0 B6R0.1 C#C[C@@H](O)CCC CNP0226736.1 [0,0,0,0,0,0|1,0,3]=4 1 B6R0.1 C#C[C@H](O)CCC CNP0226736.2 [0,0,0,0,0,0|1,0,3]=4 2 B6R0.1 C=C(CO)CCO CNP0082069.0 [0,0,0,0,0,0|4,0,0]=4 3 B6R0.1 C=C([CH]CC)CC CNP0529223.0 [0,0,0,0,0,0|2,0,1]=3 4 B6R0.1 C=CC(=O)CCC CNP0162905.0 [0,0,0,0,0,0|1,0,1]=2 5 B6R0.1 C=CC(=O)OCC CNP0197495.0 [0,0,0,0,0,0|2,0,1]=3 6 B6R0.1 C=CCC(=O)CC CNP0580605.0 [0,0,0,0,0,0|1,0,2]=3 7 B6R0.1 C=CCS(=S)OC CNP0557318.0 [0,0,0,0,0,0|1,1,2]=4 8 B6R0.1 C=C[C@H](O)CCC CNP0193104.1 [0,0,0,0,0,0|1,0,3]=4 9 B6R0.1 CC=C(C)CSC CNP0003230.0 [0,0,0,0,0,0|3,0,0]=3 10 B6R0.1 CC=CC(=CC)C CNP0535908.0 [0,0,0,0,0,0|2,0,2]=4 11 B6R0.1 CC=CC(=O)CC CNP0127812.0 [0,0,0,0,0,0|1,0,2]=3 12 B6R0.1 CC=CC(=O)OC CNP0003452.0 [0,0,0,0,0,0|0,0,2]=2 13 B6R0.1 CC=CS(=S)OC CNP0560483.0 [0,0,0,0,0,0|1,1,2]=4 14 B6R0.1 CCC(=O)CSC CNP0170567.0 [0,0,0,0,0,0|2,0,0]=2 15 B6R0.1 CCC(Br)CCBr CNP0612222.0 [0,0,0,0,0,0|3,0,1]=4 16 B6R0.1 CCC=C(C)C=O CNP0245615.0 [0,0,0,0,0,0|3,0,1]=4 17 B6R0.1 CCC=C(C)CO CNP0511576.0 [0,0,0,0,0,0|3,0,1]=4 18 B6R0.1 CCCC(=NO)C CNP0211014.0 [0,0,0,0,0,0|3,0,0]=3 19 B6R0.1 CCCC(=O)C#N CNP0204240.0 [0,0,0,0,0,0|2,0,0]=2 20 B6R0.1 CCCC(=O)C=O CNP0111121.0 [0,0,0,0,0,0|2,0,0]=2 21 B6R0.1 CCCC(=O)CC CNP0248158.0 [0,0,0,0,0,0|1,0,0]=1 22 B6R0.1 CCCC(=O)CO CNP0084314.0 [0,0,0,0,0,0|2,0,0]=2 23 B6R0.1 CCCC(=O)OC CNP0159910.0 [0,0,0,0,0,0|0,0,0]=0 24 B6R0.1 CCCC(=O)SC CNP0084452.0 [0,0,0,0,0,0|0,1,0]=1 25 B6R0.1 CCCC(C)C#N CNP0583202.0 [0,0,0,0,0,0|3,0,1]=4 26 B6R0.1 CCC[C@@H](C)C=O CNP0370387.1 [0,0,0,0,0,0|3,0,1]=4 27 B6R0.1 CCC[C@@H](C)CC CNP0407855.1 [0,0,0,0,0,0|2,0,1]=3 28 B6R0.1 CCC[C@@H](C)CO CNP0356704.1 [0,0,0,0,0,0|3,0,1]=4 29 B6R0.1 CCC[C@@H](C)SC CNP0188673.1 [0,0,0,0,0,0|1,1,1]=3 30 B6R0.1 CCC[C@@H](O)CC CNP0346810.2 [0,0,0,0,0,0|1,0,2]=3 31 B6R0.1 CCC[C@H](C)CC CNP0407855.2 [0,0,0,0,0,0|2,0,1]=3 32 B6R0.1 CCC[C@H](C)CO CNP0356704.2 [0,0,0,0,0,0|3,0,1]=4 33 B6R0.1 CCC[C@H](C)NC CNP0298650.1 [0,0,0,0,0,0|2,0,1]=3 34 B6R0.1 CCC[C@H](O)CC CNP0346810.1 [0,0,0,0,0,0|1,0,2]=3 35 B6R0.1 CCC[S+]([O-])SC CNP0596263.0 [0,0,0,0,0,0|1,1,1]=3 36 B6R0.1 CCNC(=O)CC CNP0586892.0 [0,0,0,0,0,0|2,0,0]=2 37 B6R0.1 CCNC(=O)OC CNP0585352.0 [0,0,0,0,0,0|1,0,0]=1 38 B6R0.1 CCOC(=O)C=O CNP0218484.0 [0,0,0,0,0,0|3,0,0]=3 39 B6R0.1 CCOC(=O)CC CNP0169171.0 [0,0,0,0,0,0|2,0,0]=2 40 B6R0.1 CCOC(=O)CI CNP0158474.0 [0,0,0,0,0,0|3,0,0]=3 41 B6R0.1 CCOC(=O)NC CNP0565390.0 [0,0,0,0,0,0|2,0,0]=2 42 B6R0.1 CCOC(C)CC CNP0086282.0 [0,0,0,0,0,0|3,0,1]=4 43 B6R0.1 CCOC(C)OC CNP0612171.0 [0,0,0,0,0,0|2,0,1]=3 44 B6R0.1 CCO[C@H](C)OO CNP0135079.1 [0,0,0,0,0,0|3,0,1]=4 45 B6R0.1 CCSC(=O)CC CNP0265303.0 [0,0,0,0,0,0|2,0,0]=2 46 B6R0.1 CCSC(C)SC CNP0611888.0 [0,0,0,0,0,0|2,1,1]=4 47 B6R0.1 CCSC(S)CC CNP0488688.0 [0,0,0,0,0,0|2,1,1]=4 48 B6R0.1 CC[C@@H](C)CCO CNP0260863.2 [0,0,0,0,0,0|3,0,1]=4 49 B6R0.1 CC[C@H](C)CCO CNP0260863.1 [0,0,0,0,0,0|3,0,1]=4 50 B6R0.1 CNC(=S)NCO CNP0487489.0 [0,0,0,0,0,0|3,1,0]=4 51 B6R0.1 CNCC(=O)OC CNP0311286.0 [0,0,0,0,0,0|1,0,0]=1 52 B6R0.1 COC(=O)C#CBr CNP0419364.0 [0,0,0,0,0,0|1,0,2]=3 53 B6R0.1 COC(=O)C=CBr CNP0321764.0 [0,0,0,0,0,0|1,0,2]=3 54 B6R0.1 COC(=O)C=CI CNP0190700.0 [0,0,0,0,0,0|1,0,2]=3 55 B6R0.1 COC(=O)C=NO CNP0235637.0 [0,0,0,0,0,0|2,0,1]=3 56 B6R0.1 COC(=O)CC=O CNP0187576.0 [0,0,0,0,0,0|1,0,1]=2 57 B6R0.1 COC(=O)CSC CNP0189712.0 [0,0,0,0,0,0|1,0,0]=1 58 B6R0.1 COCC(=O)OC CNP0202591.0 [0,0,0,0,0,0|1,0,0]=1 59 B6R0.1 O=CC(=O)CCO CNP0294743.0 [0,0,0,0,0,0|3,0,0]=3 60 B5R0.1 C#CCC(=O)O CNP0049385.0 [1,0,0,0,0,0|0,0,2]=3 61 B5R0.1 C=C(Br)CCO CNP0595001.0 [1,0,0,0,0,0|2,0,1]=4 62 B5R0.1 C=C(C)C=CC CNP0348667.0 [1,0,0,0,0,0|1,0,2]=4 63 B5R0.1 C=C(C)CCC CNP0179329.0 [1,0,0,0,0,0|1,0,0]=2 64 B5R0.1 C=C(C)CCO CNP0285127.0 [1,0,0,0,0,0|2,0,0]=3 65 B5R0.1 C=C(O)CCC CNP0003382.0 [1,0,0,0,0,0|1,0,0]=2 66 B5R0.1 C=CCC(=O)C CNP0385825.0 [1,0,0,0,0,0|0,0,2]=3 67 B5R0.1 C=CCC(=O)N CNP0292806.0 [1,0,0,0,0,0|1,0,2]=4 68 B5R0.1 C=CCC(=O)O CNP0172155.0 [1,0,0,0,0,0|0,0,2]=3 69 B5R0.1 C=COC(=O)C CNP0003526.0 [1,0,0,0,0,0|1,0,2]=4 70 B5R0.1 CC(=CCO)C CNP0241702.0 [1,0,0,0,0,0|2,0,1]=4 71 B5R0.1 CC(=CCS)C CNP0262600.0 [1,0,0,0,0,0|2,0,1]=4 72 B5R0.1 CC(=O)C=NO CNP0397193.0 [1,0,0,0,0,0|2,0,1]=4 73 B5R0.1 CC(=O)CCO CNP0251527.0 [1,0,0,0,0,0|1,0,0]=2 74 B5R0.1 CC(=O)CCS CNP0404753.0 [1,0,0,0,0,0|1,0,0]=2 75 B5R0.1 CC(=O)OCS CNP0547679.0 [1,0,0,0,0,0|2,0,0]=3 76 B5R0.1 CC(C)CCN CNP0107663.0 [1,0,0,0,0,0|2,0,1]=4 77 B5R0.1 CC(C)CCO CNP0115711.0 [1,0,0,0,0,0|2,0,1]=4 78 B5R0.1 CC(C)CCS CNP0222694.0 [1,0,0,0,0,0|2,0,1]=4 79 B5R0.1 CC(O)CCS CNP0002409.0 [1,0,0,0,0,0|1,0,2]=4 80 B5R0.1 CC(S)CCS CNP0003105.0 [1,0,0,0,0,0|1,1,1]=4 81 B5R0.1 CC=CC(=O)C CNP0158055.0 [1,0,0,0,0,0|0,0,2]=3 82 B5R0.1 CC=CC(=O)Cl CNP0018733.0 [1,0,0,0,0,0|1,0,2]=4 83 B5R0.1 CC=CC(=O)N CNP0376163.0 [1,0,0,0,0,0|1,0,2]=4 84 B5R0.1 CC=CC(=O)O CNP0379669.0 [1,0,0,0,0,0|0,0,2]=3 85 B5R0.1 CC=CC(=O)S CNP0128183.0 [1,0,0,0,0,0|0,1,2]=4 86 B5R0.1 CCC=C(C)C CNP0331653.0 [1,0,0,0,0,0|1,0,1]=3 87 B5R0.1 CCC=C(C)O CNP0225775.0 [1,0,0,0,0,0|0,0,2]=3 88 B5R0.1 CCCC(=O)C CNP0169448.0 [1,0,0,0,0,0|0,0,0]=1 89 B5R0.1 CCCC(=O)N CNP0115101.0 [1,0,0,0,0,0|1,0,0]=2 90 B5R0.1 CCCC(=O)O CNP0259447.0 [1,0,0,0,0,0|0,0,0]=1 91 B5R0.1 CCCC(=O)[O-] CNP0521413.0 [1,0,0,0,0,0|0,0,1]=2 92 B5R0.1 CCCC(C)C CNP0319065.0 [1,0,0,0,0,0|1,0,1]=3 93 B5R0.1 CCCC(C)S CNP0029638.0 [1,0,0,0,0,0|0,1,1]=3 94 B5R0.1 CCCC(O)O CNP0076336.0 [1,0,0,0,0,0|0,0,2]=3 95 B5R0.1 CCCS(=S)O CNP0558357.0 [1,0,0,0,0,0|1,1,0]=3 96 B5R0.1 CCC[C@@H](C)O CNP0287976.1 [1,0,0,0,0,0|0,0,2]=3 97 B5R0.1 CCC[C@H](C)O CNP0287976.2 [1,0,0,0,0,0|0,0,2]=3 98 B5R0.1 CCNC(=O)C CNP0260078.0 [1,0,0,0,0,0|1,0,0]=2 99 B5R0.1 CCNC(=S)N CNP0415621.0 [1,0,0,0,0,0|2,1,0]=4 100 B5R0.1 CCOC(=O)C CNP0322418.0 [1,0,0,0,0,0|1,0,0]=2 101 B5R0.1 CCOC(=O)N CNP0336700.0 [1,0,0,0,0,0|2,0,0]=3 102 B5R0.1 CCOC(=O)O CNP0166515.0 [1,0,0,0,0,0|1,0,0]=2 103 B5R0.1 CCOC(C)C CNP0604172.0 [1,0,0,0,0,0|2,0,1]=4 104 B5R0.1 CCO[13C](=O)C CNP0577601.0 [1,0,0,0,0,0|1,0,0]=2 105 B5R0.1 CCSC(=N)N CNP0528738.0 [1,0,0,0,0,0|3,0,0]=4 106 B5R0.1 CCSC(=O)C CNP0274861.0 [1,0,0,0,0,0|1,0,0]=2 107 B5R0.1 CCSC(C)C CNP0254931.0 [1,0,0,0,0,0|2,0,1]=4 108 B5R0.1 CCSC(C)S CNP0579398.0 [1,0,0,0,0,0|1,1,1]=4 109 B5R0.1 CC[Se]C(=N)N CNP0601350.0 [1,0,0,0,0,0|3,0,0]=4 110 B5R0.1 CN(C)CCCl CNP0328789.0 [1,0,0,0,0,0|3,0,0]=4 111 B5R0.1 CN(C)CCO CNP0230038.0 [1,0,0,0,0,0|3,0,0]=4 112 B5R0.1 CNCC(=O)O CNP0307073.0 [1,0,0,0,0,0|1,0,0]=2 113 B5R0.1 CNCC(=O)O CNP0563704.0 [1,0,0,0,0,0|1,0,0]=2 114 B5R0.1 CNCC(=O)[O-] CNP0565920.0 [1,0,0,0,0,0|1,0,1]=3 115 B5R0.1 CNCC(C)C CNP0273998.0 [1,0,0,0,0,0|2,0,1]=4 116 B5R0.1 COCC(=O)C CNP0581024.0 [1,0,0,0,0,0|1,0,0]=2 117 B5R0.1 COCC(=O)O CNP0343219.0 [1,0,0,0,0,0|1,0,0]=2 118 B5R0.1 COCC(C)C CNP0528468.0 [1,0,0,0,0,0|2,0,1]=4 119 B5R0.1 CSCC(=O)C CNP0002513.0 [1,0,0,0,0,0|1,0,0]=2 120 B5R0.1 CSCC(=O)O CNP0447839.0 [1,0,0,0,0,0|1,0,0]=2 121 B5R0.1 CSCC(C)C CNP0405087.0 [1,0,0,0,0,0|2,0,1]=4 122 B5R0.1 CSC[S@+](C)[O-] CNP0604118.1 [1,0,0,0,0,0|2,0,1]=4 123 B5R0.1 C[C@@H](O)CCO CNP0110972.2 [1,0,0,0,0,0|1,0,2]=4 124 B5R0.1 C[C@H](O)CCO CNP0110972.1 [1,0,0,0,0,0|1,0,2]=4 125 B5R0.1 C[Se]CC(=O)O CNP0526449.0 [1,0,0,0,0,0|1,0,0]=2 126 B5R0.1 C[Te]CC(=O)O CNP0537189.0 [1,0,0,0,0,0|1,0,0]=2 127 B5R0.1 N#CCC(=O)N CNP0086390.0 [1,0,0,0,0,0|2,0,1]=4 128 B5R0.1 N#CCC(=O)O CNP0269115.0 [1,0,0,0,0,0|1,0,1]=3 129 B5R0.1 NCCC(=O)O CNP0226336.0 [1,0,0,0,0,0|1,0,0]=2 130 B5R0.1 NCCP(=O)O CNP0498602.0 [1,0,0,0,0,0|2,0,0]=3 131 B5R0.1 NCC[S@@](=O)O CNP0211926.2 [1,0,0,0,0,0|2,0,0]=3 132 B5R0.1 NCC[S@](=O)O CNP0211926.1 [1,0,0,0,0,0|2,0,0]=3 133 B5R0.1 NCNC(=O)N CNP0046326.0 [1,0,0,0,0,0|3,0,0]=4 134 B5R0.1 NOCC(=O)O CNP0293826.0 [1,0,0,0,0,0|2,0,0]=3 135 B5R0.1 O=C(O)C=CBr CNP0310992.0 [1,0,0,0,0,0|1,0,2]=4 136 B5R0.1 O=C(O)C=CCl CNP0293481.0 [1,0,0,0,0,0|1,0,2]=4 137 B5R0.1 O=C(O)C=CI CNP0239582.0 [1,0,0,0,0,0|1,0,2]=4 138 B5R0.1 O=C(O)C=NO CNP0286362.0 [1,0,0,0,0,0|2,0,1]=4 139 B5R0.1 O=C(O)CCO CNP0228379.0 [1,0,0,0,0,0|1,0,0]=2 140 B5R0.1 O=C(O)CCS CNP0097385.0 [1,0,0,0,0,0|1,0,0]=2 141 B5R0.1 O=C(O)CNO CNP0316873.0 [1,0,0,0,0,0|2,0,0]=3 142 B5R0.1 O=CCC(=O)O CNP0149091.0 [1,0,0,0,0,0|1,0,1]=3 143 B5R0.1 O=[N+]([O-])CCO CNP0479078.0 [1,0,0,0,0,0|2,0,1]=4 144 B5R0.1 [C-]#[N+]CC(=O)O CNP0534475.0 [1,0,0,0,0,0|1,0,1]=3 145 B5R0.2 C=CC=CCC CNP0495438.0 [1,0,0,0,0,0|1,0,2]=4 146 B5R0.2 C=CCC=CC CNP0292090.0 [1,0,0,0,0,0|1,0,2]=4 147 B5R0.2 C=CCCCC CNP0264947.0 [1,0,0,0,0,0|1,0,2]=4 148 B5R0.2 CC#CCCO CNP0515871.0 [1,0,0,0,0,0|2,0,1]=4 149 B5R0.2 CC=C=COC CNP0519318.0 [1,0,0,0,0,0|0,0,2]=3 150 B5R0.2 CC=CC=CC CNP0611428.0 [1,0,0,0,0,0|1,0,2]=4 151 B5R0.2 CC=CCC#N CNP0080085.0 [1,0,0,0,0,0|2,0,1]=4 152 B5R0.2 CC=CCC=O CNP0167409.0 [1,0,0,0,0,0|2,0,1]=4 153 B5R0.2 CC=CCCC CNP0419577.0 [1,0,0,0,0,0|1,0,0]=2 154 B5R0.2 CC=CCCO CNP0253382.0 [1,0,0,0,0,0|2,0,0]=3 155 B5R0.2 CC=CSSC CNP0214071.0 [1,0,0,0,0,0|3,0,0]=4 156 B5R0.2 CCC=CC#N CNP0080058.0 [1,0,0,0,0,0|2,0,1]=4 157 B5R0.2 CCC=CC=O CNP0328747.0 [1,0,0,0,0,0|2,0,1]=4 158 B5R0.2 CCC=CCO CNP0239009.0 [1,0,0,0,0,0|2,0,1]=4 159 B5R0.2 CCC=CSC CNP0068372.0 [1,0,0,0,0,0|0,1,1]=3 160 B5R0.2 CCC=CSO CNP0458289.0 [1,0,0,0,0,0|1,1,1]=4 161 B5R0.2 CCC=NNC CNP0543863.0 [1,0,0,0,0,0|2,0,1]=4 162 B5R0.2 CCCC=CO CNP0247153.0 [1,0,0,0,0,0|2,0,0]=3 163 B5R0.2 CCCC=NO CNP0071145.0 [1,0,0,0,0,0|2,0,0]=3 164 B5R0.2 CCCCC#N CNP0357663.0 [1,0,0,0,0,0|2,0,1]=4 165 B5R0.2 CCCCC=O CNP0361186.0 [1,0,0,0,0,0|2,0,1]=4 166 B5R0.2 CCCCCBr CNP0018690.0 [1,0,0,0,0,0|2,0,1]=4 167 B5R0.2 CCCCCC CNP0269021.0 [1,0,0,0,0,0|1,0,1]=3 168 B5R0.2 CCCCCI CNP0017763.0 [1,0,0,0,0,0|2,0,1]=4 169 B5R0.2 CCCCCN CNP0203183.0 [1,0,0,0,0,0|2,0,1]=4 170 B5R0.2 CCCCCO CNP0244882.0 [1,0,0,0,0,0|2,0,1]=4 171 B5R0.2 CCCCCS CNP0260876.0 [1,0,0,0,0,0|2,0,1]=4 172 B5R0.2 CCCCNC CNP0277639.0 [1,0,0,0,0,0|1,0,1]=3 173 B5R0.2 CCCCOC CNP0609033.0 [1,0,0,0,0,0|0,0,1]=2 174 B5R0.2 CCCCSC CNP0562965.0 [1,0,0,0,0,0|0,1,1]=3 175 B5R0.2 CCCC[S+]=O CNP0521772.0 [1,0,0,0,0,0|1,1,1]=4 176 B5R0.2 CCCN=C=S CNP0077279.0 [1,0,0,0,0,0|3,0,0]=4 177 B5R0.2 CCCOC=O CNP0326097.0 [1,0,0,0,0,0|3,0,0]=4 178 B5R0.2 CCCSC#N CNP0395197.0 [1,0,0,0,0,0|3,0,0]=4 179 B5R0.2 CCCSCC CNP0316215.0 [1,0,0,0,0,0|2,0,0]=3 180 B5R0.2 CCCSSC CNP0296815.0 [1,0,0,0,0,0|1,1,0]=3 181 B5R0.2 CCNCCN CNP0281269.0 [1,0,0,0,0,0|3,0,0]=4 182 B5R0.2 CCNCCO CNP0396370.0 [1,0,0,0,0,0|3,0,0]=4 183 B5R0.2 CCOCCO CNP0319988.0 [1,0,0,0,0,0|3,0,0]=4 184 B5R0.2 CCSCCN CNP0506731.0 [1,0,0,0,0,0|3,0,0]=4 185 B5R0.2 CCSSCC CNP0416624.0 [1,0,0,0,0,0|3,0,0]=4 186 B5R0.2 CCSSSC CNP0407481.0 [1,0,0,0,0,0|2,1,0]=4 187 B5R0.2 CNCCNC CNP0480039.0 [1,0,0,0,0,0|2,0,1]=4 188 B5R0.2 COC=COC CNP0416791.0 [1,0,0,0,0,0|1,0,1]=3 189 B5R0.2 COCCOC CNP0144142.0 [1,0,0,0,0,0|1,0,1]=3 190 B5R0.2 CSC=CSC CNP0075985.0 [1,0,0,0,0,0|1,1,1]=4 191 B5R0.2 CSCCCN CNP0348726.0 [1,0,0,0,0,0|1,1,1]=4 192 B5R0.2 CSCCCO CNP0359993.0 [1,0,0,0,0,0|1,1,1]=4 193 B5R0.2 CSCSSC CNP0313036.0 [1,0,0,0,0,0|2,1,0]=4 194 B5R0.2 [C-]#[N+]CCCC CNP0522879.0 [1,0,0,0,0,0|1,0,2]=4 195 B5R0.3 C#CC(=O)OC CNP0572702.0 [1,0,0,0,0,0|0,0,2]=3 196 B5R0.3 C=C(C#N)CC CNP0541651.0 [1,0,0,0,0,0|3,0,0]=4 197 B5R0.3 C=C(C=O)CC CNP0542605.0 [1,0,0,0,0,0|3,0,0]=4 198 B5R0.3 C=CC(=O)CC CNP0362181.0 [1,0,0,0,0,0|1,0,1]=3 199 B5R0.3 C=CC(=O)OC CNP0217866.0 [1,0,0,0,0,0|0,0,2]=3 200 B5R0.3 CC=C(C)CC CNP0247687.0 [1,0,0,0,0,0|2,0,0]=3 201 B5R0.3 CC=C(C)CO CNP0120418.0 [1,0,0,0,0,0|3,0,0]=4 202 B5R0.3 CCC(=CS)C CNP0025997.0 [1,0,0,0,0,0|3,0,0]=4 203 B5R0.3 CCC(=O)C=O CNP0301331.0 [1,0,0,0,0,0|2,0,0]=3 204 B5R0.3 CCC(=O)CC CNP0270305.0 [1,0,0,0,0,0|1,0,0]=2 205 B5R0.3 CCC(=O)CO CNP0165007.0 [1,0,0,0,0,0|2,0,0]=3 206 B5R0.3 CCC(=O)NN CNP0281170.0 [1,0,0,0,0,0|2,0,0]=3 207 B5R0.3 CCC(=O)OC CNP0166631.0 [1,0,0,0,0,0|0,0,0]=1 208 B5R0.3 CCC(=O)SC CNP0240172.0 [1,0,0,0,0,0|0,1,0]=2 209 B5R0.3 CCC(C)CC CNP0316485.0 [1,0,0,0,0,0|2,0,1]=4 210 B5R0.3 CCC(N)CC CNP0103985.0 [1,0,0,0,0,0|2,0,1]=4 211 B5R0.3 CCC(N)NC CNP0278870.0 [1,0,0,0,0,0|2,0,1]=4 212 B5R0.3 CCC(O)CC CNP0293075.0 [1,0,0,0,0,0|1,0,2]=4 213 B5R0.3 CCC(S)SC CNP0609154.0 [1,0,0,0,0,0|0,2,1]=4 214 B5R0.3 CC[C@H](C)NC CNP0236959.1 [1,0,0,0,0,0|2,0,1]=4 215 B5R0.3 CC[S+](C)CC CNP0038064.0 [1,0,0,0,0,0|3,0,0]=4 216 B5R0.3 CC[S](C)CC CNP0523180.0 [1,0,0,0,0,0|3,0,0]=4 217 B5R0.3 CNC(=N)NC CNP0404528.0 [1,0,0,0,0,0|3,0,0]=4 218 B5R0.3 CNC(=O)NC CNP0028412.0 [1,0,0,0,0,0|2,0,0]=3 219 B5R0.3 CNC(=O)OC CNP0483114.0 [1,0,0,0,0,0|1,0,0]=2 220 B5R0.3 COC(=O)CI CNP0017842.0 [1,0,0,0,0,0|1,0,0]=2 221 B5R0.3 COC(=O)NN CNP0033099.0 [1,0,0,0,0,0|2,0,0]=3 222 B5R0.3 COC(C)CO CNP0485411.0 [1,0,0,0,0,0|2,0,1]=4 223 B5R0.3 COC(C)OC CNP0122626.0 [1,0,0,0,0,0|2,0,1]=4 224 B5R0.3 NCC(=O)NO CNP0470573.0 [1,0,0,0,0,0|3,0,0]=4 225 B5R0.3 O=C(CBr)CBr CNP0132836.0 [1,0,0,0,0,0|3,0,0]=4 226 B5R0.3 O=C(CBr)CI CNP0145168.0 [1,0,0,0,0,0|3,0,0]=4 227 B5R0.3 O=C(CCl)CBr CNP0149884.0 [1,0,0,0,0,0|3,0,0]=4 228 B5R0.3 O=C(CCl)CCl CNP0301990.0 [1,0,0,0,0,0|3,0,0]=4 229 B5R0.3 O=C(CCl)CI CNP0408833.0 [1,0,0,0,0,0|3,0,0]=4 230 B5R0.3 O=C(CO)CCl CNP0281226.0 [1,0,0,0,0,0|3,0,0]=4 231 B5R0.3 O=C(CO)CO CNP0303926.0 [1,0,0,0,0,0|3,0,0]=4 232 B5R0.3 [O]CC(=O)CCl CNP0505790.0 [1,0,0,0,0,0|3,0,0]=4 233 B7R0.2 C=CC(=O)NC(C)C CNP0414888.0 [0,1,0,0,0,0|2,0,1]=4 234 B7R0.2 CC(C)CC(=O)C#N CNP0113699.0 [0,1,0,0,0,0|2,0,0]=3 235 B7R0.2 CCC(=O)C=C(C)C CNP0540144.0 [0,1,0,0,0,0|1,0,2]=4 236 B7R0.2 CCC(=O)CC(=O)O CNP0066606.0 [0,1,0,0,0,0|2,0,1]=4 237 B7R0.2 CCC(=O)CC(C)C CNP0284484.0 [0,1,0,0,0,0|1,0,0]=2 238 B7R0.2 CCC(=O)NC(=O)C CNP0168988.0 [0,1,0,0,0,0|2,0,1]=4 239 B7R0.2 CCC(=O)OC(C)C CNP0250066.0 [0,1,0,0,0,0|2,0,0]=3 240 B7R0.2 