,0,0|0,0,2]=4 328 B3R0.2 O=P(O)O CNP0517495.0 [2,0,0,0,0,0|1,0,1]=4 329 B3R0.2 O=S(O)O CNP0520227.0 [2,0,0,0,0,0|1,0,1]=4 330 B3R0.2 O=[Mo+6](O)O CNP0512146.0 [2,0,0,0,0,0|1,0,1]=4 331 B3R0.2 O=[Se](O)O CNP0605088.0 [2,0,0,0,0,0|1,0,1]=4 332 B3R0.2 O=[Si](O)O CNP0567325.0 [2,0,0,0,0,0|0,1,1]=4 333 B3R0.2 OB(O)O CNP0568939.0 [2,0,0,0,0,0|1,0,0]=3 334 B3R0.2 OC(O)O CNP0594478.0 [2,0,0,0,0,0|0,0,0]=2 335 B3R0.2 O[As](O)O CNP0559543.0 [2,0,0,0,0,0|1,0,0]=3 336 B3R0.2 O[Sb](O)O CNP0536687.0 [2,0,0,0,0,0|1,0,0]=3 337 B3R0.2 O[Zn-](O)O CNP0493920.0 [2,0,0,0,0,0|1,0,0]=3 338 B3R0.2 [CH2]C(C)C CNP0571096.0 [2,0,0,0,0,0|1,0,0]=3 339 B5R0.1 C=C(C)CCO CNP0285127.0 [1,1,0,0,0,0|1,0,1]=4 340 B5R0.1 C=CCC(C)C CNP0293683.0 [1,1,0,0,0,0|2,0,0]=4 341 B5R0.1 C=CCC(C)O CNP0594112.0 [1,1,0,0,0,0|1,0,0]=3 342 B5R0.1 CC(=CCO)C CNP0241702.0 [1,1,0,0,0,0|1,0,1]=4 343 B5R0.1 CC(=O)CCO CNP0251527.0 [1,1,0,0,0,0|0,0,2]=4 344 B5R0.1 CC(C)C=CO CNP0546358.0 [1,1,0,0,0,0|1,0,1]=4 345 B5R0.1 CC(C)C=NO CNP0180575.0 [1,1,0,0,0,0|1,0,1]=4 346 B5R0.1 CC(C)CC#N CNP0003467.0 [1,1,0,0,0,0|2,0,0]=4 347 B5R0.1 CC(C)CC=O CNP0200023.0 [1,1,0,0,0,0|1,0,1]=4 348 B5R0.1 CC(C)CCN CNP0107663.0 [1,1,0,0,0,0|2,0,0]=4 349 B5R0.1 CC(C)CCO CNP0115711.0 [1,1,0,0,0,0|1,0,0]=3 350 B5R0.1 CC(C)CCS CNP0222694.0 [1,1,0,0,0,0|1,1,0]=4 351 B5R0.1 CC(C)CNO CNP0343206.0 [1,1,0,0,0,0|1,0,0]=3 352 B5R0.1 CC(O)CCS CNP0002409.0 [1,1,0,0,0,0|0,1,0]=3 353 B5R0.1 CC(S)CCS CNP0003105.0 [1,1,0,0,0,0|0,2,0]=4 354 B5R0.1 CC=CC(C)O CNP0150168.0 [1,1,0,0,0,0|1,0,1]=4 355 B5R0.1 CCC=C(C)O CNP0225775.0 [1,1,0,0,0,0|1,0,1]=4 356 B5R0.1 CCCC(C)C CNP0319065.0 [1,1,0,0,0,0|2,0,0]=4 357 B5R0.1 CCCC(C)S CNP0029638.0 [1,1,0,0,0,0|1,1,0]=4 358 B5R0.1 CCCC(O)O CNP0076336.0 [1,1,0,0,0,0|1,0,0]=3 359 B5R0.1 CCC[C@@H](C)O CNP0287976.1 [1,1,0,0,0,0|1,0,0]=3 360 B5R0.1 CCC[C@H](C)O CNP0287976.2 [1,1,0,0,0,0|1,0,0]=3 361 B5R0.1 CCOC(C)C CNP0604172.0 [1,1,0,0,0,0|2,0,0]=4 362 B5R0.1 CCSC(C)C CNP0254931.0 [1,1,0,0,0,0|2,0,0]=4 363 B5R0.1 CCSC(C)S CNP0579398.0 [1,1,0,0,0,0|1,1,0]=4 364 B5R0.1 CN(C)CCO CNP0230038.0 [1,1,0,0,0,0|2,0,0]=4 365 B5R0.1 CNCC(C)C CNP0273998.0 [1,1,0,0,0,0|2,0,0]=4 366 B5R0.1 COCC(=O)C CNP0581024.0 [1,1,0,0,0,0|0,0,2]=4 367 B5R0.1 COCC(=O)O CNP0343219.0 [1,1,0,0,0,0|0,0,2]=4 368 B5R0.1 COCC(C)C CNP0528468.0 [1,1,0,0,0,0|1,0,0]=3 369 B5R0.1 CSCC(C)C CNP0405087.0 [1,1,0,0,0,0|1,1,0]=4 370 B5R0.1 C[C@@H](O)CC#N CNP0115714.1 [1,1,0,0,0,0|1,0,0]=3 371 B5R0.1 C[C@@H](O)CC=O CNP0197470.1 [1,1,0,0,0,0|0,0,1]=3 372 B5R0.1 C[C@@H](O)CCO CNP0110972.2 [1,1,0,0,0,0|0,0,0]=2 373 B5R0.1 C[C@H](O)CCO CNP0110972.1 [1,1,0,0,0,0|0,0,0]=2 374 B5R0.1 C[N+](=NCO)[O-] CNP0075707.0 [1,1,0,0,0,0|1,0,1]=4 375 B5R0.1 NOCC(=O)O CNP0293826.0 [1,1,0,0,0,0|0,0,2]=4 376 B5R0.1 O=C(O)CCO CNP0228379.0 [1,1,0,0,0,0|0,0,2]=4 377 B5R0.1 O=C(O)CNO CNP0316873.0 [1,1,0,0,0,0|0,0,2]=4 378 B5R0.4 C#CC(C)(C)O CNP0277501.0 [1,1,0,0,0,0|1,0,1]=4 379 B5R0.4 C=CC(C)(C)O CNP0337361.0 [1,1,0,0,0,0|1,0,1]=4 380 B5R0.4 CC(C)(C)OO CNP0609042.0 [1,1,0,0,0,0|2,0,0]=4 381 B5R0.4 CC(C)(O)C#N CNP0157587.0 [1,1,0,0,0,0|1,0,1]=4 382 B5R0.4 CC(C)(O)C=O CNP0300882.0 [1,1,0,0,0,0|0,0,2]=4 383 B5R0.4 CC(C)(O)CN CNP0332905.0 [1,1,0,0,0,0|1,0,0]=3 384 B5R0.4 CC(C)(O)CO CNP0307478.0 [1,1,0,0,0,0|0,0,0]=2 385 B5R0.4 CC(C)(S)CS CNP0258725.0 [1,1,0,0,0,0|0,2,0]=4 386 B5R0.4 CCC(C)(C)C CNP0113159.0 [1,1,0,0,0,0|2,0,0]=4 387 B5R0.4 CCC(C)(C)I CNP0076730.0 [1,1,0,0,0,0|2,0,0]=4 388 B5R0.4 CCC(C)(C)N CNP0083061.0 [1,1,0,0,0,0|2,0,0]=4 389 B5R0.4 CCC(C)(C)O CNP0239239.0 [1,1,0,0,0,0|1,0,0]=3 390 B5R0.4 CCP(=O)(O)O CNP0534713.0 [1,1,0,0,0,0|2,0,0]=4 391 B5R0.4 CP(=O)(C)CO CNP0140331.0 [1,1,0,0,0,0|1,0,1]=4 392 B5R0.4 O=P(O)(O)CO CNP0297464.0 [1,1,0,0,0,0|1,0,0]=3 393 B5R0.4 O=P(O)(O)CS CNP0479695.0 [1,1,0,0,0,0|1,1,0]=4 394 B5R0.4 O=S(=O)(O)CO CNP0319937.0 [1,1,0,0,0,0|1,0,1]=4 395 B5R0.4 OCC(Cl)(Cl)Cl CNP0418010.0 [1,1,0,0,0,0|2,0,0]=4 396 B5R0.5 C=C(C)[C@@H](C)O CNP0221154.1 [1,1,0,0,0,0|1,0,1]=4 397 B5R0.5 C=C(C)[C@H](C)O CNP0221154.2 [1,1,0,0,0,0|1,0,1]=4 398 B5R0.5 C=C(O)C(C)C CNP0150035.0 [1,1,0,0,0,0|1,0,1]=4 399 B5R0.5 CC(=O)C(O)O CNP0547141.0 [1,1,0,0,0,0|0,0,2]=4 400 B5R0.5 CC(=O)[C@@H](C)O CNP0395416.2 [1,1,0,0,0,0|0,0,2]=4 401 B5R0.5 CC(=O)[C@H](C)O CNP0395416.1 [1,1,0,0,0,0|0,0,2]=4 402 B5R0.5 CC(C)C(=O)O CNP0197560.0 [1,1,0,0,0,0|1,0,1]=4 403 B5R0.5 CC(C)C(C)C CNP0183010.0 [1,1,0,0,0,0|2,0,0]=4 404 B5R0.5 CC(C)[C@@H](C)N CNP0573557.1 [1,1,0,0,0,0|2,0,0]=4 405 B5R0.5 CC(C)[C@@H](C)O CNP0315380.1 [1,1,0,0,0,0|1,0,0]=3 406 B5R0.5 CC(C)[C@@H](C)S CNP0316317.1 [1,1,0,0,0,0|1,1,0]=4 407 B5R0.5 CC(C)[C@H](C)O CNP0315380.2 [1,1,0,0,0,0|1,0,0]=3 408 B5R0.5 CC(O)C(=O)[O-] CNP0519619.0 [1,1,0,0,0,0|0,0,2]=4 409 