0 B5R0.5 C=C(C)C(=C)C CNP0186706.0 [0,0,0,0,0,0|2,0,2]=4 1 B5R0.5 C=C(C)C(=O)C CNP0137327.0 [0,0,0,0,0,0|1,1,2]=4 2 B5R0.5 C=C(C)[C@@H](C)O CNP0221154.1 [0,0,0,0,0,0|1,1,1]=3 3 B5R0.5 C=C(C)[C@H](C)O CNP0221154.2 [0,0,0,0,0,0|1,1,1]=3 4 B5R0.5 C=C(O)C(C)C CNP0150035.0 [0,0,0,0,0,0|1,1,2]=4 5 B5R0.5 CC(=C(C)C)C CNP0192659.0 [0,0,0,0,0,0|2,0,2]=4 6 B5R0.5 CC(=C(C)O)C CNP0164530.0 [0,0,0,0,0,0|1,1,2]=4 7 B5R0.5 CC(=O)C(=O)C CNP0153215.0 [0,0,0,0,0,0|0,2,2]=4 8 B5R0.5 CC(=O)C(Br)Br CNP0186139.0 [0,0,0,0,0,0|2,1,1]=4 9 B5R0.5 CC(=O)C(C)C CNP0209504.0 [0,0,0,0,0,0|1,1,1]=3 10 B5R0.5 CC(=O)C(C)S CNP0409589.0 [0,0,0,0,0,0|0,1,1]=2 11 B5R0.5 CC(=O)C(O)O CNP0547141.0 [0,0,0,0,0,0|1,2,1]=4 12 B5R0.5 CC(=O)N(C)C CNP0083052.0 [0,0,0,0,0,0|2,1,1]=4 13 B5R0.5 CC(=O)[C@@H](C)O CNP0395416.2 [0,0,0,0,0,0|0,2,1]=3 14 B5R0.5 CC(=O)[C@H](C)O CNP0395416.1 [0,0,0,0,0,0|0,2,1]=3 15 B5R0.5 CC(C)C(=O)Cl CNP0337045.0 [0,0,0,0,0,0|2,1,1]=4 16 B5R0.5 CC(C)C(=O)N CNP0226996.0 [0,0,0,0,0,0|2,1,1]=4 17 B5R0.5 CC(C)C(=O)O CNP0197560.0 [0,0,0,0,0,0|2,1,1]=4 18 B5R0.5 CC(C)C(C)C CNP0183010.0 [0,0,0,0,0,0|2,0,0]=2 19 B5R0.5 CC(C)N(C)C CNP0419243.0 [0,0,0,0,0,0|3,0,0]=3 20 B5R0.5 CC(C)[C@@H](C)N CNP0573557.1 [0,0,0,0,0,0|2,0,0]=2 21 B5R0.5 CC(C)[C@@H](C)O CNP0315380.1 [0,0,0,0,0,0|1,1,0]=2 22 B5R0.5 CC(C)[C@@H](C)S CNP0316317.1 [0,0,0,0,0,0|1,0,0]=1 23 B5R0.5 CC(C)[C@H](C)O CNP0315380.2 [0,0,0,0,0,0|1,1,0]=2 24 B5R0.5 CC(C)[N+](=O)[O-] CNP0587963.0 [0,0,0,0,0,0|3,1,0]=4 25 B5R0.5 CC(O)C(=O)[O-] CNP0519619.0 [0,0,0,0,0,0|1,2,1]=4 26 B5R0.5 CC(O)C(=O)[O-] CNP0556254.0 [0,0,0,0,0,0|1,2,1]=4 27 B5R0.5 CC(O)C(=O)[O-] CNP0561690.0 [0,0,0,0,0,0|1,2,1]=4 28 B5R0.5 CC(O)C(=O)[O-] CNP0579849.0 [0,0,0,0,0,0|1,2,1]=4 29 B5R0.5 CC(O)C(=O)[O-] CNP0592207.0 [0,0,0,0,0,0|1,2,1]=4 30 B5R0.5 CC(O)C(C)S CNP0002511.0 [0,0,0,0,0,0|0,1,0]=1 31 B5R0.5 CC(S)C(C)S CNP0003531.0 [0,0,0,0,0,0|0,0,0]=0 32 B5R0.5 CN(C)C(=S)S CNP0033815.0 [0,0,0,0,0,0|3,0,1]=4 33 B5R0.5 C[C@@H](N)C(=O)O CNP0313085.2 [0,0,0,0,0,0|2,1,1]=4 34 B5R0.5 C[C@@H](O)C(=O)O CNP0232038.2 [0,0,0,0,0,0|1,2,1]=4 35 B5R0.5 C[C@@H](O)[C@@H](C)O CNP0115674.2 [0,0,0,0,0,0|0,2,0]=2 36 B5R0.5 C[C@H](N)C(=O)O CNP0313085.1 [0,0,0,0,0,0|2,1,1]=4 37 B5R0.5 C[C@H](O)C(=O)O CNP0232038.1 [0,0,0,0,0,0|1,2,1]=4 38 B5R0.5 C[C@H](O)C(Br)Br CNP0106114.1 [0,0,0,0,0,0|2,1,0]=3 39 B5R0.5 C[C@H](O)[C@@H](C)O CNP0115674.1 [0,0,0,0,0,0|0,2,0]=2 40 B5R0.5 C[C@H](O)[C@H](C)O CNP0115674.3 [0,0,0,0,0,0|0,2,0]=2 41 B5R0.5 C[C@H](S)C(=O)O CNP0223404.1 [0,0,0,0,0,0|1,1,1]=3 42 B5R0.5 ClC(Cl)C(Cl)Cl CNP0311098.0 [0,0,0,0,0,0|4,0,0]=4 43 B4R0.1 C#CC(C)C CNP0586699.0 [1,0,0,0,0,0|1,0,2]=4 44 B4R0.1 C=C(C)CC CNP0605035.0 [1,0,0,0,0,0|1,0,1]=3 45 B4R0.1 C=C(C)CO CNP0505353.0 [1,0,0,0,0,0|1,1,1]=4 46 B4R0.1 C=CC(C)C CNP0589769.0 [1,0,0,0,0,0|1,0,2]=4 47 B4R0.1 C=C[C@@H](C)O CNP0512445.2 [1,0,0,0,0,0|0,1,2]=4 48 B4R0.1 C=C[C@H](C)O CNP0512445.1 [1,0,0,0,0,0|0,1,2]=4 49 B4R0.1 CC(=O)CBr CNP0602861.0 [1,0,0,0,0,0|1,1,1]=4 50 B4R0.1 CC(=O)CI CNP0515381.0 [1,0,0,0,0,0|1,1,1]=4 51 B4R0.1 CC(=O)CN CNP0602829.0 [1,0,0,0,0,0|1,1,1]=4 52 