CC[C@H](C)CC(C)C CNP0229015.1 [0,1,0,0,0,0|2,0,1]=4 241 B7R0.2 CN(C)CC(=O)NN CNP0250241.0 [0,1,0,0,0,0|3,0,0]=4 242 B7R0.2 CNC(=O)NC(=O)C CNP0066396.0 [0,1,0,0,0,0|2,0,1]=4 243 B7R0.2 COC(=CC(=O)C)C CNP0350005.0 [0,1,0,0,0,0|1,0,2]=4 244 B7R0.2 COC(=O)C=C(C)C CNP0329537.0 [0,1,0,0,0,0|0,0,2]=3 245 B7R0.2 COC(=O)CC(=O)C CNP0086286.0 [0,1,0,0,0,0|0,0,1]=2 246 B7R0.2 COC(=O)CC(=O)O CNP0461449.0 [0,1,0,0,0,0|1,0,1]=3 247 B7R0.2 COC(=O)CC(C)C CNP0289344.0 [0,1,0,0,0,0|0,0,0]=1 248 B7R0.2 COC(=O)CC(C)S CNP0050854.0 [0,1,0,0,0,0|0,0,0]=1 249 B7R0.2 COC(=O)CN(C)C CNP0318263.0 [0,1,0,0,0,0|1,0,0]=2 250 B7R0.2 COC(=O)C[C@@H](C)N CNP0127877.1 [0,1,0,0,0,0|0,0,0]=1 251 B7R0.2 COC(=O)C[C@H](C)O CNP0117417.1 [0,1,0,0,0,0|0,0,0]=1 252 B7R0.2 COC(=O)C[S+](C)C CNP0025669.0 [0,1,0,0,0,0|1,0,0]=2 253 B7R0.2 COC(=O)C[S](C)C CNP0539244.0 [0,1,0,0,0,0|1,0,0]=2 254 B7R0.2 COC(=O)NC(=O)N CNP0291245.0 [0,1,0,0,0,0|2,0,1]=4 255 B7R0.2 CSC(=O)CC(C)C CNP0084338.0 [0,1,0,0,0,0|0,1,0]=2 256 B7R0.3 C=C(C=O)CCCC CNP0555185.0 [0,1,0,0,0,0|3,0,0]=4 257 B7R0.3 C=C(CC)CCCC CNP0084703.0 [0,1,0,0,0,0|2,0,0]=3 258 B7R0.3 C=CC(=CCCC)C CNP0605951.0 [0,1,0,0,0,0|2,0,1]=4 259 B7R0.3 C=CC(=O)CCCC CNP0083902.0 [0,1,0,0,0,0|1,0,1]=3 260 B7R0.3 C=CC(=O)OCCO CNP0080032.0 [0,1,0,0,0,0|2,0,1]=4 261 B7R0.3 C=CCCC(=O)OC CNP0383041.0 [0,1,0,0,0,0|0,0,1]=2 262 B7R0.3 C=CCSC(=O)CC CNP0172366.0 [0,1,0,0,0,0|1,0,2]=4 263 B7R0.3 C=CCSS(=O)OC CNP0499912.0 [0,1,0,0,0,0|1,0,2]=4 264 B7R0.3 CCC(=O)CCSC CNP0003468.0 [0,1,0,0,0,0|1,0,0]=2 265 B7R0.3 CCC(=O)OCCO CNP0095595.0 [0,1,0,0,0,0|2,0,0]=3 266 B7R0.3 CCC(C)CCCO CNP0251541.0 [0,1,0,0,0,0|2,0,1]=4 267 B7R0.3 CCC=CC(=O)CC CNP0166330.0 [0,1,0,0,0,0|1,0,1]=3 268 B7R0.3 CCCC=C(C)CC CNP0263169.0 [0,1,0,0,0,0|2,0,0]=3 269 B7R0.3 CCCCC(=O)CC CNP0286726.0 [0,1,0,0,0,0|1,0,0]=2 270 B7R0.3 CCCCC(=O)OC CNP0184855.0 [0,1,0,0,0,0|0,0,0]=1 271 B7R0.3 CCCC[C@@H](C)CC CNP0161853.2 [0,1,0,0,0,0|2,0,1]=4 272 B7R0.3 CCCC[C@H](C)CC CNP0161853.1 [0,1,0,0,0,0|2,0,1]=4 273 B7R0.3 CCCC[C@H](O)CC CNP0102609.1 [0,1,0,0,0,0|1,0,2]=4 274 B7R0.3 CCCC[S@+]([O-])SC CNP0486483.1 [0,1,0,0,0,0|1,1,1]=4 275 B7R0.3 CCCC[S@H+]([O-])SC CNP0500798.1 [0,1,0,0,0,0|1,1,1]=4 276 B7R0.3 CCCNC(=S)NN CNP0494468.0 [0,1,0,0,0,0|2,1,0]=4 277 B7R0.3 CCCOC(=O)CC CNP0296678.0 [0,1,0,0,0,0|1,0,0]=2 278 B7R0.3 CCCSC(S)CC CNP0370062.0 [0,1,0,0,0,0|1,1,1]=4 279 B7R0.3 CCOCC(=O)OC CNP0306071.0 [0,1,0,0,0,0|0,0,0]=1 280 B7R0.3 CCOCC(=O)OCl CNP0310793.0 [0,1,0,0,0,0|1,0,0]=2 281 B7R0.3 CNC(=O)C=CSC CNP0255894.0 [0,1,0,0,0,0|1,0,2]=4 282 B7R0.3 COC(=O)C=CC#N CNP0257494.0 [0,1,0,0,0,0|0,0,3]=4 283 B7R0.3 COC(=O)CCC#N CNP0076214.0 [0,1,0,0,0,0|0,0,1]=2 284 B7R0.3 COC(=O)CCC=O CNP0246367.0 [0,1,0,0,0,0|0,0,1]=2 285 B7R0.3 COC(=O)CCSC CNP0302353.0 [0,1,0,0,0,0|0,0,0]=1 286 B7R0.3 COC=CC(=O)OC CNP0398712.0 [0,1,0,0,0,0|0,0,2]=3 287 B7R0.5 C=C(C)C(=O)OCC CNP0262350.0 [0,1,0,0,0,0|2,0,0]=3 288 B7R0.5 C=C(C)C(C)CCC CNP0602061.0 [0,1,0,0,0,0|2,0,1]=4 289 B7R0.5 C=C(CCO)C(C)C CNP0174657.0 [0,1,0,0,0,0|3,0,0]=4 290 B7R0.5 C=C(Cl)C(=O)OCC CNP0017723.0 [0,1,0,0,0,0|2,0,1]=4 291 B7R0.5 C=C(O)C(=O)OCC CNP0311886.0 [0,1,0,0,0,0|2,0,1]=4 292 B7R0.5 CC(=O)C(=O)CCO CNP0018467.0 [0,1,0,0,0,0|2,0,0]=3 293 B7R0.5 CCCC(=O)C(=O)C CNP0318298.0 [0,1,0,0,0,0|1,0,0]=2 294 B7R0.5 CCCC(=O)C(=O)N CNP0302137.0 [0,1,0,0,0,0|2,0,0]=3 295 B7R0.5 CCCC(=O)C(=O)O CNP0186110.0 [0,1,0,0,0,0|2,0,0]=3 296 B7R0.5 CCCC(=O)C(C)C CNP0310980.0 [0,1,0,0,0,0|1,0,0]=2 297 B7R0.5 CCCC(=O)[C@@H](C)O CNP0229678.1 [0,1,0,0,0,0|1,0,0]=2 298 B7R0.5 CCCC(=O)[C@H](C)O CNP0229678.2 [0,1,0,0,0,0|1,0,0]=2 299 B7R0.5 CCCC(C)C(=O)C CNP0145602.0 [0,1,0,0,0,0|2,0,1]=4 300 B7R0.5 CCC[C@@H](O)C(=O)C CNP0171062.1 [0,1,0,0,0,0|1,0,2]=4 301 B7R0.5 CCC[C@H](C)C(C)C CNP0153562.1 [0,1,0,0,0,0|2,0,1]=4 302 B7R0.5 CCOC(=O)C(=O)C CNP0125982.0 [0,1,0,0,0,0|2,0,0]=3 303 B7R0.5 CCOC(=O)C(Br)Br CNP0156394.0 [0,1,0,0,0,0|3,0,0]=4 304 B7R0.5 CCOC(=O)C(C)C CNP0230163.0 [0,1,0,0,0,0|2,0,0]=3 305 B7R0.5 CCOC(=O)C(C)S CNP0003364.0 [0,1,0,0,0,0|2,0,0]=3 306 B7R0.5 CCOC(=O)C(I)I CNP0017599.0 [0,1,0,0,0,0|3,0,0]=4 307 B7R0.5 CCOC(=O)[C@@H](C)O CNP0196373.1 [0,1,0,0,0,0|2,0,0]=3 308 B7R0.5 CCOC(=O)[C@@H](N)O CNP0223333.1 [0,1,0,0,0,0|3,0,0]=4 309 B7R0.5 CCOC(=O)[C@H](Br)I CNP0114584.1 [0,1,0,0,0,0|3,0,0]=4 310 B7R0.5 CCOC(=O)[C@H](C)O CNP0196373.2 [0,1,0,0,0,0|2,0,0]=3 311 B7R0.5 O=C(O)C(=O)CCO CNP0361332.0 [0,1,0,0,0,0|3,0,0]=4 312 B7R0.7 C=C(CCC)CCC CNP0515689.0 [0,1,0,0,0,0|2,0,0]=3 313 B7R0.7 C=C(OCC)OCC CNP0510072.0 [0,1,0,0,0,0|2,0,0]=3 314 B7R0.7 C=CCC(=O)OCC CNP0305215.0 [0,1,0,0,0,0|0,0,2]=3 315 B7R0.7 C=CCS(=O)OCC CNP0003495.0 [0,1,0,0,0,0|1,0,2]=4 316 B7R0.7 CC=CC(=O)CCC CNP0003369.0 [0,1,0,0,0,0|1,0,0]=2 317 B7R0.7 CC=CC(=O)OCC CNP0251499.0 [0,1,0,0,0,0|0,0,2]=3 318 B7R0.7 CC=CC(C)CCC CNP0084706.0 [0,1,0,0,0,0|2,0,1]=4 319 B7R0.7 CC=CC(O)CCC CNP0324750.0 [0,1,0,0,0,0|1,0,2]=4 320 B7R0.7 CCC=C(C)CCC CNP0345457.0 [0,1,0,0,0,0|2,0,0]=3 321 B7R0.7 CCCC(=O)CCC CNP0310318.0 [0,1,0,0,0,0|1,0,0]=2 322 B7R0.7 CCCC(=O)OCC CNP0232050.0 [0,1,0,0,0,0|0,0,0]=1 323 B7R0.7 CCCC(=S)OCC CNP0612025.0 [0,1,0,0,0,0|0,1,0]=2 324 B7R0.7 CCCC(C)CCC CNP0137963.0 [0,1,0,0,0,0|2,0,1]=4 325 B7R0.7 CCCC(O)CCC CNP0407378.0 [0,1,0,0,0,0|1,0,2]=4 326 B7R0.7 CCC[C@@H](C)CCO CNP0076379.1 [0,1,0,0,0,0|2,0,1]=4 327 B7R0.7 CCC[C@@H](C)SCC CNP0322285.1 [0,1,0,0,0,0|1,1,1]=4 328 B7R0.7 CCC[C@@H](S)CCO CNP0156811.1 [0,1,0,0,0,0|1,1,1]=4 329 B7R0.7 CCC[C@H](C)CCO CNP0076379.2 [0,1,0,0,0,0|2,0,1]=4 330 B7R0.7 CCC[C@H](C)OCC CNP0076637.1 [0,1,0,0,0,0|1,0,1]=3 331 B7R0.7 CCC[C@H](S)CCO CNP0156811.2 [0,1,0,0,0,0|1,1,1]=4 332 B7R0.7 CCOC(=O)C=CBr CNP0103315.0 [0,1,0,0,0,0|1,0,2]=4 333 B7R0.7 CCOC(=O)C=CCl CNP0155772.0 [0,1,0,0,0,0|1,0,2]=4 334 B7R0.7 CCOC(=O)C=CI CNP0229422.0 [0,1,0,0,0,0|1,0,2]=4 335 B7R0.7 CCOC(=O)CCS CNP0347470.0 [0,1,0,0,0,0|1,0,0]=2 336 B7R0.7 CCOC(=O)CNC CNP0575591.0 [0,1,0,0,0,0|1,0,0]=2 337 B7R0.7 CCOC(=O)CSC CNP0330528.0 [0,1,0,0,0,0|1,0,0]=2 338 B7R0.7 CCOC(=O)OCC CNP0167765.0 [0,1,0,0,0,0|1,0,0]=2 339 B7R0.7 CCOC(C)OCC CNP0177172.0 [0,1,0,0,0,0|2,0,1]=4 340 B7R0.7 CCOP(=O)OCC CNP0575132.0 [0,1,0,0,0,0|2,0,0]=3 341 B7R0.7 COCC(O)COC CNP0241402.0 [0,1,0,0,0,0|1,0,2]=4 342 B7R0.7 CSCC(=O)C=NO CNP0090357.0 [0,1,0,0,0,0|3,0,0]=4 343 B7R0.10 C=CC(=O)C(C)CC CNP0127244.0 [0,1,0,0,0,0|1,0,1]=3 344 B7R0.10 CC=C(C)C(=O)CC CNP0305910.0 [0,1,0,0,0,0|1,0,2]=4 345 B7R0.10 CC=C(C)C(=O)OC CNP0136936.0 [0,1,0,0,0,0|0,0,2]=3 346 B7R0.10 CCC(=O)C(=O)CC CNP0249046.0 [0,1,0,0,0,0|1,0,1]=3 347 B7R0.10 CCC(=O)[C@@H](C)CC CNP0326368.2 [0,1,0,0,0,0|1,0,0]=2 348 B7R0.10 CCC(=O)[C@H](C)CC CNP0326368.1 [0,1,0,0,0,0|1,0,0]=2 349 B7R0.10 CCC(O)C(=O)OC CNP0611994.0 [0,1,0,0,0,0|0,0,0]=1 350 B7R0.10 CC[C@@H](C)C(=O)OC CNP0253021.1 [0,1,0,0,0,0|0,0,0]=1 351 B7R0.10 CC[C@@H](C)[C@@H](C)CC CNP0380511.1 [0,1,0,0,0,0|2,0,1]=4 