B5R0.5 CC(O)C(=O)[O-] CNP0556254.0 [1,1,0,0,0,0|0,0,2]=4 410 B5R0.5 CC(O)C(=O)[O-] CNP0561690.0 [1,1,0,0,0,0|0,0,2]=4 411 B5R0.5 CC(O)C(=O)[O-] CNP0579849.0 [1,1,0,0,0,0|0,0,2]=4 412 B5R0.5 CC(O)C(=O)[O-] CNP0592207.0 [1,1,0,0,0,0|0,0,2]=4 413 B5R0.5 CC(O)C(C)S CNP0002511.0 [1,1,0,0,0,0|0,1,0]=3 414 B5R0.5 CC(S)C(C)S CNP0003531.0 [1,1,0,0,0,0|0,2,0]=4 415 B5R0.5 C[C@@H](N)C(=O)O CNP0313085.2 [1,1,0,0,0,0|1,0,1]=4 416 B5R0.5 C[C@@H](O)C(=O)O CNP0232038.2 [1,1,0,0,0,0|0,0,1]=3 417 B5R0.5 C[C@@H](O)[C@@H](C)O CNP0115674.2 [1,1,0,0,0,0|0,0,0]=2 418 B5R0.5 C[C@H](N)C(=O)O CNP0313085.1 [1,1,0,0,0,0|1,0,1]=4 419 B5R0.5 C[C@H](O)C(=O)O CNP0232038.1 [1,1,0,0,0,0|0,0,1]=3 420 B5R0.5 C[C@H](O)C(Br)Br CNP0106114.1 [1,1,0,0,0,0|1,0,0]=3 421 B5R0.5 C[C@H](O)[C@@H](C)O CNP0115674.1 [1,1,0,0,0,0|0,0,0]=2 422 B5R0.5 C[C@H](O)[C@H](C)O CNP0115674.3 [1,1,0,0,0,0|0,0,0]=2 423 B5R0.5 C[C@H](S)C(=O)O CNP0223404.1 [1,1,0,0,0,0|0,1,1]=4 424 B5R0.5 N[C@H](O)C(=O)O CNP0294076.1 [1,1,0,0,0,0|0,0,2]=4 425 B5R0.5 O=C(O)C(O)O CNP0603869.0 [1,1,0,0,0,0|0,0,1]=3 426 B5R0.5 OP(O)P(O)O CNP0550617.0 [1,1,0,0,0,0|2,0,0]=4 427 B5R0.2 C=CCCCC CNP0264947.0 [1,1,0,0,0,0|2,0,0]=4 428 B5R0.2 C=CCCCO CNP0003396.0 [1,1,0,0,0,0|1,0,0]=3 429 B5R0.2 CC#CCCO CNP0515871.0 [1,1,0,0,0,0|1,0,1]=4 430 B5R0.2 CC=CCCO CNP0253382.0 [1,1,0,0,0,0|1,0,1]=4 431 B5R0.2 CCC#CCO CNP0076027.0 [1,1,0,0,0,0|1,0,1]=4 432 B5R0.2 CCC=CCO CNP0239009.0 [1,1,0,0,0,0|1,0,1]=4 433 B5R0.2 CCCC=CO CNP0247153.0 [1,1,0,0,0,0|1,0,1]=4 434 B5R0.2 CCCC=NO CNP0071145.0 [1,1,0,0,0,0|1,0,1]=4 435 B5R0.2 CCCCC#N CNP0357663.0 [1,1,0,0,0,0|2,0,0]=4 436 B5R0.2 CCCCC=O CNP0361186.0 [1,1,0,0,0,0|1,0,1]=4 437 B5R0.2 CCCCCBr CNP0018690.0 [1,1,0,0,0,0|2,0,0]=4 438 B5R0.2 CCCCCC CNP0269021.0 [1,1,0,0,0,0|2,0,0]=4 439 B5R0.2 CCCCCI CNP0017763.0 [1,1,0,0,0,0|2,0,0]=4 440 B5R0.2 CCCCCN CNP0203183.0 [1,1,0,0,0,0|2,0,0]=4 441 B5R0.2 CCCCCO CNP0244882.0 [1,1,0,0,0,0|1,0,0]=3 442 B5R0.2 CCCCCS CNP0260876.0 [1,1,0,0,0,0|1,1,0]=4 443 B5R0.2 CCCCNC CNP0277639.0 [1,1,0,0,0,0|2,0,0]=4 444 B5R0.2 CCCCOC CNP0609033.0 [1,1,0,0,0,0|1,0,0]=3 445 B5R0.2 CCCCSC CNP0562965.0 [1,1,0,0,0,0|1,1,0]=4 446 B5R0.2 CCCC[S+]=O CNP0521772.0 [1,1,0,0,0,0|1,0,1]=4 447 B5R0.2 CCCSCC CNP0316215.0 [1,1,0,0,0,0|2,0,0]=4 448 B5R0.2 CCNCCN CNP0281269.0 [1,1,0,0,0,0|2,0,0]=4 449 B5R0.2 CCNCCO CNP0396370.0 [1,1,0,0,0,0|1,0,0]=3 