B4R0.1 CC(=O)CO CNP0487266.0 [1,0,0,0,0,0|0,2,1]=4 53 B4R0.1 CC(=O)CS CNP0514893.0 [1,0,0,0,0,0|0,1,1]=3 54 B4R0.1 CC(C)C=O CNP0511471.0 [1,0,0,0,0,0|1,1,1]=4 55 B4R0.1 CC(C)C=[17O] CNP0484940.0 [1,0,0,0,0,0|1,1,1]=4 56 B4R0.1 CC(C)CN CNP0490050.0 [1,0,0,0,0,0|2,0,0]=3 57 B4R0.1 CC(C)CO CNP0493868.0 [1,0,0,0,0,0|1,1,0]=3 58 B4R0.1 CC(C)CS CNP0494383.0 [1,0,0,0,0,0|1,0,0]=2 59 B4R0.1 CC(N)C#N CNP0567528.0 [1,0,0,0,0,0|2,0,1]=4 60 B4R0.1 CC(N)C=O CNP0531209.0 [1,0,0,0,0,0|1,1,1]=4 61 B4R0.1 CC(N)CN CNP0579261.0 [1,0,0,0,0,0|2,0,0]=3 62 B4R0.1 CC(S)CS CNP0488983.0 [1,0,0,0,0,0|0,0,0]=1 63 B4R0.1 CC=C(C)C CNP0502707.0 [1,0,0,0,0,0|1,0,2]=4 64 B4R0.1 CCC(=N)S CNP0544659.0 [1,0,0,0,0,0|1,0,1]=3 65 B4R0.1 CCC(=O)Br CNP0583620.0 [1,0,0,0,0,0|1,1,1]=4 66 B4R0.1 CCC(=O)C CNP0486447.0 [1,0,0,0,0,0|0,1,1]=3 67 B4R0.1 CCC(=O)Cl CNP0502198.0 [1,0,0,0,0,0|1,1,1]=4 68 B4R0.1 CCC(=O)I CNP0549008.0 [1,0,0,0,0,0|1,1,1]=4 69 B4R0.1 CCC(=O)N CNP0512752.0 [1,0,0,0,0,0|1,1,1]=4 70 B4R0.1 CCC(=O)O CNP0572679.0 [1,0,0,0,0,0|1,1,1]=4 71 B4R0.1 CCC(=O)[O-] CNP0505645.0 [1,0,0,0,0,0|1,1,1]=4 72 B4R0.1 CCC(=O)[O-] CNP0584211.0 [1,0,0,0,0,0|1,1,1]=4 73 B4R0.1 CCC(=O)[O-] CNP0604604.0 [1,0,0,0,0,0|1,1,1]=4 74 B4R0.1 CCC(C)C CNP0492867.0 [1,0,0,0,0,0|1,0,0]=2 75 B4R0.1 CCC(C)N CNP0520467.0 [1,0,0,0,0,0|1,0,0]=2 76 B4R0.1 CCC(O)O CNP0533578.0 [1,0,0,0,0,0|1,1,0]=3 77 B4R0.1 CCC(O)S CNP0612126.0 [1,0,0,0,0,0|1,0,0]=2 78 B4R0.1 CC[C@@H](C)O CNP0577352.1 [1,0,0,0,0,0|0,1,0]=2 79 B4R0.1 CC[C@@H](C)S CNP0572211.1 [1,0,0,0,0,0|0,0,0]=1 80 B4R0.1 CC[C@H](C)O CNP0577352.2 [1,0,0,0,0,0|0,1,0]=2 81 B4R0.1 CNC(=O)C CNP0491397.0 [1,0,0,0,0,0|1,1,1]=4 82 B4R0.1 CNC(=S)S CNP0524147.0 [1,0,0,0,0,0|2,0,1]=4 83 B4R0.1 CNC(C)C CNP0489071.0 [1,0,0,0,0,0|2,0,0]=3 84 B4R0.1 COC(=O)C CNP0578880.0 [1,0,0,0,0,0|1,1,1]=4 85 B4R0.1 CSC(=O)C CNP0491622.0 [1,0,0,0,0,0|1,1,1]=4 86 B4R0.1 CSC(C)C CNP0486491.0 [1,0,0,0,0,0|2,0,0]=3 87 B4R0.1 CSC(C)S CNP0497634.0 [1,0,0,0,0,0|1,0,0]=2 88 B4R0.1 CS[S@@+](C)[O-] CNP0525842.1 [1,0,0,0,0,0|2,1,0]=4 89 B4R0.1 CS[S@@H+](C)[O-] CNP0579172.1 [1,0,0,0,0,0|2,1,0]=4 90 B4R0.1 C[C@@H](Cl)CCl CNP0573757.1 [1,0,0,0,0,0|2,0,0]=3 91 B4R0.1 C[C@@H](N)CO CNP0589695.1 [1,0,0,0,0,0|1,1,0]=3 92 B4R0.1 C[C@@H](O)C#N CNP0491457.1 [1,0,0,0,0,0|1,1,1]=4 93 B4R0.1 C[C@@H](O)C=O CNP0482941.1 [1,0,0,0,0,0|0,2,1]=4 94 B4R0.1 C[C@@H](O)CO CNP0522839.2 [1,0,0,0,0,0|0,2,0]=3 95 B4R0.1 C[C@H](N)CO CNP0589695.2 [1,0,0,0,0,0|1,1,0]=3 96 B4R0.1 C[C@H](O)C=O CNP0482941.2 [1,0,0,0,0,0|0,2,1]=4 97 B4R0.1 C[C@H](O)CBr CNP0593715.1 [1,0,0,0,0,0|1,1,0]=3 98 B4R0.1 C[C@H](O)CN CNP0571248.1 [1,0,0,0,0,0|1,1,0]=3 99 B4R0.1 C[C@H](O)CO CNP0522839.1 [1,0,0,0,0,0|0,2,0]=3 100 B4R0.1 ClCC(Cl)Cl CNP0506621.0 [1,0,0,0,0,0|3,0,0]=4 101 B4R0.1 O=C(O)CS CNP0502399.0 [1,0,0,0,0,0|1,1,1]=4 102 B4R0.1 OCC(Cl)Cl CNP0479097.0 [1,0,0,0,0,0|2,1,0]=4 103 B4R0.1 O[C@@H](Cl)CBr CNP0538567.1 [1,0,0,0,0,0|2,1,0]=4 104 B6R0.3 C=C(C)[C@H](C)CC CNP0076705.1 [0,1,0,0,0,0|2,0,1]=4 105 B6R0.3 CC(=O)C(C)C#N CNP0503071.0 [0,1,0,0,0,0|1,1,1]=4 106 B6R0.3 CC(Br)C(=O)CBr CNP0435945.0 [0,1,0,0,0,0|1,1,1]=4 107 B6R0.3 CC(C)C(C)CO CNP0127606.0 [0,1,0,0,0,0|1,1,0]=3 108 B6R0.3 CC(C)C(N)C=O CNP0484074.0 [0,1,0,0,0,0|2,0,1]=4 109 B6R0.3 CC(C)C(N)C=O CNP0491546.0 [0,1,0,0,0,0|2,0,1]=4 110 B6R0.3 CC(C)C(N)C=O CNP0498484.0 [0,1,0,0,0,0|2,0,1]=4 111 B6R0.3 CC(C)[C@@H](N)CO CNP0177308.2 [0,1,0,0,0,0|2,0,0]=3 112 B6R0.3 CC(C)[C@@H](O)C#N CNP0164289.1 [0,1,0,0,0,0|1,1,1]=4 113 B6R0.3 CC(C)[C@@H](S)CO CNP0191310.1 [0,1,0,0,0,0|1,0,0]=2 114 B6R0.3 CC(C)[C@H](N)CO CNP0177308.1 [0,1,0,0,0,0|2,0,0]=3 115 B6R0.3 CC(O)C(=O)CO CNP0185354.0 [0,1,0,0,0,0|0,2,1]=4 116 B6R0.3 CCC(=O)C(C)C CNP0169958.0 [0,1,0,0,0,0|1,1,1]=4 117 B6R0.3 CCC(=O)C(C)S CNP0003027.0 [0,1,0,0,0,0|0,1,1]=3 118 B6R0.3 CCC(=O)[C@H](C)N CNP0316941.1 [0,1,0,0,0,0|1,1,1]=4 119 B6R0.3 CCC(=O)[C@H](C)O CNP0287252.1 [0,1,0,0,0,0|0,2,1]=4 120 B6R0.3 CCC(O)C(=O)C CNP0413470.0 [0,1,0,0,0,0|0,2,1]=4 121 B6R0.3 CCC(O)C(C)C CNP0265736.0 [0,1,0,0,0,0|1,1,0]=3 122 B6R0.3 CCC(O)C(C)O CNP0519497.0 [0,1,0,0,0,0|0,2,0]=3 123 B6R0.3 CCC(S)C(=O)C CNP0064467.0 [0,1,0,0,0,0|0,1,1]=3 124 B6R0.3 CCC(S)C(C)C CNP0611989.0 [0,1,0,0,0,0|1,0,0]=2 125 B6R0.3 CC[C@@H](C)C(=O)C CNP0151175.1 [0,1,0,0,0,0|1,1,1]=4 126 B6R0.3 CC[C@@H](C)C(O)O CNP0597016.1 [0,1,0,0,0,0|2,1,0]=4 127 B6R0.3 CC[C@@H](C)[C@@H](C)O CNP0061619.1 [0,1,0,0,0,0|1,1,0]=3 128 B6R0.3 CC[C@@H](O)C(=O)C CNP0413470.1 [0,1,0,0,0,0|0,2,1]=4 129 B6R0.3 CC[C@H](C)C(=O)C CNP0151175.2 [0,1,0,0,0,0|1,1,1]=4 130 B6R0.3 CC[C@H](C)C(C)C CNP0304167.1 [0,1,0,0,0,0|2,0,0]=3 131 B6R0.3 CC[C@H](C)[C@@H](C)O CNP0061619.2 [0,1,0,0,0,0|1,1,0]=3 132 B6R0.3 COC(=O)C(C)C CNP0354997.0 [0,1,0,0,0,0|1,1,1]=4 133 B6R0.3 COC(=O)[C@@H](C)N CNP0396122.3 [0,1,0,0,0,0|1,1,1]=4 134 B6R0.3 COC(=O)[C@@H](C)O CNP0238296.2 [0,1,0,0,0,0|0,2,1]=4 135 B6R0.3 COC(=O)[C@H](C)N CNP0396122.2 [0,1,0,0,0,0|1,1,1]=4 136 B6R0.3 COC(=O)[C@H](C)O CNP0238296.1 [0,1,0,0,0,0|0,2,1]=4 137 B6R0.3 COC(=S)C(C)C CNP0507266.0 [0,1,0,0,0,0|1,0,2]=4 138 B6R0.3 CO[C@@H](C)C(=O)C CNP0325332.1 [0,1,0,0,0,0|0,2,1]=4 139 B6R0.3 CSC(C)C(=O)C CNP0075921.0 [0,1,0,0,0,0|0,1,1]=3 140 B6R0.3 CSC(C)C(C)C CNP0245218.0 [0,1,0,0,0,0|1,0,0]=2 141 B6R0.3 C[C@@H](O)[C@@H](C)CO CNP0424442.1 [0,1,0,0,0,0|0,2,0]=3 142 B6R0.3 C[C@@H](O)[C@@H](O)CO CNP0199934.3 [0,1,0,0,0,0|0,2,0]=3 143 B6R0.3 C[C@@H](O)[C@H](N)C=O CNP0119001.1 [0,1,0,0,0,0|1,1,1]=4 144 B6R0.3 C[C@@H](O)[C@H](N)CO CNP0049541.1 [0,1,0,0,0,0|1,1,0]=3 145 B6R0.3 C[C@@H](O)[C@H](O)CO CNP0199934.1 [0,1,0,0,0,0|0,2,0]=3 146 B6R0.3 C[C@H](CCl)N(C)C CNP0239301.1 [0,1,0,0,0,0|3,0,0]=4 147 B6R0.3 C[C@H](O)[C@H](O)CO CNP0199934.2 [0,1,0,0,0,0|0,2,0]=3 148 B6R0.3 OC(CCl)C(Cl)Cl CNP0323730.0 [0,1,0,0,0,0|2,1,0]=4 149 B6R0.7 CC(=O)C(C)(C)Br CNP0058151.0 [0,1,0,0,0,0|1,1,1]=4 150 B6R0.7 CC(=O)C(C)(C)O CNP0323322.0 [0,1,0,0,0,0|0,2,1]=4 151 B6R0.7 CC(C)C(C)(C)C CNP0107952.0 [0,1,0,0,0,0|2,0,0]=3 152 B6R0.7 CC(O)C(C)(C)O CNP0491018.0 [0,1,0,0,0,0|0,2,0]=3 153 B6R1.4 C[C@@H]1CCC1=O CNP0253900.1 [0,0,0,1,0,0|1,1,1]=4 154 B6R1.4 C[C@H]1CS[C@@H]1C CNP0207395.1 [0,0,0,1,0,0|1,0,0]=2 155 B6R1.9 CC1CC1(C)C CNP0507743.0 [0,0,0,1,0,0|2,0,0]=3 