352 B7R0.10 CC[C@@H](O)[C@@H](C)CC CNP0328845.1 [0,1,0,0,0,0|1,0,2]=4 353 B7R0.10 CC[C@H](C)C(=O)OC CNP0253021.2 [0,1,0,0,0,0|0,0,0]=1 354 B7R0.10 CNC(=O)C(=O)NC CNP0130900.0 [0,1,0,0,0,0|2,0,1]=4 355 B7R0.10 CN[C@@H](C)C(=O)OC CNP0066351.2 [0,1,0,0,0,0|1,0,0]=2 356 B7R0.10 CN[C@H](C)C(=O)OC CNP0066351.1 [0,1,0,0,0,0|1,0,0]=2 357 B7R0.10 COC(=O)C(=CBr)Br CNP0300706.0 [0,1,0,0,0,0|1,0,2]=4 358 B7R0.10 COC(=O)C(=CCl)Cl CNP0234657.0 [0,1,0,0,0,0|1,0,2]=4 359 B7R0.10 COC(=O)C(=CI)I CNP0239828.0 [0,1,0,0,0,0|1,0,2]=4 360 B7R0.10 COC(=O)C(=O)OC CNP0349615.0 [0,1,0,0,0,0|1,0,1]=3 361 B7R0.10 COC(=O)C(C)CO CNP0487988.0 [0,1,0,0,0,0|1,0,0]=2 362 B7R0.10 COC(=O)[C@@H](N)CO CNP0398727.2 [0,1,0,0,0,0|1,0,0]=2 363 B7R0.10 COC(=O)[C@@H](N)CS CNP0178612.1 [0,1,0,0,0,0|1,0,0]=2 364 B7R0.10 COC(=O)[C@@H](O)CO CNP0269483.1 [0,1,0,0,0,0|1,0,0]=2 365 B7R0.10 COC(=O)[C@H](C)C=O CNP0094897.1 [0,1,0,0,0,0|1,0,1]=3 366 B7R0.10 COC(=O)[C@H](N)CS CNP0178612.2 [0,1,0,0,0,0|1,0,0]=2 367 B7R0.10 COC(=O)[C@H](O)CO CNP0269483.2 [0,1,0,0,0,0|1,0,0]=2 368 B7R0.10 O=C(CO)[C@@H](O)CO CNP0200270.1 [0,1,0,0,0,0|3,0,0]=4 369 B7R0.10 O=C(CO)[C@H](O)CO CNP0200270.2 [0,1,0,0,0,0|3,0,0]=4 370 B7R0.11 CCCC(C)(C)CC CNP0190081.0 [0,1,0,0,0,0|2,0,1]=4 371 B7R0.11 CCCC(C)(O)CC CNP0493821.0 [0,1,0,0,0,0|1,0,2]=4 372 B7R0.11 CCCS(=O)(=O)SC CNP0187882.0 [0,1,0,0,0,0|1,1,0]=3 373 B7R0.11 CCC[Si](Cl)(Cl)CC CNP0172768.0 [0,1,0,0,0,0|2,1,0]=4 374 B7R0.11 CCOC(C)(C)OC CNP0608393.0 [0,1,0,0,0,0|2,0,1]=4 375 B7R0.11 CSCS(=O)(=O)SC CNP0147013.0 [0,1,0,0,0,0|2,1,0]=4 376 B7R0.12 CC=C(C=O)CSC CNP0423167.0 [0,1,0,0,0,0|2,0,0]=3 377 B7R0.12 CCC=C(CC)CC CNP0530661.0 [0,1,0,0,0,0|2,0,1]=4 378 B7R0.12 CCCC(CC)CC CNP0154770.0 [0,1,0,0,0,0|2,0,1]=4 379 B7R0.12 CCCN(CC)CC CNP0172466.0 [0,1,0,0,0,0|3,0,0]=4 380 B7R0.12 COC[C@H](CO)OC CNP0279745.1 [0,1,0,0,0,0|1,0,2]=4 381 B7R1.1 CCC1=CCCC1 CNP0080677.0 [0,0,0,1,0,0|2,0,0]=3 382 B7R1.1 CCC1CCCC1 CNP0273207.0 [0,0,0,1,0,0|2,0,1]=4 383 B7R1.1 COC1=NC=CC1 CNP0549754.0 [0,0,0,1,0,0|1,0,2]=4 384 B7R1.1 COC1OCCO1 CNP0076084.0 [0,0,0,1,0,0|1,0,2]=4 385 B7R1.2 CC1=CC(=O)CC1 CNP0317275.0 [0,0,0,1,0,0|1,0,2]=4 386 B7R1.2 CC1=CC(=O)OC1 CNP0565176.0 [0,0,0,1,0,0|0,0,2]=3 387 B7R1.2 CC1=NC(CN1)C CNP0564639.0 [0,0,0,1,0,0|3,0,0]=4 388 B7R1.2 CC1=NC[C@@H](N1)C CNP0268657.1 [0,0,0,1,0,0|3,0,0]=4 389 B7R1.2 CC1C=C(CC1)O CNP0082123.0 [0,0,0,1,0,0|1,0,2]=4 390 B7R1.2 CC1C=CC(=O)O1 CNP0003646.0 [0,0,0,1,0,0|2,0,1]=4 391 B7R1.2 CC1CC(=CS1)S CNP0301304.0 [0,0,0,1,0,0|2,1,0]=4 392 B7R1.2 CC1CCC(=O)C1 CNP0601005.0 [0,0,0,1,0,0|1,0,0]=2 393 B7R1.2 CC1CCC(=O)S1 CNP0014457.0 [0,0,0,1,0,0|2,0,0]=3 394 B7R1.2 CC1CCC(C1)O CNP0608388.0 [0,0,0,1,0,0|1,0,2]=4 395 B7R1.2 CC1CNC(=O)C1 CNP0609130.0 [0,0,0,1,0,0|1,0,0]=2 396 B7R1.2 CC1COC(=O)O1 CNP0609065.0 [0,0,0,1,0,0|1,0,0]=2 397 B7R1.2 C[C@@H]1CCC(=O)O1 CNP0123835.1 [0,0,0,1,0,0|2,0,0]=3 398 B7R1.2 C[C@@H]1CC[C@@H](C1)C CNP0177457.1 [0,0,0,1,0,0|2,0,1]=4 399 B7R1.2 C[C@@H]1COC(=O)C1 CNP0323281.1 [0,0,0,1,0,0|0,0,0]=1 400 B7R1.2 C[C@H]1CCC(=O)O1 CNP0123835.2 [0,0,0,1,0,0|2,0,0]=3 401 B7R1.2 C[C@H]1COC(=O)C1 CNP0323281.2 [0,0,0,1,0,0|0,0,0]=1 402 B7R1.2 C[C@H]1COC(=S)N1 CNP0279656.1 [0,0,0,1,0,0|1,1,0]=3 403 B7R1.2 O=C1C=C(CO1)O CNP0181857.0 [0,0,0,1,0,0|1,0,2]=4 404 B7R1.2 O=C1C=CC(C1)O CNP0594515.0 [0,0,0,1,0,0|2,0,1]=4 405 B7R1.2 O=C1CCC(=O)C1 CNP0171251.0 [0,0,0,1,0,0|2,0,1]=4 406 B7R1.2 O=C1CC[C@@H](N1)O CNP0286097.2 [0,0,0,1,0,0|3,0,0]=4 407 B7R1.2 O=C1CC[C@H](N1)O CNP0286097.1 [0,0,0,1,0,0|3,0,0]=4 408 B7R1.2 O=C1C[C@@H](CN1)O CNP0188830.1 [0,0,0,1,0,0|2,0,0]=3 409 B7R1.2 O=C1C[C@@H](CO1)O CNP0174638.1 [0,0,0,1,0,0|1,0,0]=2 410 B7R1.2 O=C1C[C@H](CN1)O CNP0188830.2 [0,0,0,1,0,0|2,0,0]=3 411 B7R1.2 O=C1C[C@H](CO1)O CNP0174638.2 [0,0,0,1,0,0|1,0,0]=2 412 B7R1.3 BrC1CCCCC1 CNP0085881.0 [0,0,0,1,0,0|2,0,1]=4 413 B7R1.3 C=C1CCCCC1 CNP0312009.0 [0,0,0,1,0,0|2,0,0]=3 414 B7R1.3 CC1=CCCCC1 CNP0369235.0 [0,0,0,1,0,0|2,0,0]=3 415 B7R1.3 CC1CCCCC1 CNP0191222.0 [0,0,0,1,0,0|2,0,1]=4 416 B7R1.3 CC1CCCCO1 CNP0292894.0 [0,0,0,1,0,0|1,0,1]=3 417 B7R1.3 CC1CCOCO1 CNP0130543.0 [0,0,0,1,0,0|2,0,1]=4 418 B7R1.3 CN1CCCCC1 CNP0325316.0 [0,0,0,1,0,0|3,0,0]=4 419 B7R1.3 C[C@@H]1CCCCN1 CNP0238241.1 [0,0,0,1,0,0|2,0,1]=4 420 B7R1.3 C[C@@H]1OCCCS1 CNP0153942.1 [0,0,0,1,0,0|2,0,1]=4 421 B7R1.3 C[C@H]1CCCCN1 CNP0238241.2 [0,0,0,1,0,0|2,0,1]=4 422 B7R1.3 NC1CCCCC1 CNP0149842.0 [0,0,0,1,0,0|2,0,1]=4 423 B7R1.3 O=C1C=CCCC1 CNP0212151.0 [0,0,0,1,0,0|1,0,1]=3 424 B7R1.3 O=C1C=CCCN1 CNP0306654.0 [0,0,0,1,0,0|1,0,2]=4 425 B7R1.3 O=C1CC=CCC1 CNP0481976.0 [0,0,0,1,0,0|1,0,2]=4 426 B7R1.3 O=C1CCC=CO1 CNP0002518.0 [0,0,0,1,0,0|0,0,2]=3 427 B7R1.3 O=C1CCCC=N1 CNP0335756.0 [0,0,0,1,0,0|1,0,1]=3 428 B7R1.3 O=C1CCCCC1 CNP0271526.0 [0,0,0,1,0,0|1,0,0]=2 429 B7R1.3 O=C1CCCCN1 CNP0142808.0 [0,0,0,1,0,0|1,0,0]=2 430 B7R1.3 O=C1CCCCO1 CNP0237404.0 [0,0,0,1,0,0|0,0,0]=1 431 B7R1.3 O=C1CCNCC1 CNP0212699.0 [0,0,0,1,0,0|2,0,0]=3 432 B7R1.3 O=C1COCCN1 CNP0517075.0 [0,0,0,1,0,0|2,0,0]=3 433 B7R1.3 OC1=CCCCC1 CNP0083987.0 [0,0,0,1,0,0|1,0,1]=3 434 B7R1.3 OC1=NCCCC1 CNP0547052.0 [0,0,0,1,0,0|1,0,1]=3 435 B7R1.3 OC1CCCCC1 CNP0213861.0 [0,0,0,1,0,0|1,0,2]=4 436 B7R1.3 S=C1NCCCO1 CNP0326797.0 [0,0,0,1,0,0|1,1,0]=3 437 B7R1.4 C=C1CCOC1=O CNP0195400.0 [0,0,0,1,0,0|2,0,1]=4 438 B7R1.4 CC1=C(CCC1)C CNP0231911.0 [0,0,0,1,0,0|2,0,0]=3 439 B7R1.4 CC1=C(CCO1)S CNP0002471.0 [0,0,0,1,0,0|2,1,0]=4 440 B7R1.4 CC1=C(CCS1)S CNP0191881.0 [0,0,0,1,0,0|2,1,0]=4 441 B7R1.4 CC1=CCCC1=O CNP0196465.0 [0,0,0,1,0,0|1,0,1]=3 442 B7R1.4 CC1=CCOC1=O CNP0216253.0 [0,0,0,1,0,0|2,0,1]=4 443 B7R1.4 CC1=NCNC1=O CNP0353390.0 [0,0,0,1,0,0|3,0,0]=4 444 B7R1.4 CC1COCC1=O CNP0611227.0 [0,0,0,1,0,0|2,0,0]=3 445 B7R1.4 CC1SCCC1=O CNP0395315.0 [0,0,0,1,0,0|2,0,0]=3 446 B7R1.4 CN1CC=CC1=O CNP0611983.0 [0,0,0,1,0,0|1,0,2]=4 447 B7R1.4 CN1CCCC1=O CNP0203476.0 [0,0,0,1,0,0|1,0,0]=2 448 B7R1.4 CN1CCOC1=S CNP0208839.0 [0,0,0,1,0,0|2,1,0]=4 449 B7R1.4 C[C@@H]1CCCC1=O CNP0165073.2 [0,0,0,1,0,0|1,0,0]=2 450 B7R1.4 C[C@@H]1CCC[C@@H]1C CNP0306021.2 [0,0,0,1,0,0|2,0,1]=4 451 B7R1.4 C[C@@H]1CCC[C@H]1C CNP0306021.3 [0,0,0,1,0,0|2,0,1]=4 452 B7R1.4 C[C@@H]1CCC[C@H]1O CNP0569064.1 [0,0,0,1,0,0|1,0,2]=4 453 B7R1.4 C[C@@H]1CCOC1=O CNP0290908.1 [0,0,0,1,0,0|2,0,0]=3 454 B7R1.4 C[C@@H]1OCCC1=O CNP0116291.1 [0,0,0,1,0,0|2,0,0]=3 455 B7R1.4 C[C@H]1CCCC1=O CNP0165073.1 [0,0,0,1,0,0|1,0,0]=2 456 B7R1.4 C[C@H]1CCC[C@@H]1C CNP0306021.1 [0,0,0,1,0,0|2,0,1]=4 457 B7R1.4 C[C@H]1CCOC1=O CNP0290908.2 [0,0,0,1,0,0|2,0,0]=3 458 B7R1.4 C[C@H]1OCCC1=O CNP0116291.2 [0,0,0,1,0,0|2,0,0]=3 459 B7R1.4 N[C@@H]1CCOC1=O CNP0258027.3 [0,0,0,1,0,0|3,0,0]=4 460 B7R1.4 N[C@H]1CCOC1=O CNP0258027.2 [0,0,0,1,0,0|3,0,0]=4 461 B7R1.4 N[C@H]1CCSC1=O CNP0082695.1 [0,0,0,1,0,0|3,0,0]=4 462 B7R1.4 O=C1CCC=C1O CNP0104225.0 [0,0,0,1,0,0|2,0,1]=4 463 B7R1.4 O=C1CCCC1=O