450 B5R0.2 CCOCCO CNP0319988.0 [1,1,0,0,0,0|1,0,0]=3 451 B5R0.2 CCSCCN CNP0506731.0 [1,1,0,0,0,0|2,0,0]=4 452 B5R0.2 COCCOC CNP0144142.0 [1,1,0,0,0,0|2,0,0]=4 453 B5R0.2 CSCCCN CNP0348726.0 [1,1,0,0,0,0|1,1,0]=4 454 B5R0.2 CSCCCO CNP0359993.0 [1,1,0,0,0,0|0,1,0]=3 455 B5R0.2 N#CCCCO CNP0358912.0 [1,1,0,0,0,0|1,0,0]=3 456 B5R0.2 NCCCC=O CNP0359033.0 [1,1,0,0,0,0|1,0,1]=4 457 B5R0.2 NCCCCN CNP0116270.0 [1,1,0,0,0,0|2,0,0]=4 458 B5R0.2 NCCCCO CNP0514594.0 [1,1,0,0,0,0|1,0,0]=3 459 B5R0.2 OCC=CCO CNP0296138.0 [1,1,0,0,0,0|0,0,1]=3 460 B5R0.2 OCCCCBr CNP0083982.0 [1,1,0,0,0,0|1,0,0]=3 461 B5R0.2 OCCCCCl CNP0079807.0 [1,1,0,0,0,0|1,0,0]=3 462 B5R0.2 OCCCCO CNP0080008.0 [1,1,0,0,0,0|0,0,0]=2 463 B5R0.2 [C-]#[N+]CCCC CNP0522879.0 [1,1,0,0,0,0|2,0,0]=4 464 B7R0.2 C=C[C@H](O)CC(=O)O CNP0357372.1 [0,2,0,0,0,0|1,0,1]=4 465 B7R0.2 CC(C)C[C@@H](N)CO CNP0295420.1 [0,2,0,0,0,0|2,0,0]=4 466 B7R0.2 CC(C)C[C@H](N)CO CNP0295420.2 [0,2,0,0,0,0|2,0,0]=4 467 B7R0.2 CC(CO)CC(=O)O CNP0350905.0 [0,2,0,0,0,0|1,0,0]=3 468 B7R0.2 CC[C@@H](C)CC(=O)O CNP0258429.2 [0,2,0,0,0,0|2,0,0]=4 469 B7R0.2 CC[C@H](C)CC(=O)O CNP0258429.1 [0,2,0,0,0,0|2,0,0]=4 470 B7R0.2 CC[C@H](O)CC(=O)N CNP0018371.1 [0,2,0,0,0,0|1,0,1]=4 471 B7R0.2 CC[C@H](O)CC(=O)O CNP0308552.1 [0,2,0,0,0,0|1,0,0]=3 472 B7R0.2 CC[C@H](O)C[N+](=O)[O-] CNP0493825.1 [0,2,0,0,0,0|1,0,1]=4 473 B7R0.2 NC[C@@H](N)CC(=O)O CNP0190172.1 [0,2,0,0,0,0|2,0,0]=4 474 B7R0.2 NC[C@@H](O)CC(=O)O CNP0335183.1 [0,2,0,0,0,0|1,0,0]=3 475 B7R0.2 NC[C@H](N)CC(=O)O CNP0190172.2 [0,2,0,0,0,0|2,0,0]=4 476 B7R0.2 NC[C@H](O)CC(=O)O CNP0335183.2 [0,2,0,0,0,0|1,0,0]=3 477 B7R0.2 N[C@@H](CS)CC(=O)O CNP0534853.1 [0,2,0,0,0,0|1,1,0]=4 478 B7R0.2 N[C@H](CO)CC(=O)O CNP0415784.1 [0,2,0,0,0,0|1,0,0]=3 479 B7R0.2 O=C(O)C[C@H](O)CO CNP0269358.1 [0,2,0,0,0,0|0,0,0]=2 480 B7R0.3 CCC(C)CCCO CNP0251541.0 [0,2,0,0,0,0|2,0,0]=4 481 B7R0.3 CCCCC(C)CO CNP0563062.0 [0,2,0,0,0,0|2,0,0]=4 482 B7R0.3 CCCCC(O)CO CNP0481107.0 [0,2,0,0,0,0|1,0,0]=3 483 B7R0.3 CCCC[C@H](C)CO CNP0563062.1 [0,2,0,0,0,0|2,0,0]=4 484 B7R0.3 CCCC[C@H](O)CC CNP0102609.1 [0,2,0,0,0,0|2,0,0]=4 485 B7R0.3 CC[C@@H](O)/C=C\CO CNP0000045.1 [0,2,0,0,0,0|1,0,0]=3 486 B7R0.3 CC[C@@H](O)C#CCO CNP0328022.1 [0,2,0,0,0,0|1,0,0]=3 487 B7R0.3 CC[C@H](O)C#CCO CNP0328022.2 [0,2,0,0,0,0|1,0,0]=3 488 B7R0.3 CC[C@H](O)CSC#N CNP0143316.1 [0,2,0,0,0,0|1,1,0]=4 