156 B6R0.2 CC(=CC(C)C)C CNP0084966.0 [0,0,0,0,0,1|2,0,1]=4 157 B6R0.2 CC(=O)CC(C)C CNP0178924.0 [0,0,0,0,0,1|1,1,1]=4 158 B6R0.2 CC(=O)C[C@@H](C)O CNP0209002.1 [0,0,0,0,0,1|0,2,1]=4 159 B6R0.2 CC(=O)C[C@H](C)O CNP0209002.2 [0,0,0,0,0,1|0,2,1]=4 160 B6R0.2 CC(=O)OC(C)C CNP0234567.0 [0,0,0,0,0,1|1,1,1]=4 161 B6R0.2 CC(=S)OC(C)C CNP0539735.0 [0,0,0,0,0,1|1,0,2]=4 162 B6R0.2 CC(C)CC(C)C CNP0241759.0 [0,0,0,0,0,1|2,0,0]=3 163 B6R0.2 CC(C)CC(C)O CNP0493734.0 [0,0,0,0,0,1|1,1,0]=3 164 B6R0.2 CC(C)C[C@@H](C)N CNP0556567.1 [0,0,0,0,0,1|2,0,0]=3 165 B6R0.2 CC(C)C[S@@+](C)[O-] CNP0553779.1 [0,0,0,0,0,1|2,1,0]=4 166 B6R0.2 CC(C)C[S@@H+](C)[O-] CNP0593384.1 [0,0,0,0,0,1|2,1,0]=4 167 B6R0.2 CC(C)NC(C)C CNP0209283.0 [0,0,0,0,0,1|2,0,0]=3 168 B6R0.2 CC(C)SC(C)C CNP0213199.0 [0,0,0,0,0,1|2,0,0]=3 169 B6R0.2 CC(S)SC(C)S CNP0174729.0 [0,0,0,0,0,1|0,0,0]=1 170 B6R0.2 C[C@@H](O)C[C@@H](C)O CNP0138640.1 [0,0,0,0,0,1|0,2,0]=3 171 B3R0.1 BrCCBr CNP0591557.0 [2,0,0,0,0,0|2,0,0]=4 172 B3R0.1 BrCCI CNP0495630.0 [2,0,0,0,0,0|2,0,0]=4 173 B3R0.1 C#CCC CNP0509561.0 [2,0,0,0,0,0|0,0,2]=4 174 B3R0.1 C#[N+]CC CNP0559170.0 [2,0,0,0,0,0|1,0,1]=4 175 B3R0.1 C=CCC CNP0490956.0 [2,0,0,0,0,0|0,0,2]=4 176 B3R0.1 C=CCS CNP0575677.0 [2,0,0,0,0,0|0,0,2]=4 177 B3R0.1 CC#CC CNP0556029.0 [2,0,0,0,0,0|0,0,2]=4 178 B3R0.1 CC=CC CNP0597271.0 [2,0,0,0,0,0|0,0,2]=4 179 B3R0.1 CC=CS CNP0589530.0 [2,0,0,0,0,0|0,0,2]=4 180 B3R0.1 CCC#N CNP0564998.0 [2,0,0,0,0,0|1,0,1]=4 181 B3R0.1 CCC=O CNP0570013.0 [2,0,0,0,0,0|0,1,1]=4 182 B3R0.1 CCC=S CNP0546828.0 [2,0,0,0,0,0|0,0,2]=4 183 B3R0.1 CCCBr CNP0561445.0 [2,0,0,0,0,0|1,0,0]=3 184 B3R0.1 CCCC CNP0597736.0 [2,0,0,0,0,0|0,0,0]=2 185 B3R0.1 CCCI CNP0596010.0 [2,0,0,0,0,0|1,0,0]=3 186 B3R0.1 CCCN CNP0600530.0 [2,0,0,0,0,0|1,0,0]=3 187 B3R0.1 CCCO CNP0605151.0 [2,0,0,0,0,0|0,1,0]=3 188 B3R0.1 CCCS CNP0572992.0 [2,0,0,0,0,0|0,0,0]=2 189 B3R0.1 CCN=O CNP0552947.0 [2,0,0,0,0,0|1,1,0]=4 190 B3R0.1 CCNC CNP0563252.0 [2,0,0,0,0,0|1,0,0]=3 191 B3R0.1 CCOC CNP0484105.0 [2,0,0,0,0,0|1,0,0]=3 192 B3R0.1 CCOO CNP0591807.0 [2,0,0,0,0,0|1,1,0]=4 193 B3R0.1 CCSC CNP0596541.0 [2,0,0,0,0,0|1,0,0]=3 194 B3R0.1 CCSO CNP0559716.0 [2,0,0,0,0,0|1,1,0]=4 195 B3R0.1 CNNC CNP0493834.0 [2,0,0,0,0,0|2,0,0]=4 196 B3R0.1 COOC CNP0610139.0 [2,0,0,0,0,0|2,0,0]=4 197 B3R0.1 CSSC CNP0600942.0 [2,0,0,0,0,0|2,0,0]=4 198 B3R0.1 C[Se][Se]C CNP0508246.0 [2,0,0,0,0,0|2,0,0]=4 199 B3R0.1 ClCCBr CNP0493040.0 [2,0,0,0,0,0|2,0,0]=4 200 B3R0.1 ClCCCl CNP0592018.0 [2,0,0,0,0,0|2,0,0]=4 201 B3R0.1 N#CCS CNP0566385.0 [2,0,0,0,0,0|1,0,1]=4 202 B3R0.1 NCCN CNP0531974.0 [2,0,0,0,0,0|2,0,0]=4 203 B3R0.1 NCCO CNP0581653.0 [2,0,0,0,0,0|1,1,0]=4 204 B3R0.1 NCCS CNP0490978.0 [2,0,0,0,0,0|1,0,0]=3 205 B3R0.1 NCC[O] CNP0586934.0 [2,0,0,0,0,0|1,1,0]=4 206 B3R0.1 O=CCS CNP0591045.0 [2,0,0,0,0,0|0,1,1]=4 207 B3R0.1 OCCCl CNP0532317.0 [2,0,0,0,0,0|1,1,0]=4 208 B3R0.1 OCCI CNP0489668.0 [2,0,0,0,0,0|1,1,0]=4 209 B3R0.1 OCCO CNP0484938.0 [2,0,0,0,0,0|0,2,0]=4 210 B3R0.1 OCCS CNP0576505.0 [2,0,0,0,0,0|0,1,0]=3 211 B3R0.1 SCCS CNP0506336.0 [2,0,0,0,0,0|0,0,0]=2 