CNP0086052.0 [0,0,0,1,0,0|2,0,0]=3 464 B7R1.4 O=C1COCC1S CNP0188638.0 [0,0,0,1,0,0|3,0,0]=4 465 B7R1.4 O=C1NCC[C@H]1O CNP0289134.1 [0,0,0,1,0,0|3,0,0]=4 466 B7R1.5 CCC[C@@H]1O[C@@H]1C CNP0083069.1 [0,0,0,1,0,0|1,0,2]=4 467 B7R1.6 CCC[C@@H]1CCS1 CNP0328925.1 [0,0,0,1,0,0|1,1,1]=4 468 B7R1.8 CCC1CCC1O CNP0521190.0 [0,0,0,1,0,0|1,0,2]=4 469 B7R1.15 C[C@@H]1OC(=O)[C@@H]1N CNP0339409.1 [0,0,0,1,0,0|3,0,0]=4 470 B7R1.22 COC(=O)C1CC1 CNP0386382.0 [0,0,0,1,0,0|0,0,0]=1 471 B7R1.22 COC(=O)C1CS1 CNP0508742.0 [0,0,0,1,0,0|1,0,0]=2 472 B7R1.25 CCC1(CCC1)O CNP0591933.0 [0,0,0,1,0,0|1,0,2]=4 473 B4R0.1 C#CC(=O)O CNP0579203.0 [2,0,0,0,0,0|0,0,2]=4 474 B4R0.1 C=C(C)CC CNP0605035.0 [2,0,0,0,0,0|1,0,0]=3 475 B4R0.1 C=C(C)CO CNP0505353.0 [2,0,0,0,0,0|2,0,0]=4 476 B4R0.1 C=CC(=O)C CNP0571315.0 [2,0,0,0,0,0|0,0,2]=4 477 B4R0.1 C=CC(=O)O CNP0590547.0 [2,0,0,0,0,0|0,0,2]=4 478 B4R0.1 CC(=O)C#N CNP0551952.0 [2,0,0,0,0,0|1,0,1]=4 479 B4R0.1 CC(=O)C=O CNP0574322.0 [2,0,0,0,0,0|1,0,1]=4 480 B4R0.1 CC(=O)CBr CNP0602861.0 [2,0,0,0,0,0|1,0,0]=3 481 B4R0.1 CC(=O)CI CNP0515381.0 [2,0,0,0,0,0|1,0,0]=3 482 B4R0.1 CC(=O)CN CNP0602829.0 [2,0,0,0,0,0|1,0,0]=3 483 B4R0.1 CC(=O)CO CNP0487266.0 [2,0,0,0,0,0|1,0,0]=3 484 B4R0.1 CC(=O)CS CNP0514893.0 [2,0,0,0,0,0|1,0,0]=3 485 B4R0.1 CC(=O)N=N CNP0591627.0 [2,0,0,0,0,0|2,0,0]=4 486 B4R0.1 CC(=O)NN CNP0503904.0 [2,0,0,0,0,0|2,0,0]=4 487 B4R0.1 CC(=O)NO CNP0518042.0 [2,0,0,0,0,0|2,0,0]=4 488 B4R0.1 CC(=O)OO CNP0491052.0 [2,0,0,0,0,0|1,0,0]=3 489 B4R0.1 CC(=O)O[Hg+] CNP0504265.0 [2,0,0,0,0,0|1,0,0]=3 490 B4R0.1 CC=C(C)C CNP0502707.0 [2,0,0,0,0,0|1,0,1]=4 491 B4R0.1 CCC(=N)S CNP0544659.0 [2,0,0,0,0,0|1,1,0]=4 492 B4R0.1 CCC(=O)Br CNP0583620.0 [2,0,0,0,0,0|1,0,0]=3 493 B4R0.1 CCC(=O)C CNP0486447.0 [2,0,0,0,0,0|0,0,0]=2 494 B4R0.1 CCC(=O)Cl CNP0502198.0 [2,0,0,0,0,0|1,0,0]=3 495 B4R0.1 CCC(=O)I CNP0549008.0 [2,0,0,0,0,0|1,0,0]=3 496 B4R0.1 CCC(=O)N CNP0512752.0 [2,0,0,0,0,0|1,0,0]=3 497 B4R0.1 CCC(=O)O CNP0572679.0 [2,0,0,0,0,0|0,0,0]=2 498 B4R0.1 CCC(=O)[O-] CNP0505645.0 [2,0,0,0,0,0|0,0,1]=3 499 B4R0.1 CCC(=O)[O-] CNP0584211.0 [2,0,0,0,0,0|0,0,1]=3 500 B4R0.1 CCC(=O)[O-] CNP0604604.0 [2,0,0,0,0,0|0,0,1]=3 501 B4R0.1 CCC(C)C CNP0492867.0 [2,0,0,0,0,0|1,0,1]=4 502 B4R0.1 CCC(C)N CNP0520467.0 [2,0,0,0,0,0|1,0,1]=4 503 B4R0.1 CCC(O)O CNP0533578.0 [2,0,0,0,0,0|0,0,2]=4 504 B4R0.1 CCC(O)S CNP0612126.0 [2,0,0,0,0,0|0,1,1]=4 505 B4R0.1 CC[C@@H](C)O CNP0577352.1 [2,0,0,0,0,0|0,0,2]=4 506 B4R0.1 CC[C@@H](C)S CNP0572211.1 [2,0,0,0,0,0|0,1,1]=4 507 B4R0.1 CC[C@H](C)O CNP0577352.2 [2,0,0,0,0,0|0,0,2]=4 508 B4R0.1 CNC(=O)C CNP0491397.0 [2,0,0,0,0,0|1,0,0]=3 509 B4R0.1 CNC(=O)N CNP0576116.0 [2,0,0,0,0,0|2,0,0]=4 510 B4R0.1 CNC(=O)O CNP0594440.0 [2,0,0,0,0,0|1,0,0]=3 511 B4R0.1 COC(=O)C CNP0578880.0 [2,0,0,0,0,0|0,0,0]=2 512 B4R0.1 COC(=O)N CNP0575874.0 [2,0,0,0,0,0|1,0,0]=3 513 B4R0.1 CSC(=O)C CNP0491622.0 [2,0,0,0,0,0|0,1,0]=3 514 B4R0.1 N=CC(=O)O CNP0521453.0 [2,0,0,0,0,0|1,0,1]=4 515 B4R0.1 NC(=O)CCl CNP0572781.0 [2,0,0,0,0,0|2,0,0]=4 516 B4R0.1 NC(=O)CI CNP0573172.0 [2,0,0,0,0,0|2,0,0]=4 517 B4R0.1 NC(=O)CO CNP0610142.0 [2,0,0,0,0,0|2,0,0]=4 518 B4R0.1 NCC(=O)N CNP0542212.0 [2,0,0,0,0,0|2,0,0]=4 519 B4R0.1 NCC(=O)O CNP0563879.0 [2,0,0,0,0,0|1,0,0]=3 520 B4R0.1 NCC(=O)[O] CNP0605168.0 [2,0,0,0,0,0|1,0,1]=4 521 B4R0.1 O=C(Cl)CCl CNP0491057.0 [2,0,0,0,0,0|2,0,0]=4 522 B4R0.1 O=C(Cl)CI CNP0533753.0 [2,0,0,0,0,0|2,0,0]=4 523 B4R0.1 O=C(O)CBr CNP0605480.0 [2,0,0,0,0,0|1,0,0]=3 524 B4R0.1 O=C(O)CCl CNP0514898.0 [2,0,0,0,0,0|1,0,0]=3 525 B4R0.1 O=C(O)CI CNP0542117.0 [2,0,0,0,0,0|1,0,0]=3 526 B4R0.1 O=C(O)CO CNP0564020.0 [2,0,0,0,0,0|1,0,0]=3 527 B4R0.1 O=C(O)CS CNP0502399.0 [2,0,0,0,0,0|1,0,0]=3 528 B4R0.1 O=CC(=O)O CNP0571230.0 [2,0,0,0,0,0|1,0,1]=4 529 B4R0.2 C#CCC=O CNP0596193.0 [2,0,0,0,0,0|0,0,2]=4 530 B4R0.2 C#CCCC CNP0510243.0 [2,0,0,0,0,0|0,0,2]=4 531 B4R0.2 C=C=CCC CNP0484675.0 [2,0,0,0,0,0|1,0,1]=4 532 B4R0.2 C=CCCC CNP0529271.0 [2,0,0,0,0,0|0,0,1]=3 533 B4R0.2 C=CCCN CNP0493733.0 [2,0,0,0,0,0|1,0,1]=4 534 B4R0.2 C=CCCO CNP0599473.0 [2,0,0,0,0,0|1,0,1]=4 535 B4R0.2 C=CCSC CNP0572475.0 [2,0,0,0,0,0|1,0,1]=4 536 B4R0.2 C=CC[Se]C CNP0612039.0 [2,0,0,0,0,0|1,0,1]=4 537 B4R0.2 C=COCC CNP0567970.0 [2,0,0,0,0,0|1,0,1]=4 538 B4R0.2 C=CSCC CNP0581257.0 [2,0,0,0,0,0|1,0,1]=4 539 B4R0.2 CC#CCC CNP0516358.0 [2,0,0,0,0,0|0,0,2]=4 540 B4R0.2 CC=CC=O CNP0576575.0 [2,0,0,0,0,0|0,0,2]=4 541 B4R0.2 CC=CCC CNP0524560.0 [2,0,0,0,0,0|0,0,1]=3 542 B4R0.2 CC=CCO CNP0498228.0 [2,0,0,0,0,0|1,0,1]=4 543 B4R0.2 CC=CCS CNP0606069.0 [2,0,0,0,0,0|1,0,1]=4 544 B4R0.2 CC=CSC CNP0587371.0 [2,0,0,0,0,0|0,1,1]=4 545 B4R0.2 CCC#CO CNP0612045.0 [2,0,0,0,0,0|0,0,2]=4 546 B4R0.2 CCC=NO CNP0599998.0 [2,0,0,0,0,0|1,0,1]=4 547 B4R0.2 CCC=S=O CNP0514855.0 [2,0,0,0,0,0|1,0,1]=4 548 B4R0.2 CCCC=O CNP0518034.0 [2,0,0,0,0,0|0,0,0]=2 549 B4R0.2 CCCCC CNP0486380.0 [2,0,0,0,0,0|0,0,1]=3 550 B4R0.2 CCCCI CNP0558480.0 [2,0,0,0,0,0|1,0,1]=4 551 B4R0.2 CCCCN CNP0597509.0 [2,0,0,0,0,0|1,0,1]=4 552 B4R0.2 CCCCO CNP0505612.0 [2,0,0,0,0,0|0,0,1]=3 553 B4R0.2 CCCCS CNP0598878.0 [2,0,0,0,0,0|0,1,1]=4 554 B4R0.2 CCCNC CNP0599313.0 [2,0,0,0,0,0|1,0,0]=3 555 B4R0.2 CCCOC CNP0609062.0 [2,0,0,0,0,0|0,0,0]=2 556 B4R0.2 CCCSC CNP0481317.0 [2,0,0,0,0,0|0,1,0]=3 557 B4R0.2 CCCSO CNP0594110.0 [2,0,0,0,0,0|1,0,0]=3 558 B4R0.2 CCNCC CNP0491960.0 [2,0,0,0,0,0|1,0,1]=4 559 B4R0.2 CCOC=O CNP0525155.0 [2,0,0,0,0,0|1,0,0]=3 560 B4R0.2 CCOCC CNP0572765.0 [2,0,0,0,0,0|1,0,1]=4 561 B4R0.2 CCON=O CNP0596964.0 [2,0,0,0,0,0|2,0,0]=4 562 B4R0.2 CCSCC CNP0518873.0 [2,0,0,0,0,0|1,0,1]=4 563 B4R0.2 CCSSC CNP0571147.0 [2,0,0,0,0,0|1,1,0]=4 564 B4R0.2 CNCCN CNP0496542.0 [2,0,0,0,0,0|2,0,0]=4 565 B4R0.2 CNCCO CNP0513801.0 [2,0,0,0,0,0|1,0,1]=4 566 B4R0.2 COCCI CNP0495552.0 [2,0,0,0,0,0|1,0,0]=3 567 B4R0.2 COCCO CNP0561250.0 [2,0,0,0,0,0|1,0,0]=3 568 B4R0.2 COCC[Si] CNP0501162.0 [2,0,0,0,0,0|0,1,0]=3 569 B4R0.2 CSCC=O CNP0555203.0 [2,0,0,0,0,0|1,0,0]=3 570 B4R0.2 CSCCO CNP0574269.0 [2,0,0,0,0,0|1,0,1]=4 571 B4R0.2 CSCSC CNP0591427.0 [2,0,0,0,0,0|1,1,0]=4 572 B4R0.2 NCCC=O CNP0502520.0 [2,0,0,0,0,0|1,0,0]=3 573 B4R0.2 NCCCO CNP0538228.0 [2,0,0,0,0,0|1,0,1]=4 574 B4R0.2 O=CCC=O CNP0495847.0 [2,0,0,0,0,0|1,0,1]=4 575 B4R0.2 O=CCCO CNP0525339.0 [2,0,0,0,0,0|1,0,0]=3 576 B4R0.2 OCCCBr CNP0506989.0 [2,0,0,0,0,0|1,0,1]=4 577 B4R0.2 OCCCO CNP0503416.0 [2,0,0,0,0,0|1,0,1]=4 578 B4R0.2 OCCCS CNP0586497.0 [2,0,0,0,0,0|1,0,1]=4 579 B4R0.2 [C-]#[N+]CCC CNP0525086.0 [2,0,0,0,0,0|1,0,1]=4 580 B6R0.2 C=C(C)CC(=O)C CNP0331918.0 [1,1,0,0,0,0|0,0,1]=3 581 B6R0.2 C=C(N)CC(=O)O CNP0312147.0 [1,1,0,0,0,0|0,0,2]=4 582 B6R0.2 C=C(O)CC(=O)O CNP0082070.0 [1,1,0,0,0,0|0,0,2]=4 583 B6R0.2 CC(=CC(=O)O)C CNP0191929.0 [1,1,0,0,0,0|0,0,2]=4 584 B6R0.2 CC(=CC(=O)O)O CNP0487751.0 [1,1,0,0,0,0|0,0,2]=4 585 B6R0.2 CC(=CC(C)C)C CNP0084966.0 [1,1,0,0,0,0|1,0,1]=4 586 B6R0.2 CC(=C[13C](=O)C)C CNP0541964.0 [1,1,0,0,0,0|0,0,2]=4 587 B6R0.2 CC(=N)CC(=O)C CNP0178786.0 [1,1,0,0,0,0|0,0,1]=3 588 B6R0.2 CC(=O)C=C(C)C CNP0258331.0 [1,1,0,0,0,0|0,0,2]=4 589 B6R0.2 CC(=O)C=C(C)O CNP0344390.0 [1,1,0,0,0,0|0,0,2]=4 590 B6R0.2 CC(=O)CC(=O)C CNP0267628.0 [1,1,0,0,0,0|0,0,1]=3 591 B6R0.2 CC(=O)CC(=O)N CNP0237689.0 [1,1,0,0,0,0|1,0,1]=4 592 B6R0.2 CC(=O)CC(=O)O CNP0286292.0 [1,1,0,0,0,0|0,0,1]=3 593 B6R0.2 CC(=O)CC(C)C CNP0178924.0 [1,1,0,0,0,0|0,0,0]=2 594 B6R0.2 CC(=O)C[C@@H](C)O CNP0209002.1 [1,1,0,0,0,0|0,0,0]=2 595 B6R0.2 CC(=O)C[C@H](C)O CNP0209002.2 [1,1,0,0,0,0|0,0,0]=2 596 B6R0.2 CC(=O)NC(=O)C CNP0582746.0 [1,1,0,0,0,0|1,0,1]=4 597 B6R0.2 CC(=O)OC(=O)C CNP0296904.0 [1,1,0,0,0,0|1,0,1]=4 598 B6R0.2 CC(=O)OC(C)C CNP0234567.0 [1,1,0,0,0,0|1,0,0]=3 599 B6R0.2 CC(=O)SC(=O)C CNP0165468.0 [1,1,0,0,0,0|1,0,1]=4 600 B6R0.2 CC(=S)OC(C)C CNP0539735.0 [1,1,0,0,0,0|1,1,0]=4 601 B6R0.2 CC(C)CC(=O)N CNP0512695.0 [1,1,0,0,0,0|1,0,0]=3 602 B6R0.2 CC(C)CC(C)C CNP0241759.0 [1,1,0,0,0,0|1,0,1]=4 603 B6R0.2 CC(C)CC(C)O CNP0493734.0 [1,1,0,0,0,0|0,0,2]=4 604 B6R0.2 CC(C)C[C@@H](C)N CNP0556567.1 [1,1,0,0,0,0|1,0,1]=4 605 B6R0.2 CC(C)C[S@@+](C)[O-] CNP0553779.1 [1,1,0,0,0,0|1,0,1]=4 606 B6R0.2 CC(C)C[S@@H+](C)[O-] CNP0593384.1 [1,1,0,0,0,0|1,0,1]=4 607 B6R0.2 CC(C)NC(=O)N CNP0331187.0 [1,1,0,0,0,0|2,0,0]=4 608 B6R0.2 CC(O)CC(=O)N CNP0217857.0 [1,1,0,0,0,0|1,0,0]=3 609 B6R0.2 CN(C)CC(=O)Cl CNP0017846.0 [1,1,0,0,0,0|2,0,0]=4 610 B6R0.2 CN(C)CC(=O)N CNP0045146.0 [1,1,0,0,0,0|2,0,0]=4 611 B6R0.2 CN(C)CC(=O)O CNP0175140.0 [1,1,0,0,0,0|1,0,0]=3 612 B6R0.2 C[C@@H](N)CC(=O)O CNP0287180.2 [1,1,0,0,0,0|0,0,0]=2 613 B6R0.2 C[C@@H](O)CC(=O)O CNP0161860.1 [1,1,0,0,0,0|0,0,0]=2 614 B6R0.2 C[C@@H](O)C[C@@H](C)O CNP0138640.1 [1,1,0,0,0,0|0,0,2]=4 615 B6R0.2 C[C@H](N)CC(=O)O CNP0287180.1 [1,1,0,0,0,0|0,0,0]=2 616 B6R0.2 C[C@H](O)CC(=O)O CNP0161860.2 [1,1,0,0,0,0|0,0,0]=2 617 B6R0.2 C[C@H]([13CH3])CC(=O)O CNP0175489.1 [1,1,0,0,0,0|0,0,0]=2 618 B6R0.2 C[C](C)CC(=O)O CNP0606523.0 [1,1,0,0,0,0|0,0,1]=3 619 B6R0.2 C[S+](C)CC(=O)O CNP0149325.0 [1,1,0,0,0,0|1,0,0]=3 620 B6R0.2 C[S+](C)CC(=O)[O-] CNP0153505.0 [1,1,0,0,0,0|1,0,1]=4 621 B6R0.2 NC(=O)CC(=O)O CNP0514577.0 [1,1,0,0,0,0|1,0,1]=4 622 B6R0.2 O=C(O)CC(=O)O CNP0327247.0 [1,1,0,0,0,0|1,0,1]=4 623 B6R0.3 C#C[C@H](N)C(=O)O CNP0348654.1 [1,1,0,0,0,0|0,0,2]=4 624 B6R0.3 C=C(C)[C@H](C)CC CNP0076705.1 [1,1,0,0,0,0|1,0,0]=3 625 B6R0.3 C=C(CC)C(=O)O CNP0082368.0 [1,1,0,0,0,0|0,0,1]=3 626 B6R0.3 C=C(CN)C(=O)O CNP0223341.0 [1,1,0,0,0,0|1,0,1]=4 627 B6R0.3 C=C(NC)C(=O)O CNP0542368.0 [1,1,0,0,0,0|1,0,1]=4 628 B6R0.3 C=C[C@@H](N)C(=O)O CNP0240520.1 [1,1,0,0,0,0|0,0,2]=4 629 B6R0.3 C=C[C@H](N)C(=O)O CNP0240520.2 [1,1,0,0,0,0|0,0,2]=4 630 B6R0.3 CC(=O)C(C)C#N CNP0503071.0 [1,1,0,0,0,0|1,0,1]=4 631 B6R0.3 CC=C(C)C(=O)C CNP0119709.0 [1,1,0,0,0,0|0,0,2]=4 632 B6R0.3 CC=C(C)C(=O)O CNP0238363.0 [1,1,0,0,0,0|0,0,2]=4 633 B6R0.3 CC=C(N)C(=O)O CNP0146934.0 [1,1,0,0,0,0|0,0,2]=4 634 B6R0.3 CCC(=C(C)C)C CNP0076862.0 [1,1,0,0,0,0|1,0,1]=4 635 B6R0.3 CCC(=O)C(=O)C CNP0311036.0 [1,1,0,0,0,0|0,0,1]=3 636 B6R0.3 CCC(=O)C(=O)O CNP0283357.0 [1,1,0,0,0,0|0,0,1]=3 637 B6R0.3 CCC(O)C(=O)C CNP0413470.0 [1,1,0,0,0,0|0,0,0]=2 638 B6R0.3 CCC(O)C(C)C CNP0265736.0 [1,1,0,0,0,0|1,0,1]=4 639 B6R0.3 CCC(O)C(C)O CNP0519497.0 [1,1,0,0,0,0|0,0,2]=4 640 B6R0.3 CCC(S)C(=O)C CNP0064467.0 [1,1,0,0,0,0|0,0,0]=2 641 B6R0.3 CCC(S)C(C)C CNP0611989.0 [1,1,0,0,0,0|1,0,1]=4 642 B6R0.3 CC[C@@H](C)C(=O)C CNP0151175.1 [1,1,0,0,0,0|0,0,0]=2 643 B6R0.3 CC[C@@H](C)C(=O)Cl CNP0146254.2 [1,1,0,0,0,0|1,0,0]=3 644 B6R0.3 CC[C@@H](C)C(=O)N CNP0157695.1 [1,1,0,0,0,0|1,0,0]=3 645 B6R0.3 CC[C@@H](C)C(=O)O CNP0187792.1 [1,1,0,0,0,0|0,0,0]=2 646 B6R0.3 CC[C@@H](C)C(O)O CNP0597016.1 [1,1,0,0,0,0|0,0,2]=4 647 B6R0.3 CC[C@@H](C)[C@@H](C)O CNP0061619.1 [1,1,0,0,0,0|0,0,2]=4 648 B6R0.3 CC[C@@H](N)C(=O)O CNP0243222.1 [1,1,0,0,0,0|0,0,0]=2 649 B6R0.3 CC[C@@H](O)C(=O)C CNP0413470.1 [1,1,0,0,0,0|0,0,0]=2 650 B6R0.3 CC[C@@H](O)C(=O)O CNP0162708.1 [1,1,0,0,0,0|0,0,0]=2 651 B6R0.3 CC[C@H](C)C(=O)C CNP0151175.2 [1,1,0,0,0,0|0,0,0]=2 652 B6R0.3 CC[C@H](C)C(=O)Cl CNP0146254.1 [1,1,0,0,0,0|1,0,0]=3 653 B6R0.3 CC[C@H](C)C(=O)N CNP0157695.2 [1,1,0,0,0,0|1,0,0]=3 654 B6R0.3 CC[C@H](C)C(=O)O CNP0187792.2 [1,1,0,0,0,0|0,0,0]=2 655 B6R0.3 CC[C@H](C)C(C)C CNP0304167.1 [1,1,0,0,0,0|1,0,1]=4 656 B6R0.3 CC[C@H](C)[C@@H](C)O CNP0061619.2 [1,1,0,0,0,0|0,0,2]=4 657 B6R0.3 CC[C@H](N)C(=O)O CNP0243222.3 [1,1,0,0,0,0|0,0,0]=2 658 B6R0.3 CC[C@H](O)C(=O)O CNP0162708.2 [1,1,0,0,0,0|0,0,0]=2 659 B6R0.3 CNC(=O)C(=O)O CNP0336017.0 [1,1,0,0,0,0|1,0,1]=4 660 B6R0.3 CN[C@@H](C)C(=O)O CNP0126063.1 [1,1,0,0,0,0|1,0,0]=3 661 B6R0.3 CN[C@H](C)C(=O)O CNP0126063.2 [1,1,0,0,0,0|1,0,0]=3 662 B6R0.3 COC(=O)C(=O)C CNP0301085.0 [1,1,0,0,0,0|1,0,1]=4 663 B6R0.3 COC(=O)C(=O)O CNP0117987.0 [1,1,0,0,0,0|1,0,1]=4 664 B6R0.3 CO[C@@H](C)C(=O)C CNP0325332.1 [1,1,0,0,0,0|1,0,0]=3 665 B6R0.3 CSC(C)C(=O)C CNP0075921.0 [1,1,0,0,0,0|1,0,0]=3 666 B6R0.3 C[C@@H](C=O)C(=O)O CNP0083546.1 [1,1,0,0,0,0|1,0,1]=4 667 B6R0.3 C[C@@H](CN)C(=O)O CNP0291505.1 [1,1,0,0,0,0|1,0,0]=3 668 B6R0.3 C[C@@H](CO)C(=O)O CNP0257203.1 [1,1,0,0,0,0|1,0,0]=3 669 B6R0.3 C[C@H](CN)C(=O)O CNP0291505.2 [1,1,0,0,0,0|1,0,0]=3 670 B6R0.3 C[C@H](CO)C(=O)O CNP0257203.2 [1,1,0,0,0,0|1,0,0]=3 671 B6R0.3 C[C@H](NO)C(=O)O CNP0221656.1 [1,1,0,0,0,0|2,0,0]=4 672 B6R0.3 NC(=O)[C@@H](N)CS CNP0562682.1 [1,1,0,0,0,0|2,0,0]=4 673 B6R0.3 NC(=O)[C@@H](O)CO CNP0263493.1 [1,1,0,0,0,0|2,0,0]=4 674 B6R0.3 NC[C@@H](N)C(=O)O CNP0403048.1 [1,1,0,0,0,0|1,0,0]=3 675 B6R0.3 NC[C@@H](O)C(=O)O CNP0213687.1 [1,1,0,0,0,0|1,0,0]=3 676 B6R0.3 NC[C@H](N)C(=O)O CNP0403048.2 [1,1,0,0,0,0|1,0,0]=3 677 B6R0.3 N[C@@H](C=O)C(=O)O CNP0082836.1 [1,1,0,0,0,0|1,0,1]=4 678 B6R0.3 N[C@@H](CO)C(=O)O CNP0275512.1 [1,1,0,0,0,0|1,0,0]=3 679 B6R0.3 N[C@@H](CS)C(=O)O CNP0280490.1 [1,1,0,0,0,0|1,0,0]=3 680 B6R0.3 N[C@@H](CS)C(=O)O CNP0543246.1 [1,1,0,0,0,0|1,0,0]=3 681 B6R0.3 N[C@@H](C[SeH])C(=O)O CNP0105616.1 [1,1,0,0,0,0|1,0,0]=3 682 B6R0.3 N[C@@H](C[Se])C(=O)O CNP0539066.1 [1,1,0,0,0,0|1,0,0]=3 683 B6R0.3 N[C@H](CCl)C(=O)O CNP0597943.1 [1,1,0,0,0,0|1,0,0]=3 684 B6R0.3 N[C@H](CO)C(=O)O CNP0275512.2 [1,1,0,0,0,0|1,0,0]=3 685 B6R0.3 N[C@H](CS)C(=O)O CNP0280490.2 [1,1,0,0,0,0|1,0,0]=3 686 B6R0.3 N[C@H](C[SeH])C(=O)O CNP0105616.2 [1,1,0,0,0,0|1,0,0]=3 687 B6R0.3 O=C(O)C(=O)CO CNP0343498.0 [1,1,0,0,0,0|1,0,1]=4 688 B6R0.3 O=C(O)C(=O)CS CNP0172399.0 [1,1,0,0,0,0|1,0,1]=4 689 B6R0.3 O=C(O)[C@@H](O)CCl CNP0460792.2 [1,1,0,0,0,0|1,0,0]=3 690 B6R0.3 O=C(O)[C@@H](O)CO CNP0264905.2 [1,1,0,0,0,0|1,0,0]=3 691 B6R0.3 O=C(O)[C@@H](O)CS CNP0083519.1 [1,1,0,0,0,0|1,0,0]=3 692 B6R0.3 O=C(O)[C@H](O)CCl CNP0460792.1 [1,1,0,0,0,0|1,0,0]=3 693 B6R0.3 O=C(O)[C@H](O)CO CNP0264905.1 [1,1,0,0,0,0|1,0,0]=3 694 