489 B7R0.3 COCC=C(C)CO CNP0311126.0 [0,2,0,0,0,0|1,0,1]=4 490 B7R0.3 CON=CC(O)CO CNP0082054.0 [0,2,0,0,0,0|0,0,1]=3 491 B7R0.3 CSCC[C@@H](N)CO CNP0371110.2 [0,2,0,0,0,0|1,1,0]=4 492 B7R0.3 CSCC[C@H](N)CO CNP0371110.1 [0,2,0,0,0,0|1,1,0]=4 493 B7R0.3 NC[C@@H](O)CC=C=O CNP0374257.1 [0,2,0,0,0,0|1,0,1]=4 494 B7R0.5 CC(C)C(S)CCO CNP0529625.0 [0,2,0,0,0,0|1,1,0]=4 495 B7R0.5 CCC[C@H](O)C(=O)O CNP0107771.1 [0,2,0,0,0,0|1,0,1]=4 496 B7R0.5 NOCC(N)C(=O)O CNP0338620.0 [0,2,0,0,0,0|1,0,1]=4 497 B7R0.5 N[C@@H](CCO)C(=O)O CNP0287745.2 [0,2,0,0,0,0|1,0,1]=4 498 B7R0.5 N[C@@H](CSO)C(=O)O CNP0559160.1 [0,2,0,0,0,0|1,0,1]=4 499 B7R0.5 N[C@H](CCO)C(=O)O CNP0287745.3 [0,2,0,0,0,0|1,0,1]=4 500 B7R0.5 O=C(O)C(O)CCO CNP0218005.0 [0,2,0,0,0,0|0,0,1]=3 501 B7R0.7 CCCC(O)CCC CNP0407378.0 [0,2,0,0,0,0|2,0,0]=4 502 B7R0.7 CCC[C@@H](C)CCO CNP0076379.1 [0,2,0,0,0,0|2,0,0]=4 503 B7R0.7 CCC[C@@H](S)CCO CNP0156811.1 [0,2,0,0,0,0|1,1,0]=4 504 B7R0.7 CCC[C@H](C)CCO CNP0076379.2 [0,2,0,0,0,0|2,0,0]=4 505 B7R0.7 CCC[C@H](S)CCO CNP0156811.2 [0,2,0,0,0,0|1,1,0]=4 506 B7R0.7 COCC(O)COC CNP0241402.0 [0,2,0,0,0,0|0,0,0]=2 507 B7R0.7 OCCC(O)CCO CNP0198973.0 [0,2,0,0,0,0|0,0,0]=2 508 B7R0.7 [O-][S+](CCO)CCO CNP0606218.0 [0,2,0,0,0,0|1,0,1]=4 509 B7R0.10 C=C(CO)[C@@H](O)CO CNP0158092.2 [0,2,0,0,0,0|0,0,0]=2 510 B7R0.10 C=C(CO)[C@H](O)C#N CNP0207972.1 [0,2,0,0,0,0|1,0,1]=4 511 B7R0.10 C=C(CO)[C@H](O)CO CNP0158092.1 [0,2,0,0,0,0|0,0,0]=2 512 B7R0.10 CCC(O)C(=O)OC CNP0611994.0 [0,2,0,0,0,0|1,0,1]=4 513 B7R0.10 CCC(S)C(C)CO CNP0361612.0 [0,2,0,0,0,0|1,1,0]=4 514 B7R0.10 CC[C@@H](O)[C@@H](C)CC CNP0328845.1 [0,2,0,0,0,0|2,0,0]=4 515 B7R0.10 CC[C@H](C)[C@H](N)CO CNP0145696.1 [0,2,0,0,0,0|2,0,0]=4 516 B7R0.10 COC(=O)C(C)CO CNP0487988.0 [0,2,0,0,0,0|1,0,1]=4 517 B7R0.10 COC(=O)[C@@H](N)CO CNP0398727.2 [0,2,0,0,0,0|1,0,1]=4 518 B7R0.10 COC(=O)[C@@H](O)CO CNP0269483.1 [0,2,0,0,0,0|0,0,1]=3 519 B7R0.10 COC(=O)[C@H](O)CO CNP0269483.2 [0,2,0,0,0,0|0,0,1]=3 520 B7R0.10 C[C@@H](CO)/[N+](=N\O)/[O-] CNP0110510.1 [0,2,0,0,0,0|2,0,0]=4 521 B7R0.10 C[C@H](CO)N(O)N=O CNP0202103.1 [0,2,0,0,0,0|2,0,0]=4 522 B7R0.10 N=CC(O)C(O)CO CNP0082119.0 [0,2,0,0,0,0|0,0,0]=2 523 B7R0.10 N[C@@H](C=O)[C@@H](O)CO CNP0312963.1 [0,2,0,0,0,0|0,0,1]=3 524 B7R0.10 O=C(CO)[C@@H](O)CO CNP0200270.1 [0,2,0,0,0,0|0,0,0]=2 525 B7R0.10 O=C(CO)[C@H](O)CO CNP0200270.2 [0,2,0,0,0,0|0,0,0]=2 526 B7R0.10 O=C[C@H](O)[C@H](O)CO CNP0166180.1 [0,2,0,0,0,0|0,0,0]=2 527 B7R0.10 OC[C@@H](O)[C@@H](O)CO CNP0150660.1 [0,2,0,0,0,0|0,0,0]=2 528 B7R0.10 OC[C@@H](O)[C@H](O)CO CNP0150660.2 [0,2,0,0,0,0|0,0,0]=2 529 B7R0.10 OC[C@H](O)[C@@H](O)CO CNP0150660.3 [0,2,0,0,0,0|0,0,0]=2 530 B7R0.10 O[C@@H](CS)[C@@H](O)CS CNP0085649.2 [0,2,0,0,0,0|0,1,0]=3 531 B7R0.10 O[C@H](CS)[C@@H](O)CS CNP0085649.1 [0,2,0,0,0,0|0,1,0]=3 532 B7R0.10 O[C@H](CS)[C@H](O)CS CNP0085649.3 [0,2,0,0,0,0|0,1,0]=3 533 B7R0.11 CCCC(C)(O)CC CNP0493821.0 [0,2,0,0,0,0|2,0,0]=4 534 B7R0.12 COC[C@H](CO)OC CNP0279745.1 [0,2,0,0,0,0|0,0,0]=2 535 B7R0.12 N#CC=C(CO)CO CNP0217977.0 [0,2,0,0,0,0|1,0,1]=4 536 B7R0.12 O=COC(CO)CO CNP0272402.0 [0,2,0,0,0,0|0,0,0]=2 537 B7R0.13 CC(C)(CO)C(=O)O CNP0611685.0 [0,2,0,0,0,0|1,0,1]=4 538 B7R0.13 CC(O)(CO)C(=O)O CNP0027858.0 [0,2,0,0,0,0|0,0,1]=3 539 B7R0.13 CC[C@@](C)(O)C(=O)O CNP0382124.1 [0,2,0,0,0,0|1,0,1]=4 540 B7R0.13 CC[C@](C)(O)C(=O)O CNP0382124.2 [0,2,0,0,0,0|1,0,1]=4 541 B7R0.13 C[C@@H](O)[C@@](C)(O)CN CNP0540004.1 [0,2,0,0,0,0|1,0,0]=3 542 B7R0.13 C[C@@](N)(CO)C(=O)O CNP0259604.2 [0,2,0,0,0,0|1,0,1]=4 543 B7R0.13 C[C@](N)(CO)C(=O)O CNP0259604.1 [0,2,0,0,0,0|1,0,1]=4 544 B7R0.14 NC[C@H](O)P(=O)(O)O CNP0246536.1 [0,2,0,0,0,0|2,0,0]=4 545 B7R0.15 CCC(CC)C(=O)O CNP0174903.0 [0,2,0,0,0,0|2,0,0]=4 546 B7R0.15 CCC(CO)C(=O)O CNP0245703.0 [0,2,0,0,0,0|1,0,0]=3 547 B7R0.15 CCC(CO)[N+](=O)[O-] CNP0572380.0 [0,2,0,0,0,0|1,0,1]=4 548 B7R0.15 CN[C@@H](CO)C(=O)O CNP0106958.1 [0,2,0,0,0,0|1,0,1]=4 549 B7R0.15 CN[C@H](CO)C(=O)O CNP0106958.2 [0,2,0,0,0,0|1,0,1]=4 550 B7R0.15 NC[C@@H](CO)C(=O)O CNP0523802.1 [0,2,0,0,0,0|1,0,0]=3 551 B7R0.15 O=C(O)C(CI)CI CNP0474243.0 [0,2,0,0,0,0|2,0,0]=4 552 B7R0.15 O=C(O)C(CS)CS CNP0329155.0 [0,2,0,0,0,0|0,2,0]=4 553 B7R0.16 CC(C)C(O)C(C)C CNP0366830.0 [0,2,0,0,0,0|2,0,0]=4 554 B7R0.16 CC(C)[C@@H](O)C(=O)O CNP0267024.1 [0,2,0,0,0,0|1,0,1]=4 555 B7R0.16 CC(C)[C@H](O)C(=O)O CNP0267024.2 [0,2,0,0,0,0|1,0,1]=4 556 B7R0.16 CC(O)C(O)C(=O)N CNP0028681.0 [0,2,0,0,0,0|0,0,2]=4 557 B7R0.16 C[C@@H](O)C(N)C(=O)O CNP0361197.2 [0,2,0,0,0,0|1,0,1]=4 558 B7R0.16 C[C@@H](O)[C@@H](C)C(=O)O CNP0176980.1 [0,2,0,0,0,0|1,0,1]=4 559 B7R0.16 C[C@@H](O)[C@@H](N)C(=O)O CNP0361197.5 [0,2,0,0,0,0|1,0,1]=4 560 B7R0.16 C[C@@H](O)[C@@H](O)C(=O)O CNP0082312.1 [0,2,0,0,0,0|0,0,1]=3 561 