212 B3R0.2 C=C(C)C CNP0512482.0 [2,0,0,0,0,0|1,0,1]=4 213 B3R0.2 CC(=N)S CNP0537692.0 [2,0,0,0,0,0|1,0,1]=4 214 B3R0.2 CC(=O)C CNP0572494.0 [2,0,0,0,0,0|0,1,1]=4 215 B3R0.2 CC(C)C CNP0580677.0 [2,0,0,0,0,0|1,0,0]=3 216 B3R0.2 CC(C)I CNP0515098.0 [2,0,0,0,0,0|1,0,0]=3 217 B3R0.2 CC(C)N CNP0574231.0 [2,0,0,0,0,0|1,0,0]=3 218 B3R0.2 CC(C)O CNP0603430.0 [2,0,0,0,0,0|0,1,0]=3 219 B3R0.2 CC(C)S CNP0483016.0 [2,0,0,0,0,0|0,0,0]=2 220 B3R0.2 CN(C)C CNP0522907.0 [2,0,0,0,0,0|2,0,0]=4 221 B3R0.2 CN(C)N CNP0573264.0 [2,0,0,0,0,0|2,0,0]=4 222 B3R0.2 CP(C)C CNP0586622.0 [2,0,0,0,0,0|2,0,0]=4 223 B3R0.2 C[As](C)C CNP0539997.0 [2,0,0,0,0,0|2,0,0]=4 224 B3R0.2 C[As](C)O CNP0541907.0 [2,0,0,0,0,0|1,1,0]=4 225 B3R0.2 C[S+](C)C CNP0555694.0 [2,0,0,0,0,0|2,0,0]=4 226 B3R0.2 C[S+](C)[O-] CNP0499675.0 [2,0,0,0,0,0|1,1,0]=4 227 B3R0.2 C[Se+](C)C CNP0504179.0 [2,0,0,0,0,0|2,0,0]=4 228 B3R0.2 C[SeH2](=[Se])C CNP0610734.0 [2,0,0,0,0,0|1,1,0]=4 229 B3R0.2 C[SeH](C)[SeH] CNP0608908.0 [2,0,0,0,0,0|1,1,0]=4 230 B3R0.2 N=C(S)S CNP0522891.0 [2,0,0,0,0,0|1,0,1]=4 231 B3R0.2 [CH2]C(C)C CNP0571096.0 [2,0,0,0,0,0|1,0,0]=3 232 B5R0.1 C=C(C)CCC CNP0179329.0 [1,1,0,0,0,0|1,0,1]=4 233 B5R0.1 C=C(C)CCO CNP0285127.0 [1,1,0,0,0,0|1,0,1]=4 234 B5R0.1 C=CCC(C)C CNP0293683.0 [1,1,0,0,0,0|1,0,1]=4 235 B5R0.1 C=CCC(C)O CNP0594112.0 [1,1,0,0,0,0|0,1,1]=4 236 B5R0.1 CC(=CCS)C CNP0262600.0 [1,1,0,0,0,0|1,0,1]=4 237 B5R0.1 CC(=O)CCO CNP0251527.0 [1,1,0,0,0,0|0,1,1]=4 238 B5R0.1 CC(=O)CCS CNP0404753.0 [1,1,0,0,0,0|0,1,1]=4 239 B5R0.1 CC(=O)OCS CNP0547679.0 [1,1,0,0,0,0|0,1,1]=4 240 B5R0.1 CC(C)CC#N CNP0003467.0 [1,1,0,0,0,0|1,0,1]=4 241 B5R0.1 CC(C)CC=O CNP0200023.0 [1,1,0,0,0,0|1,0,1]=4 242 B5R0.1 CC(C)CCN CNP0107663.0 [1,1,0,0,0,0|1,0,0]=3 243 B5R0.1 CC(C)CCO CNP0115711.0 [1,1,0,0,0,0|1,0,0]=3 244 B5R0.1 CC(C)CCS CNP0222694.0 [1,1,0,0,0,0|1,0,0]=3 245 B5R0.1 CC(C)CNO CNP0343206.0 [1,1,0,0,0,0|1,1,0]=4 246 B5R0.1 CC(O)CCS CNP0002409.0 [1,1,0,0,0,0|0,1,0]=3 247 B5R0.1 CC(S)CCS CNP0003105.0 [1,1,0,0,0,0|0,0,0]=2 248 B5R0.1 CC=CC(C)C CNP0513218.0 [1,1,0,0,0,0|1,0,1]=4 249 B5R0.1 CC=CC(C)O CNP0150168.0 [1,1,0,0,0,0|0,1,1]=4 250 B5R0.1 CCC=C(C)C CNP0331653.0 [1,1,0,0,0,0|1,0,1]=4 251 B5R0.1 CCC=C(C)O CNP0225775.0 [1,1,0,0,0,0|0,1,1]=4 252 B5R0.1 CCCC(=O)C CNP0169448.0 [1,1,0,0,0,0|0,1,1]=4 253 B5R0.1 CCCC(C)C CNP0319065.0 [1,1,0,0,0,0|1,0,0]=3 254 B5R0.1 CCCC(C)S CNP0029638.0 [1,1,0,0,0,0|0,0,0]=2 255 B5R0.1 CCCC(O)O CNP0076336.0 [1,1,0,0,0,0|1,1,0]=4 256 B5R0.1 CCC[C@@H](C)O CNP0287976.1 [1,1,0,0,0,0|0,1,0]=3 257 B5R0.1 CCC[C@H](C)O CNP0287976.2 [1,1,0,0,0,0|0,1,0]=3 258 B5R0.1 CCNC(=O)C CNP0260078.0 [1,1,0,0,0,0|0,1,1]=4 259 B5R0.1 CCOC(=O)C CNP0322418.0 [1,1,0,0,0,0|0,1,1]=4 260 B5R0.1 CCOC(C)C CNP0604172.0 [1,1,0,0,0,0|1,0,0]=3 261 B5R0.1 CCO[13C](=O)C CNP0577601.0 [1,1,0,0,0,0|0,1,1]=4 262 B5R0.1 CCSC(=O)C CNP0274861.0 [1,1,0,0,0,0|0,1,1]=4 263 B5R0.1 CCSC(C)C CNP0254931.0 [1,1,0,0,0,0|1,0,0]=3 264 B5R0.1 CCSC(C)S CNP0579398.0 [1,1,0,0,0,0|0,0,0]=2 265 B5R0.1 CN(C)CCCl CNP0328789.0 [1,1,0,0,0,0|2,0,0]=4 266 B5R0.1 CN(C)CCO CNP0230038.0 [1,1,0,0,0,0|2,0,0]=4 