B6R0.3 O=CC(O)C(=O)O CNP0083603.0 [1,1,0,0,0,0|1,0,1]=4 695 B6R0.3 [C-]#[N+][C@@H](C)C(=O)O CNP0523631.1 [1,1,0,0,0,0|1,0,1]=4 696 B6R0.4 C#CNCC(=O)O CNP0073758.0 [1,1,0,0,0,0|0,0,2]=4 697 B6R0.4 C=C(C)CCSC CNP0330891.0 [1,1,0,0,0,0|1,0,0]=3 698 B6R0.4 C=CCCC(=O)C CNP0610109.0 [1,1,0,0,0,0|0,0,1]=3 699 B6R0.4 C=CCCC(=O)N CNP0118917.0 [1,1,0,0,0,0|1,0,1]=4 700 B6R0.4 C=CCCC(=O)O CNP0003359.0 [1,1,0,0,0,0|0,0,1]=3 701 B6R0.4 C=CCOC(=O)C CNP0175648.0 [1,1,0,0,0,0|0,0,2]=4 702 B6R0.4 C=CCSC(=O)C CNP0301401.0 [1,1,0,0,0,0|0,0,2]=4 703 B6R0.4 CC(=CCCN)C CNP0568876.0 [1,1,0,0,0,0|1,0,1]=4 704 B6R0.4 CC(=CCCO)C CNP0410779.0 [1,1,0,0,0,0|1,0,1]=4 705 B6R0.4 CC(=O)CCC=O CNP0261239.0 [1,1,0,0,0,0|0,0,1]=3 706 B6R0.4 CC(=O)NCCN CNP0182526.0 [1,1,0,0,0,0|1,0,0]=3 707 B6R0.4 CC(=O)NCCO CNP0304709.0 [1,1,0,0,0,0|1,0,0]=3 708 B6R0.4 CC(=O)NCCS CNP0516453.0 [1,1,0,0,0,0|1,0,0]=3 709 B6R0.4 CC(=O)OCCI CNP0274212.0 [1,1,0,0,0,0|1,0,0]=3 710 B6R0.4 CC(=O)OCCN CNP0165405.0 [1,1,0,0,0,0|1,0,0]=3 711 B6R0.4 CC(=O)OCCO CNP0589275.0 [1,1,0,0,0,0|1,0,0]=3 712 B6R0.4 CC(C)CCCO CNP0344466.0 [1,1,0,0,0,0|1,0,1]=4 713 B6R0.4 CC=CCC(=O)O CNP0610144.0 [1,1,0,0,0,0|0,0,1]=3 714 B6R0.4 CCC=CC(=O)C CNP0129352.0 [1,1,0,0,0,0|0,0,1]=3 715 B6R0.4 CCC=CC(=O)O CNP0185292.0 [1,1,0,0,0,0|0,0,1]=3 716 B6R0.4 CCCC=C(C)O CNP0268446.0 [1,1,0,0,0,0|0,0,1]=3 717 B6R0.4 CCCCB(O)O CNP0482760.0 [1,1,0,0,0,0|1,0,1]=4 718 B6R0.4 CCCCC(=O)C CNP0194685.0 [1,1,0,0,0,0|0,0,0]=2 719 B6R0.4 CCCCC(=O)N CNP0248834.0 [1,1,0,0,0,0|1,0,0]=3 720 B6R0.4 CCCCC(=O)O CNP0144818.0 [1,1,0,0,0,0|0,0,0]=2 721 B6R0.4 CCCCC(C)C CNP0312749.0 [1,1,0,0,0,0|1,0,1]=4 722 B6R0.4 CCCC[11C](=O)O CNP0540258.0 [1,1,0,0,0,0|0,0,0]=2 723 B6R0.4 CCCC[C@@H](C)O CNP0276755.1 [1,1,0,0,0,0|0,0,2]=4 724 B6R0.4 CCCC[C@H](C)O CNP0276755.2 [1,1,0,0,0,0|0,0,2]=4 725 B6R0.4 CCCNC(=O)C CNP0115400.0 [1,1,0,0,0,0|0,0,0]=2 726 B6R0.4 CCCOC(=O)C CNP0274142.0 [1,1,0,0,0,0|0,0,0]=2 727 B6R0.4 CCCSC(=O)C CNP0076500.0 [1,1,0,0,0,0|0,0,0]=2 728 B6R0.4 CCCSC(C)C CNP0228244.0 [1,1,0,0,0,0|1,0,1]=4 729 B6R0.4 CCCSC(C)S CNP0609747.0 [1,1,0,0,0,0|0,1,1]=4 730 B6R0.4 CCCS[S+](C)[O-] CNP0597218.0 [1,1,0,0,0,0|1,0,1]=4 731 B6R0.4 CCNCC(=O)O CNP0076362.0 [1,1,0,0,0,0|0,0,0]=2 732 B6R0.4 CCNCC(C)C CNP0165310.0 [1,1,0,0,0,0|1,0,1]=4 733 B6R0.4 CCOCC(=O)N CNP0329352.0 [1,1,0,0,0,0|1,0,0]=3 734 B6R0.4 CCOCC(=O)O CNP0229583.0 [1,1,0,0,0,0|0,0,0]=2 735 B6R0.4 CCOC[C@@H](C)O CNP0076159.1 [1,1,0,0,0,0|0,0,2]=4 736 B6R0.4 CCSCC(C)C CNP0208462.0 [1,1,0,0,0,0|1,0,1]=4 737 B6R0.4 CNCCC(=O)O CNP0502963.0 [1,1,0,0,0,0|0,0,0]=2 738 B6R0.4 CNCCC(C)C CNP0254439.0 [1,1,0,0,0,0|1,0,1]=4 739 B6R0.4 COCC=C(C)C CNP0493784.0 [1,1,0,0,0,0|1,0,1]=4 740 B6R0.4 COCCC(C)C CNP0316382.0 [1,1,0,0,0,0|1,0,1]=4 741 B6R0.4 COCCN(C)C CNP0429553.0 [1,1,0,0,0,0|2,0,0]=4 742 B6R0.4 CSC=CC(=O)O CNP0140653.0 [1,1,0,0,0,0|0,0,2]=4 743 B6R0.4 CSCCC(=O)C CNP0353152.0 [1,1,0,0,0,0|0,0,0]=2 744 B6R0.4 CSCCC(=O)N CNP0220146.0 [1,1,0,0,0,0|1,0,0]=3 745 B6R0.4 CSCCC(=O)O CNP0143779.0 [1,1,0,0,0,0|0,0,0]=2 746 B6R0.4 CSCC[C@@H](C)O CNP0206291.1 [1,1,0,0,0,0|0,0,2]=4 747 B6R0.4 CSCSC(=O)C CNP0232862.0 [1,1,0,0,0,0|1,0,0]=3 748 B6R0.4 C[N+]CCC(=O)[O-] CNP0588104.0 [1,1,0,0,0,0|0,0,1]=3 749 B6R0.4 C[S@+]([O-])CCCN CNP0591601.1 [1,1,0,0,0,0|1,0,1]=4 750 B6R0.4 C[S@H+]([O-])CCCN CNP0545944.1 [1,1,0,0,0,0|1,0,1]=4 751 B6R0.4 N=CNCC(=O)O CNP0218776.0 [1,1,0,0,0,0|1,0,1]=4 752 B6R0.4 NC(=O)CCCO CNP0573523.0 [1,1,0,0,0,0|1,0,0]=3 753 B6R0.4 NCC=CC(=O)O CNP0250683.0 [1,1,0,0,0,0|0,0,2]=4 754 B6R0.4 NCCCC(=O)O CNP0116256.0 [1,1,0,0,0,0|0,0,0]=2 755 B6R0.4 O=C(O)C=CCO CNP0097506.0 [1,1,0,0,0,0|0,0,2]=4 756 B6R0.4 O=C(O)CCCO CNP0236331.0 [1,1,0,0,0,0|0,0,0]=2 757 B6R0.4 O=C([O-])CCCO CNP0492590.0 [1,1,0,0,0,0|0,0,1]=3 758 B6R0.4 O=CCCC(=O)O CNP0318740.0 [1,1,0,0,0,0|0,0,1]=3 759 B6R0.4 O=CNCC(=O)O CNP0082901.0 [1,1,0,0,0,0|1,0,1]=4 760 B6R0.4 O=[N+]([O-])CCCO CNP0184942.0 [1,1,0,0,0,0|1,0,1]=4 761 B6R0.5 CCCC(C)(C)C CNP0308764.0 [1,1,0,0,0,0|1,0,1]=4 762 B6R0.5 CCCC(C)(C)O CNP0258393.0 [1,1,0,0,0,0|0,0,2]=4 763 B6R0.5 CCCC(O)(O)O CNP0084720.0 [1,1,0,0,0,0|0,0,2]=4 764 B6R0.5 CCC[N+](C)(C)C CNP0523784.0 [1,1,0,0,0,0|2,0,0]=4 765 B6R0.5 CCOP(=O)(O)O CNP0147648.0 [1,1,0,0,0,0|2,0,0]=4 766 B6R0.5 CCOS(=O)(=O)C CNP0401842.0 [1,1,0,0,0,0|2,0,0]=4 767 B6R0.5 CCOS(=O)(=O)O CNP0264305.0 [1,1,0,0,0,0|2,0,0]=4 768 B6R0.5 CSCS(=O)(=O)C CNP0157265.0 [1,1,0,0,0,0|2,0,0]=4 769 B6R0.5 C[As](=O)(C)CCO CNP0236295.0 [1,1,0,0,0,0|2,0,0]=4 770 B6R0.5 C[S+](=O)(C)CCO CNP0428132.0 [1,1,0,0,0,0|2,0,0]=4 771 B6R0.5 NCCP(=O)(O)O CNP0284279.0 [1,1,0,0,0,0|2,0,0]=4 772 B6R0.5 NCCS(=O)(=O)O CNP0178735.0 [1,1,0,0,0,0|2,0,0]=4 773 B6R0.5 NCC[S@](=O)(=S)O CNP0018006.1 [1,1,0,0,0,0|2,0,0]=4 774 B6R0.5 O=P(O)(O)CCBr CNP0439057.0 [1,1,0,0,0,0|2,0,0]=4 775 B6R0.5 O=P(O)(O)CCCl CNP0610068.0 [1,1,0,0,0,0|2,0,0]=4 776 B6R0.5 O=P(O)(O)CCO CNP0207938.0 [1,1,0,0,0,0|2,0,0]=4 777 B6R0.5 O=S(=O)(O)CCO CNP0267265.0 [1,1,0,0,0,0|2,0,0]=4 778 B6R0.5 O=S(=O)(O)CCS CNP0132548.0 [1,1,0,0,0,0|2,0,0]=4 779 B6R0.6 C=CC=CCCC CNP0526826.0 [1,1,0,0,0,0|1,0,1]=4 780 B6R0.6 C=CCCC=CC CNP0426808.0 [1,1,0,0,0,0|1,0,1]=4 781 B6R0.6 C=COCCCC CNP0077236.0 [1,1,0,0,0,0|0,0,2]=4 782 B6R0.6 CC#CCCCO CNP0320046.0 [1,1,0,0,0,0|1,0,1]=4 783 B6R0.6 CC=CC=CCC CNP0608489.0 [1,1,0,0,0,0|1,0,1]=4 784 B6R0.6 CC=CCCC=O CNP0056069.0 [1,1,0,0,0,0|1,0,1]=4 785 B6R0.6 CC=CCCCC CNP0158475.0 [1,1,0,0,0,0|1,0,0]=3 786 B6R0.6 CC=CCCCO CNP0309139.0 [1,1,0,0,0,0|1,0,0]=3 787 B6R0.6 CC=CCSCC CNP0575773.0 [1,1,0,0,0,0|1,0,0]=3 788 B6R0.6 CC=CSCCC CNP0320861.0 [1,1,0,0,0,0|1,0,0]=3 789 B6R0.6 CC=CSSCC CNP0418756.0 [1,1,0,0,0,0|2,0,0]=4 790 B6R0.6 CCC=C=CCC CNP0518397.0 [1,1,0,0,0,0|1,0,1]=4 791 B6R0.6 CCC=CCCC CNP0391454.0 [1,1,0,0,0,0|1,0,0]=3 792 B6R0.6 CCC=CCCO CNP0255718.0 [1,1,0,0,0,0|1,0,1]=4 793 B6R0.6 CCCC#CCO CNP0314465.0 [1,1,0,0,0,0|1,0,1]=4 794 B6R0.6 CCCC=CC=O CNP0263913.0 [1,1,0,0,0,0|1,0,1]=4 795 B6R0.6 CCCC=CCO CNP0254124.0 [1,1,0,0,0,0|1,0,0]=3 796 B6R0.6 CCCC=CNO CNP0162409.0 [1,1,0,0,0,0|2,0,0]=4 797 B6R0.6 CCCCC=CO CNP0511187.0 [1,1,0,0,0,0|2,0,0]=4 798 B6R0.6 CCCCC=NO CNP0149695.0 [1,1,0,0,0,0|2,0,0]=4 799 B6R0.6 CCCCCCC CNP0290800.0 [1,1,0,0,0,0|1,0,1]=4 800 B6R0.6 CCCCCCN CNP0213933.0 [1,1,0,0,0,0|1,0,1]=4 801 B6R0.6 CCCCCCO CNP0317600.0 [1,1,0,0,0,0|1,0,1]=4 802 B6R0.6 CCCCCCS CNP0167948.0 [1,1,0,0,0,0|1,0,1]=4 803 B6R0.6 CCCCCC[O-] CNP0579903.0 [1,1,0,0,0,0|1,0,1]=4 804 B6R0.6 CCCCCNC CNP0276164.0 [1,1,0,0,0,0|1,0,1]=4 805 B6R0.6 CCCCCOC CNP0358174.0 [1,1,0,0,0,0|0,0,1]=3 806 B6R0.6 CCCCCSC CNP0293012.0 [1,1,0,0,0,0|0,1,1]=4 807 B6R0.6 CCCCOC=O CNP0282325.0 [1,1,0,0,0,0|0,0,2]=4 808 B6R0.6 CCCCON=O CNP0003508.0 [1,1,0,0,0,0|1,0,1]=4 809 B6R0.6 CCCCSSC CNP0532819.0 [1,1,0,0,0,0|0,1,1]=4 810 B6R0.6 CCCNCCC CNP0129820.0 [1,1,0,0,0,0|1,0,1]=4 811 B6R0.6 CCCOCCO