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O CNP0361197.1 [0,2,0,0,0,0|1,0,1]=4 562 B7R0.16 C[C@@H](O)[C@H](O)C(=O)O CNP0082312.2 [0,2,0,0,0,0|0,0,1]=3 563 B7R0.16 C[C@H](C(=O)O)[C@@H](C)O CNP0176980.3 [0,2,0,0,0,0|1,0,1]=4 564 B7R0.16 C[C@H](O)[C@@H](C)C(=O)O CNP0176980.2 [0,2,0,0,0,0|1,0,1]=4 565 B7R0.16 C[C@H](O)[C@@H](N)C(=O)O CNP0361197.4 [0,2,0,0,0,0|1,0,1]=4 566 B7R0.16 C[C@H](O)[C@H](C)C(=O)O CNP0176980.4 [0,2,0,0,0,0|1,0,1]=4 567 B7R0.16 C[C@H](O)[C@H](N)C(=O)O CNP0361197.3 [0,2,0,0,0,0|1,0,1]=4 568 B7R0.16 O=C(O)C(O)C(=O)O CNP0230174.0 [0,2,0,0,0,0|0,0,2]=4 569 B7R0.16 OC(C(Cl)Cl)C(Cl)Cl CNP0147358.0 [0,2,0,0,0,0|2,0,0]=4 570 B7R0.18 C[N+](CO)(CO)CO CNP0602661.0 [0,2,0,0,0,0|1,0,0]=3 571 B7R0.18 NC(CO)(CO)CO CNP0207404.0 [0,2,0,0,0,0|0,0,0]=2 572 B7R0.18 NC(CO)(CO)CO CNP0596345.0 [0,2,0,0,0,0|0,0,0]=2 573 B7R0.18 O=P(CO)(CO)CO CNP0057905.0 [0,2,0,0,0,0|1,0,0]=3 574 B5R1.2 CC1CCC1 CNP0546383.0 [1,0,0,1,0,0|2,0,0]=4 575 B5R1.2 NC1CCC1 CNP0609061.0 [1,0,0,1,0,0|2,0,0]=4 576 B5R1.2 OC1CCC1 CNP0562500.0 [1,0,0,1,0,0|1,0,0]=3 577 B5R1.3 ClC[C@@H]1CO1 CNP0569559.2 [1,0,0,1,0,0|1,0,0]=3 578 B5R1.3 ClC[C@H]1CO1 CNP0569559.1 [1,0,0,1,0,0|1,0,0]=3 579 B5R1.3 OCC1CC1 CNP0604045.0 [1,0,0,1,0,0|1,0,0]=3 580 B5R1.3 OCC1CO1 CNP0517243.0 [1,0,0,1,0,0|0,0,0]=2 581 B5R1.4 CC1OC1C CNP0609093.0 [1,0,0,1,0,0|1,0,0]=3 582 B5R1.4 C[C@@H]1S[C@@H]1C CNP0577092.1 [1,0,0,1,0,0|1,1,0]=4 583 B5R1.5 CC1(CO1)C CNP0494243.0 [1,0,0,1,0,0|1,0,0]=3 584 B5R1.5 ClC1(CO1)Cl CNP0513034.0 [1,0,0,1,0,0|2,0,0]=4 585 B5R1.1 C1=CCCC1 CNP0534738.0 [1,0,0,1,0,0|2,0,0]=4 586 B5R1.1 C1=COCC1 CNP0540644.0 [1,0,0,1,0,0|1,0,1]=4 587 B5R1.1 C1=NCCC1 CNP0581055.0 [1,0,0,1,0,0|2,0,0]=4 588 B5R1.1 C1=PCCC1 CNP0609027.0 [1,0,0,1,0,0|2,0,0]=4 589 B5R1.1 C1CCCC1 CNP0566364.0 [1,0,0,1,0,0|2,0,0]=4 590 B5R1.1 C1CCNC1 CNP0572990.0 [1,0,0,1,0,0|2,0,0]=4 591 B5R1.1 C1CCOC1 CNP0507941.0 [1,0,0,1,0,0|1,0,0]=3 592 B5R1.1 C1CCPC1 CNP0598418.0 [1,0,0,1,0,0|2,0,0]=4 593 B5R1.1 C1CCSC1 CNP0569262.0 [1,0,0,1,0,0|1,1,0]=4 594 B5R1.1 C1COCO1 CNP0568859.0 [1,0,0,1,0,0|2,0,0]=4 595 B5R1.1 C1CSSC1 CNP0501166.0 [1,0,0,1,0,0|0,2,0]=4 596 B7R1.1 CCC1OCCO1 CNP0566823.0 [0,1,0,1,0,0|2,0,0]=4 597 B7R1.1 OC[C@@H]1CCCN1 CNP0083051.2 [0,1,0,1,0,0|2,0,0]=4 598 B7R1.1 OC[C@@H]1CCCO1 CNP0262830.1 [0,1,0,1,0,0|1,0,0]=3 599 B7R1.1 OC[C@H]1CCCN1 CNP0083051.1 [0,1,0,1,0,0|2,0,0]=4 600 B7R1.1 OC[C@H]1CCCO1 CNP0262830.2 [0,1,0,1,0,0|1,0,0]=3 601 B7R1.2 CC1CCC(C1)O CNP0608388.0 [0,1,0,1,0,0|2,0,0]=4 602 B7R1.2 C[C@@H]1COC(=O)C1 CNP0323281.1 [0,1,0,1,0,0|1,0,1]=4 603 B7R1.2 C[C@H]1COC(=O)C1 CNP0323281.2 [0,1,0,1,0,0|1,0,1]=4 604 B7R1.2 O=C1C[C@@H](CN1)O CNP0188830.1 [0,1,0,1,0,0|1,0,1]=4 605 B7R1.2 O=C1C[C@@H](CO1)O CNP0174638.1 [0,1,0,1,0,0|0,0,1]=3 606 B7R1.2 O=C1C[C@H](CN1)O CNP0188830.2 [0,1,0,1,0,0|1,0,1]=4 607 B7R1.2 O=C1C[C@H](CO1)O CNP0174638.2 [0,1,0,1,0,0|0,0,1]=3 608 B7R1.2 OC1=NC(CC1)O CNP0547002.0 [0,1,0,1,0,0|1,0,1]=4 609 B7R1.2 [O-][S@+]1C[C@@H](CS1)O CNP0533380.4 [0,1,0,1,0,0|0,1,1]=4 610 B7R1.2 [O-][S@+]1C[C@H](CS1)O CNP0533380.3 [0,1,0,1,0,0|0,1,1]=4 611 B7R1.2 [O-][S@@+]1C[C@@H](CS1)O CNP0533380.1 [0,1,0,1,0,0|0,1,1]=4 612 B7R1.2 [O-][S@@+]1C[C@H](CS1)O CNP0533380.2 [0,1,0,1,0,0|0,1,1]=4 613 B7R1.2 [O-][S@H+]1C[C@@H](CS1)O CNP0479005.2 [0,1,0,1,0,0|0,1,1]=4 614 B7R1.2 [O-][S@H+]1C[C@H](CS1)O CNP0479005.1 [0,1,0,1,0,0|0,1,1]=4 615 B7R1.3 CC1CCOCO1 CNP0130543.0 [0,1,0,1,0,0|2,0,0]=4 616 B7R1.3 OC1CC=CCC1 CNP0198711.0 [0,1,0,1,0,0|2,0,0]=4 617 B7R1.3 OC1CCCCC1 CNP0213861.0 [0,1,0,1,0,0|2,0,0]=4 618 B7R1.3 OC1COCOC1 CNP0567932.0 [0,1,0,1,0,0|0,0,0]=2 619 B7R1.4 C=C1COC[C@H]1O CNP0219379.1 [0,1,0,1,0,0|1,0,1]=4 620 B7R1.4 CC1OCCC1O CNP0002607.0 [0,1,0,1,0,0|1,0,0]=3 621 B7R1.4 CC1OCCC1S CNP0002942.0 [0,1,0,1,0,0|1,1,0]=4 622 B7R1.4 CC1SCCC1O CNP0179885.0 [0,1,0,1,0,0|1,1,0]=4 623 B7R1.4 C[C@@H]1CCC[C@H]1O CNP0569064.1 [0,1,0,1,0,0|2,0,0]=4 624 B7R1.4 N[C@@H]1CON=C1O CNP0535940.1 [0,1,0,1,0,0|1,0,1]=4 625 B7R1.4 N[C@@H]1CSC[C@@H]1O CNP0364292.4 [0,1,0,1,0,0|1,1,0]=4 626 B7R1.4 N[C@@H]1CSC[C@H]1O CNP0364292.3 [0,1,0,1,0,0|1,1,0]=4 627 B7R1.4 OC1CCCC1O CNP0519159.0 [0,1,0,1,0,0|1,0,0]=3 628 B7R1.4 O[C@@H]1COC[C@@H]1O CNP0326371.1 [0,1,0,1,0,0|0,0,0]=2 629 B7R1.4 O[C@@H]1COC[C@H]1O CNP0326371.2 [0,1,0,1,0,0|0,0,0]=2 630 B7R1.4 O[C@H]1COC[C@@H]1O CNP0326371.3 [0,1,0,1,0,0|0,0,0]=2 631 B7R1.5 CCC[C@@H]1O[C@@H]1C CNP0083069.1 [0,1,0,1,0,0|2,0,0]=4 632 B7R1.8 CCC1CCC1O CNP0521190.0 [0,1,0,1,0,0|2,0,0]=4 633 B7R1.22 OC[C@@H](O)C1OO1 CNP0531220.1 [0,1,0,1,0,0|0,0,0]=2 634 B7R1.25 CCC1(CCC1)O CNP0591933.0 [0,1,0,1,0,0|2,0,0]=4 635 B7R1.23 CCC1OC1(C)C CNP0495056.0 [0,1,0,1,0,0|2,0,0]=4 636 B7R1.14 CC1(CCCC1)O CNP0579828.0 [0,1,0,1,0,0|2,0,0]=4