267 B5R0.1 CN=CC(C)C CNP0149349.0 [1,1,0,0,0,0|1,0,1]=4 268 B5R0.1 CNCC(C)C CNP0273998.0 [1,1,0,0,0,0|1,0,0]=3 269 B5R0.1 COCC(=O)C CNP0581024.0 [1,1,0,0,0,0|0,1,1]=4 270 B5R0.1 COCC(C)C CNP0528468.0 [1,1,0,0,0,0|1,0,0]=3 271 B5R0.1 CSCC(=O)C CNP0002513.0 [1,1,0,0,0,0|0,1,1]=4 272 B5R0.1 CSCC(C)C CNP0405087.0 [1,1,0,0,0,0|1,0,0]=3 273 B5R0.1 CSC[S@+](C)[O-] CNP0604118.1 [1,1,0,0,0,0|1,1,0]=4 274 B5R0.1 CSSC(C)C CNP0267830.0 [1,1,0,0,0,0|2,0,0]=4 275 B5R0.1 C[C@@H](O)CC#N CNP0115714.1 [1,1,0,0,0,0|0,1,1]=4 276 B5R0.1 C[C@@H](O)CC=O CNP0197470.1 [1,1,0,0,0,0|0,1,1]=4 277 B5R0.1 C[C@@H](O)CCO CNP0110972.2 [1,1,0,0,0,0|0,1,0]=3 278 B5R0.1 C[C@H](O)CCO CNP0110972.1 [1,1,0,0,0,0|0,1,0]=3 279 B5R0.3 C=C[C@@H](O)CC CNP0331558.1 [1,1,0,0,0,0|0,1,1]=4 280 B5R0.3 C=C[C@H](C)CO CNP0600503.1 [1,1,0,0,0,0|1,1,0]=4 281 B5R0.3 C=C[C@H](O)CC CNP0331558.2 [1,1,0,0,0,0|0,1,1]=4 282 B5R0.3 CC(CO)CO CNP0282467.0 [1,1,0,0,0,0|0,2,0]=4 283 B5R0.3 CC=C(C)CC CNP0247687.0 [1,1,0,0,0,0|1,0,1]=4 284 B5R0.3 CCC(=CS)C CNP0025997.0 [1,1,0,0,0,0|0,0,1]=3 285 B5R0.3 CCC(=O)CC CNP0270305.0 [1,1,0,0,0,0|0,1,1]=4 286 B5R0.3 CCC(=O)CO CNP0165007.0 [1,1,0,0,0,0|0,1,1]=4 287 B5R0.3 CCC(=O)OC CNP0166631.0 [1,1,0,0,0,0|0,1,1]=4 288 B5R0.3 CCC(=O)SC CNP0240172.0 [1,1,0,0,0,0|0,1,1]=4 289 B5R0.3 CCC(C)CC CNP0316485.0 [1,1,0,0,0,0|1,0,0]=3 290 B5R0.3 CCC(C)CS CNP0003009.0 [1,1,0,0,0,0|0,0,0]=2 291 B5R0.3 CCC(N)CC CNP0103985.0 [1,1,0,0,0,0|1,0,0]=3 292 B5R0.3 CCC(N)NC CNP0278870.0 [1,1,0,0,0,0|1,0,0]=3 293 B5R0.3 CCC(O)CC CNP0293075.0 [1,1,0,0,0,0|0,1,0]=3 294 B5R0.3 CCC(O)CCl CNP0366953.0 [1,1,0,0,0,0|0,1,0]=3 295 B5R0.3 CCC(O)CO CNP0534149.0 [1,1,0,0,0,0|0,1,0]=3 296 B5R0.3 CCC(S)CS CNP0197461.0 [1,1,0,0,0,0|0,0,0]=2 297 B5R0.3 CCC(S)SC CNP0609154.0 [1,1,0,0,0,0|0,0,0]=2 298 B5R0.3 CC[C@@H](C)C=O CNP0220551.2 [1,1,0,0,0,0|0,1,0]=3 299 B5R0.3 CC[C@@H](C)CO CNP0185673.1 [1,1,0,0,0,0|0,1,0]=3 300 B5R0.3 CC[C@H](C)C#N CNP0343114.1 [1,1,0,0,0,0|1,0,0]=3 301 B5R0.3 CC[C@H](C)C=O CNP0220551.1 [1,1,0,0,0,0|0,1,0]=3 302 B5R0.3 CC[C@H](C)CN CNP0233909.1 [1,1,0,0,0,0|1,0,0]=3 303 B5R0.3 CC[C@H](C)CO CNP0185673.2 [1,1,0,0,0,0|0,1,0]=3 304 B5R0.3 CC[C@H](C)NC CNP0236959.1 [1,1,0,0,0,0|1,0,0]=3 305 B5R0.3 CC[S+](C)CC CNP0038064.0 [1,1,0,0,0,0|2,0,0]=4 306 B5R0.3 CC[S](C)CC CNP0523180.0 [1,1,0,0,0,0|2,0,0]=4 307 B5R0.3 COC(C)CO CNP0485411.0 [1,1,0,0,0,0|0,2,0]=4 308 B5R0.3 COC(C)OC CNP0122626.0 [1,1,0,0,0,0|1,1,0]=4 309 B5R0.3 CSC(C)SC CNP0610569.0 [1,1,0,0,0,0|1,0,0]=3 310 B5R0.3 ClCC(Cl)CCl CNP0159084.0 [1,1,0,0,0,0|2,0,0]=4 311 B5R0.3 NC(CO)CO CNP0535001.0 [1,1,0,0,0,0|1,1,0]=4 312 B5R0.3 OC(CBr)CBr CNP0017512.0 [1,1,0,0,0,0|1,1,0]=4 313 B5R0.3 OC(CCl)CCl CNP0294183.0 [1,1,0,0,0,0|1,1,0]=4 314 B5R0.3 OC(CI)CI CNP0161531.0 [1,1,0,0,0,0|1,1,0]=4 315 B5R0.3 OC(CP)CP CNP0345632.0 [1,1,0,0,0,0|1,1,0]=4 316 B5R0.3 OCC(O)CCl CNP0334066.0 [1,1,0,0,0,0|0,2,0]=4 317 B5R0.3 OCC(O)CO CNP0259986.0 [1,1,0,0,0,0|0,2,0]=4 318 B5R0.3 OC[C@@H](O)CS CNP0570311.1 [1,1,0,0,0,0|0,1,0]=3 319 B5R0.3 OC[C@@H](S)CS CNP0341544.1 [1,1,0,0,0,0|0,0,0]=2 320 B5R0.3 OC[C@H](O)CI CNP0103876.1 [1,1,0,0,0,0|0,2,0]=4 321 B5R0.3 OC[C@H](S)CS CNP0341544.2 [1,1,0,0,0,0|0,0,0]=2 322 B5R0.3 O[C@@H](CCl)CI CNP0018029.1 [1,1,0,0,0,0|1,1,0]=4 323 B5R0.3 PCC(P)CP CNP0345634.0 [1,1,0,0,0,0|2,0,0]=4 324 B5R0.4 CC(C)(O)CN CNP0332905.0 [1,1,0,0,0,0|1,1,0]=4 325 B5R0.4 CC(C)(O)CO CNP0307478.0 [1,1,0,0,0,0|0,2,0]=4 326 B5R0.4 CC(C)(S)CS CNP0258725.0 [1,1,0,0,0,0|0,0,0]=2 327 B5R0.4 CCC(C)(C)C CNP0113159.0 [1,1,0,0,0,0|1,0,0]=3 328 B5R0.4 CCC(C)(C)I CNP0076730.0 [1,1,0,0,0,0|1,0,0]=3 329 B5R0.4 CCC(C)(C)N CNP0083061.0 [1,1,0,0,0,0|1,0,0]=3 330 B5R0.4 CCC(C)(C)O CNP0239239.0 [1,1,0,0,0,0|0,1,0]=3 331 B5R0.4 CC[Si](C)(C)C CNP0572818.0 [1,1,0,0,0,0|1,1,0]=4 332 B5R0.4 COC(C)(C)C CNP0379426.0 [1,1,0,0,0,0|2,0,0]=4 333 B7R0.2 C=CC(C)CC(C)C CNP0104195.0 [0,1,0,0,0,1|2,0,0]=4 334 B7R0.2 CC(C)C[C@@H](N)CO CNP0295420.1 [0,1,0,0,0,1|2,0,0]=4 335 B7R0.2 CC(C)C[C@H](C)C=O CNP0563358.1 [0,1,0,0,0,1|1,1,0]=4 336 B7R0.2 CC(C)C[C@H](N)CO CNP0295420.2 [0,1,0,0,0,1|2,0,0]=4 337 B7R0.2 CC[C@H](C)CC(C)C CNP0229015.1 [0,1,0,0,0,1|2,0,0]=4 338 B7R0.2 COC(=O)CC(C)S CNP0050854.0 [0,1,0,0,0,1|0,1,1]=4 339 B7R0.2 CSC(C)SC(C)S CNP0609794.0 [0,1,0,0,0,1|0,0,0]=2 340 B7R0.9 CC(=O)CC(C)(C)S CNP0003365.0 [0,1,0,0,0,1|0,1,1]=4 341 B7R0.9 CC(C)CC(C)(C)C CNP0079943.0 [0,1,0,0,0,1|2,0,0]=4 342 B7R0.9 CC(C)CC(C)(C)O CNP0085669.0 [0,1,0,0,0,1|1,1,0]=4 343 B7R0.9 C[C@@H](O)CC(C)(C)O CNP0352838.2 [0,1,0,0,0,1|0,2,0]=4 344 B7R0.9 C[C@H](O)CC(C)(C)O CNP0352838.1 [0,1,0,0,0,1|0,2,0]=4 345 B7R0.16 CC(C)C(=O)C(C)C CNP0413157.0 [0,1,0,0,0,1|2,0,0]=4 346 B7R0.16 CC(C)C(=O)C(C)O CNP0291790.0 [0,1,0,0,0,1|1,1,0]=4 347 B7R0.16 CC(C)C(N)C(C)C CNP0083055.0 [0,1,0,0,0,1|2,0,0]=4 348 B7R0.16 CC(C)C(O)C(C)C CNP0366830.0 [0,1,0,0,0,1|2,0,0]=4 349 B7R0.5 C=CCC(C)C(C)C CNP0601967.0 [0,2,0,0,0,0|2,0,0]=4 350 B7R0.5 CC(C)C(S)CCO CNP0529625.0 [0,2,0,0,0,0|1,0,0]=3 351 B7R0.5 CCC[C@H](C)C(C)C CNP0153562.1 [0,2,0,0,0,0|2,0,0]=4 352 B7R0.5 CCOC(=O)C(C)S CNP0003364.0 [0,2,0,0,0,0|0,1,1]=4 353 B7R0.5 CCSC(C)C(C)C CNP0213489.0 [0,2,0,0,0,0|1,0,0]=3 354 B7R0.10 C=CC(S)C(S)C=C CNP0085880.0 [0,2,0,0,0,0|0,0,2]=4 355 B7R0.10 CCC(S)C(C)C=O CNP0191585.0 [0,2,0,0,0,0|0,1,0]=3 356 B7R0.10 CCC(S)C(C)CO CNP0361612.0 [0,2,0,0,0,0|0,1,0]=3 357 B7R0.10 CC[C@@H](C)[C@@H](C)CC CNP0380511.1 [0,2,0,0,0,0|2,0,0]=4 358 B7R0.10 CC[C@@H](O)[C@@H](C)CC CNP0328845.1 [0,2,0,0,0,0|1,1,0]=4 359 B7R0.10 CC[C@H](C)[C@H](N)CO CNP0145696.1 [0,2,0,0,0,0|2,0,0]=4 360 B7R0.10 ClCC(Cl)C(Cl)CCl CNP0383043.0 [0,2,0,0,0,0|2,0,0]=4 361 B7R0.10 OC[C@@H](O)[C@@H](O)CO CNP0150660.1 [0,2,0,0,0,0|0,2,0]=4 362 B7R0.10 OC[C@@H](O)[C@H](O)CO CNP0150660.2 [0,2,0,0,0,0|0,2,0]=4 363 B7R0.10 OC[C@H](O)[C@@H](O)CO CNP0150660.3 [0,2,0,0,0,0|0,2,0]=4 364 B7R0.10 O[C@@H](CS)[C@@H](O)CS CNP0085649.2 [0,2,0,0,0,0|0,2,0]=4 365 B7R0.10 O[C@H](CS)[C@@H](O)CS CNP0085649.1 [0,2,0,0,0,0|0,2,0]=4 366 B7R0.10 O[C@H](CS)[C@H](O)CS CNP0085649.3 [0,2,0,0,0,0|0,2,0]=4 367 B7R0.13 C=C[C@@](C)(O)C(C)C CNP0249096.1 [0,2,0,0,0,0|1,1,0]=4 368 B7R0.13 CCC(C)(C)C(C)C CNP0085046.0 [0,2,0,0,0,0|2,0,0]=4 369 B7R0.13 C[C@@H](O)[C@@](C)(O)CN CNP0540004.1 [0,2,0,0,0,0|0,2,0]=4 370 B7R0.15 CCC(CC)C(C)C CNP0152906.0 [0,2,0,0,0,0|2,0,0]=4 371 B7R0.17 CC(C)(C)C(C)(C)C CNP0172019.0 [0,2,0,0,0,0|2,0,0]=4 372 B7R0.17 CC(C)(O)C(C)(C)O CNP0386051.0 [0,2,0,0,0,0|0,2,0]=4 373 B5R1.2 CC1CCC1 CNP0546383.0 [1,0,0,1,0,0|1,0,0]=3 374 B5R1.2 NC1CCC1 CNP0609061.0 [1,0,0,1,0,0|1,0,0]=3 375 B5R1.2 OC1CCC1 CNP0562500.0 [1,0,0,1,0,0|0,1,0]=3 376 B5R1.2 [O-][S+]1CCC1 CNP0520919.0 [1,0,0,1,0,0|1,1,0]=4 377 B5R1.3 ClC[C@@H]1CO1 CNP0569559.2 [1,0,0,1,0,0|1,1,0]=4 378 B5R1.3 ClC[C@H]1CO1 CNP0569559.1 [1,0,0,1,0,0|1,1,0]=4 379 B5R1.3 OCC1CC1 CNP0604045.0 [1,0,0,1,0,0|1,1,0]=4 380 B5R1.3 OCC1CO1 CNP0517243.0 [1,0,0,1,0,0|0,2,0]=4 381 B5R1.4 CC1OC1C CNP0609093.0 [1,0,0,1,0,0|0,1,0]=3 382 B5R1.4 C[C@@H]1S[C@@H]1C CNP0577092.1 [1,0,0,1,0,0|0,0,0]=2 383 B5R1.5 CC1(CO1)C CNP0494243.0 [1,0,0,1,0,0|1,1,0]=4 384 B7R1.2 CC1=CC(CS1)S CNP0374005.0 [0,0,0,1,0,1|0,0,1]=3 385 B7R1.2 CC1=NC(SC1)C CNP0372580.0 [0,0,0,1,0,1|1,0,1]=4 386 B7R1.2 CC1C=CC(O1)C CNP0611535.0 [0,0,0,1,0,1|2,0,0]=4 387 B7R1.2 CC1CC(=CS1)S CNP0301304.0 [0,0,0,1,0,1|0,0,2]=4 388 B7R1.2 CC1CCC(C1)O CNP0608388.0 [0,0,0,1,0,1|1,1,0]=4 389 B7R1.2 CC1CCC(S1)C CNP0003500.0 [0,0,0,1,0,1|2,0,0]=4 390 B7R1.2 C[C@@H]1CC[C@@H](C1)C CNP0177457.1 [0,0,0,1,0,1|2,0,0]=4 391 B7R1.2 C[C@@H]1CC[C@@H](O1)C CNP0230648.1 [0,0,0,1,0,1|2,0,0]=4 392 B7R1.2 C[C@@H]1SS[C@@H](S1)C CNP0162364.1 [0,0,0,1,0,1|0,0,0]=2 393 B7R1.4 CC1=C(CCS1)S CNP0191881.0 [0,1,0,1,0,0|0,0,2]=4 394 B7R1.4 CC1OCCC1O CNP0002607.0 [0,1,0,1,0,0|0,2,0]=4 395 B7R1.4 CC1OCCC1S CNP0002942.0 [0,1,0,1,0,0|0,1,0]=3 396 B7R1.4 CC1SCCC1=O CNP0395315.0 [0,1,0,1,0,0|0,1,1]=4 397 B7R1.4 CC1SCCC1O CNP0179885.0 [0,1,0,1,0,0|0,1,0]=3 398 B7R1.4 CC1SCCC1S CNP0002610.0 [0,1,0,1,0,0|0,0,0]=2 399 B7R1.4 C[C@@H]1CCC[C@@H]1C CNP0306021.2 [0,1,0,1,0,0|2,0,0]=4 400 B7R1.4 C[C@@H]1CCC[C@H]1C CNP0306021.3 [0,1,0,1,0,0|2,0,0]=4 401 B7R1.4 C[C@@H]1CCC[C@H]1O CNP0569064.1 [0,1,0,1,0,0|1,1,0]=4 402 B7R1.4 C[C@@H]1CSS[C@H]1C CNP0278388.1 [0,1,0,1,0,0|0,0,0]=2 403 B7R1.4 C[C@H]1CCC[C@@H]1C CNP0306021.1 [0,1,0,1,0,0|2,0,0]=4 404 B7R1.4 N[C@@H]1CSC[C@@H]1O CNP0364292.4 [0,1,0,1,0,0|1,1,0]=4 405 B7R1.4 N[C@@H]1CSC[C@H]1O CNP0364292.3 [0,1,0,1,0,0|1,1,0]=4 406 B7R1.4 O=C1COCC1S CNP0188638.0 [0,1,0,1,0,0|0,1,1]=4 407 B7R1.4 OC1CCCC1O CNP0519159.0 [0,1,0,1,0,0|0,2,0]=4 408 B7R1.4 O[C@@H]1COC[C@@H]1O CNP0326371.1 [0,1,0,1,0,0|0,2,0]=4 409 B7R1.4 O[C@@H]1COC[C@H]1O CNP0326371.2 [0,1,0,1,0,0|0,2,0]=4 410 B7R1.4 O[C@H]1COC[C@@H]1O CNP0326371.3 [0,1,0,1,0,0|0,2,0]=4 411 B7R1.4 SC1CCCC1S CNP0098071.0 [0,1,0,1,0,0|0,0,0]=2 412 B7R1.8 CCC1CCC1O CNP0521190.0 [0,1,0,1,0,0|1,1,0]=4 413 B7R1.18 CC(=O)C1CCS1 CNP0002501.0 [0,1,0,1,0,0|0,1,1]=4 414 B7R1.22 COC(=O)C1CS1 CNP0508742.0 [0,1,0,1,0,0|0,1,1]=4 415 B7R1.23 CCC1OC1(C)C CNP0495056.0 [0,1,0,1,0,0|1,1,0]=4 416 B7R0.6 CC(C)CCC(C)C CNP0238949.0 [0,0,0,0,0,2|2,0,0]=4 417 B7R0.6 CC(C)SSC(C)C CNP0325954.0 [0,0,0,0,0,2|2,0,0]=4 418 B7R0.6 CC(O)C=CC(C)O CNP0301514.0 [0,0,0,0,0,2|0,2,0]=4 419 B7R0.6 CC(O)COC(C)C CNP0503370.0 [0,0,0,0,0,2|1,1,0]=4