CNP0079853.0 [1,1,0,0,0,0|2,0,0]=4 812 B6R0.6 CCCSCCC CNP0173387.0 [1,1,0,0,0,0|1,0,1]=4 813 B6R0.6 CCCSSCC CNP0322971.0 [1,1,0,0,0,0|1,1,0]=4 814 B6R0.6 CCCSSSC CNP0104471.0 [1,1,0,0,0,0|1,1,0]=4 815 B6R0.6 CCOCCCO CNP0304052.0 [1,1,0,0,0,0|1,0,1]=4 816 B6R0.6 CCOCCCS CNP0267296.0 [1,1,0,0,0,0|1,0,1]=4 817 B6R0.6 CCSCCCO CNP0355297.0 [1,1,0,0,0,0|2,0,0]=4 818 B6R0.6 CNCCCCN CNP0157274.0 [1,1,0,0,0,0|1,0,1]=4 819 B6R0.6 COCCCCO CNP0570905.0 [1,1,0,0,0,0|0,0,1]=3 820 B6R0.6 CSCCCCO CNP0002400.0 [1,1,0,0,0,0|0,1,1]=4 821 B6R0.8 COP(=O)(N)SC CNP0341467.0 [1,1,0,0,0,0|2,0,0]=4 822 B6R0.9 C=C[C@@H](CC)OC CNP0276971.1 [1,1,0,0,0,0|1,0,1]=4 823 B6R0.9 CC=C(C=O)CC CNP0086295.0 [1,1,0,0,0,0|1,0,0]=3 824 B6R0.9 CC=C(CC)CC CNP0246886.0 [1,1,0,0,0,0|2,0,0]=4 825 B6R0.9 CC=C(CC)CO CNP0059417.0 [1,1,0,0,0,0|1,0,1]=4 826 B6R0.9 CCC(C=O)CC CNP0353251.0 [1,1,0,0,0,0|1,0,1]=4 827 B6R0.9 CCC(OC)OC CNP0171881.0 [1,1,0,0,0,0|0,0,2]=4 828 B6R0.9 CCN(CC)N=O CNP0419123.0 [1,1,0,0,0,0|2,0,0]=4 829 B8R0.2 C=C(C(=O)OC)[C@H](C)O CNP0274042.1 [0,2,0,0,0,0|0,0,1]=3 830 B8R0.2 CC(=O)C(=O)[C@@H](O)CO CNP0082869.1 [0,2,0,0,0,0|2,0,0]=4 831 B8R0.2 CC(C)[C@@H](N)C(=O)NO CNP0510615.1 [0,2,0,0,0,0|2,0,0]=4 832 B8R0.2 CCC(=O)[C@@H](C)C(=O)C CNP0050073.1 [0,2,0,0,0,0|1,0,1]=4 833 B8R0.2 CCC(C)C(=O)C(C)C CNP0480087.0 [0,2,0,0,0,0|1,0,0]=3 834 B8R0.2 CC[C@@H](C)C(=O)C(=O)O CNP0163555.2 [0,2,0,0,0,0|2,0,0]=4 835 B8R0.2 CC[C@H](C)C(=O)C(=O)O CNP0163555.1 [0,2,0,0,0,0|2,0,0]=4 836 B8R0.2 COC(=O)C(=O)C(C)C CNP0337448.0 [0,2,0,0,0,0|0,0,1]=3 837 B8R0.2 COC(=O)C(C)C(C)C CNP0354391.0 [0,2,0,0,0,0|0,0,0]=2 838 B8R0.2 COC(=O)C(O)C(C)C CNP0612001.0 [0,2,0,0,0,0|0,0,0]=2 839 B8R0.2 COC(=O)N(O)C(=O)C CNP0298264.0 [0,2,0,0,0,0|1,0,1]=4 840 B8R0.2 COC(=O)[C@@H](C)[C@H](C)O CNP0193149.3 [0,2,0,0,0,0|0,0,0]=2 841 B8R0.2 COC(=O)[C@@H](N)C(C)C CNP0369647.2 [0,2,0,0,0,0|0,0,0]=2 842 B8R0.2 COC(=O)[C@@H](N)[C@@H](C)O CNP0109671.2 [0,2,0,0,0,0|0,0,0]=2 843 B8R0.2 COC(=O)[C@@H](N)[C@H](C)O CNP0109671.1 [0,2,0,0,0,0|0,0,0]=2 844 B8R0.2 COC(=O)[C@H](C)[C@@H](C)O CNP0193149.2 [0,2,0,0,0,0|0,0,0]=2 845 B8R0.2 COC(=O)[C@H](C)[C@H](C)O CNP0193149.1 [0,2,0,0,0,0|0,0,0]=2 846 B8R0.5 CCCC(=CC(=O)C)C CNP0608479.0 [0,2,0,0,0,0|2,0,0]=4 847 B8R0.5 CCCC(=O)C=C(C)C CNP0207293.0 [0,2,0,0,0,0|1,0,0]=3 848 B8R0.5 CCCC(=O)CC(=O)C CNP0351307.0 [0,2,0,0,0,0|1,0,0]=3 849 B8R0.5 CCCC(=O)CC(=O)O CNP0037462.0 [0,2,0,0,0,0|1,0,1]=4 850 B8R0.5 CCCC(=O)CC(C)C CNP0504556.0 [0,2,0,0,0,0|1,0,0]=3 851 B8R0.5 CCCC(=O)OC(C)C CNP0194975.0 [0,2,0,0,0,0|0,0,0]=2 852 B8R0.5 CCC[C@H](C)OC(=O)C CNP0140745.1 [0,2,0,0,0,0|1,0,1]=4 853 B8R0.5 CCOC(=O)C=C(C)C CNP0502082.0 [0,2,0,0,0,0|0,0,2]=4 854 B8R0.5 CCOC(=O)CC(=O)C CNP0003525.0 [0,2,0,0,0,0|0,0,1]=3 855 B8R0.5 CCOC(=O)CC(=O)N CNP0369111.0 [0,2,0,0,0,0|1,0,1]=4 856 B8R0.5 CCOC(=O)CC(=O)O CNP0380624.0 [0,2,0,0,0,0|1,0,1]=4 857 B8R0.5 CCOC(=O)CC(C)C CNP0224486.0 [0,2,0,0,0,0|0,0,0]=2 858 B8R0.5 CCOC(=O)CC(C)S CNP0121387.0 [0,2,0,0,0,0|0,0,0]=2 859 B8R0.5 CCOC(=O)C[C@@H](C)N CNP0183857.1 [0,2,0,0,0,0|0,0,0]=2 860 B8R0.5 CCOC(=O)C[C@@H](C)O CNP0265277.2 [0,2,0,0,0,0|0,0,0]=2 861 B8R0.5 CCOC(=O)C[C@H](C)O CNP0265277.1 [0,2,0,0,0,0|0,0,0]=2 862 B8R0.5 CCOC(=O)C[S+](C)C CNP0041723.0 [0,2,0,0,0,0|1,0,0]=3 863 B8R0.5 CCOC(=O)C[S](C)C CNP0481099.0 [0,2,0,0,0,0|1,0,0]=3 864 B8R0.5 CCSC(=S)OC(C)C CNP0320559.0 [0,2,0,0,0,0|1,1,0]=4 865 B8R0.16 CO/C(=N/O)/C[C@H](C)O CNP0423292.1 [0,2,0,0,0,0|0,0,1]=3 866 B8R0.16 COC(CC(C)C)OC CNP0256947.0 [0,2,0,0,0,0|0,0,2]=4 867 B8R0.19 CC=C(C)CC(=O)OC CNP0103912.0 [0,2,0,0,0,0|0,0,1]=3 868 B8R0.19 CCC(=CC(=O)OC)C CNP0599334.0 [0,2,0,0,0,0|0,0,1]=3 869 B8R0.19 CCC(=O)C=C(C)CC CNP0594723.0 [0,2,0,0,0,0|1,0,1]=4 870 B8R0.19 CCC(=O)C[C@@H](C)CC CNP0076878.1 [0,2,0,0,0,0|1,0,0]=3 871 B8R0.19 CCC(=O)C[C@H](C)CC CNP0076878.2 [0,2,0,0,0,0|1,0,0]=3 872 B8R0.19 CCC(=O)OC(=O)CC CNP0221754.0 [0,2,0,0,0,0|1,0,1]=4 873 B8R0.19 CCC(=O)O[C@@H](C)CC CNP0151376.1 [0,2,0,0,0,0|1,0,0]=3 874 B8R0.19 CC[C@H](C)CC(=O)OC CNP0302802.1 [0,2,0,0,0,0|0,0,0]=2 875 B8R0.19 CC[C@H](O)CC(=O)OC CNP0318883.1 [0,2,0,0,0,0|0,0,0]=2 876 B8R0.19 CNC(=CC(=O)OC)C CNP0390582.0 [0,2,0,0,0,0|0,0,2]=4 877 B8R0.19 CNC(=O)NC(=O)OC CNP0277536.0 [0,2,0,0,0,0|1,0,1]=4 878 B8R0.19 COC(=O)CC(=O)OC CNP0320608.0 [0,2,0,0,0,0|0,0,1]=3 879 B8R0.19 COC(=O)CC(C)SC CNP0007855.0 [0,2,0,0,0,0|0,0,0]=2 880 B8R0.19 COC(=O)OC(=O)OC CNP0163247.0 [0,2,0,0,0,0|1,0,1]=4 881 B8R0.19 O=C(CO)C[C@@H](O)CO CNP0343552.1 [0,2,0,0,0,0|2,0,0]=4 882 B8R0.19 O=CC(=O)C[C@@H](O)CO CNP0343388.1 [0,2,0,0,0,0|2,0,0]=4 883 B8R0.23 CC(=O)C(=O)CC(C)C CNP0131749.0 [0,2,0,0,0,0|1,0,0]=3 884 B8R0.23 CC(=O)CC(=O)C(C)C CNP0109827.0 [0,2,0,0,0,0|1,0,1]=4 885 B8R0.23 CC(=O)CC(=O)N(C)C CNP0333027.0 [0,2,0,0,0,0|1,0,1]=4 886 B8R0.23 CC(C)CC(=O)C(=O)O CNP0271985.0 [0,2,0,0,0,0|2,0,0]=4 887 B8R0.23 CC(C)CC(=O)C(C)O CNP0003258.0 [0,2,0,0,0,0|1,0,0]=3 888 B8R0.23 CC(C)OC(=O)C(C)C CNP0251914.0 [0,2,0,0,0,0|2,0,0]=4 889 B8R0.23 CC(O)CC(=O)C(=O)O CNP0082912.0 [0,2,0,0,0,0|2,0,0]=4 890 B8R0.23 CN(C)CC(=O)N(C)C CNP0095024.0 [0,2,0,0,0,0|2,0,0]=4 891 B8R0.24 C=C(C[N+](C)(C)C)OC CNP0599697.0 [0,2,0,0,0,0|2,0,0]=4 892 B8R0.24 CC=C(C)CC(C)(C)C CNP0003427.0 [0,2,0,0,0,0|2,0,0]=4 893 B8R0.24 CCC(=O)OC(C)(C)C CNP0611667.0 [0,2,0,0,0,0|2,0,0]=4 894 B8R0.24 COC(=O)CC(C)(C)O CNP0003368.0 [0,2,0,0,0,0|0,0,0]=2 895 B8R0.1 C=CCCC(=O)OCC CNP0003358.0 [0,2,0,0,0,0|0,0,1]=3 896 B8R0.1 C=CCOC(=O)C=CC CNP0018156.0 [0,2,0,0,0,0|0,0,2]=4 897 B8R0.1 C=CCOC(=O)CCC CNP0002468.0 [0,2,0,0,0,0|0,0,0]=2 898 B8R0.1 C=CCOS(=S)CCC CNP0539832.0 [0,2,0,0,0,0|1,1,0]=4 899 B8R0.1 CC=CC(=O)CCCC CNP0170062.0 [0,2,0,0,0,0|1,0,0]=3 900 B8R0.1 CCCC(=O)OCSC CNP0002701.0 [0,2,0,0,0,0|0,0,0]=2 901 B8R0.1 CCCC(S)CCOC CNP0309037.0 [0,2,0,0,0,0|0,1,1]=4 902 B8R0.1 CCCCC(=O)CCC CNP0094009.0 [0,2,0,0,0,0|1,0,0]=3 903 B8R0.1 CCCCC(=O)OCC CNP0305309.0 [0,2,0,0,0,0|0,0,0]=2 904 B8R0.1 CCCOC(=O)CCC CNP0083884.0 [0,2,0,0,0,0|0,0,0]=2 905 B8R0.1 CCCOC(C)OCC CNP0154058.0 [0,2,0,0,0,0|1,0,1]=4 906 B8R0.1 CCOC(=O)CCC=O CNP0576338.0 [0,2,0,0,0,0|0,0,1]=3 907 B8R0.1 CCOC(=O)CCCO CNP0364509.0 [0,2,0,0,0,0|0,0,0]=2 908 B8R0.1 CCOC(=O)CCSC CNP0199051.0 [0,2,0,0,0,0|0,0,0]=2 909 B8R0.1 CCO[S@H](=O)SCSC CNP0547114.1 [0,2,0,0,0,0|2,0,0]=4 910 B8R0.1 CCO[S@](=O)SCSC CNP0331532.1 [0,2,0,0,0,0|2,0,0]=4 911 B8R0.3 C/C=C/C(=O)[C@@H](C)CC CNP0293827.1 [0,2,0,0,0,0|1,0,0]=3 912 B8R0.3 C/C=C/C(=O)[C@H](C)CC CNP0293827.2 [0,2,0,0,0,0|1,0,0]=3 913 B8R0.3 C=C(CC)C(=O)COC CNP0612231.0 [0,2,0,0,0,0|0,0,1]=3 914 B8R0.3 C=CCC(C)C(=O)CC CNP0611593.0 [0,2,0,0,0,0|1,0,1]=4 915 B8R0.3 CC=C(C)C(=O)OCC CNP0316393.0 [0,2,0,0,0,0|0,0,2]=4 916 B8R0.3 CCC=C(C)C(=O)CC CNP0523959.0 [0,2,0,0,0,0|1,0,1]=4 917 B8R0.3 CCCC(=O)C(=O)CC CNP0163333.0 [0,2,0,0,0,0|1,0,0]=3 918 B8R0.3 CCCC(=O)C(C)CC CNP0595391.0 [0,2,0,0,0,0|1,0,0]=3 919 B8R0.3 CCC[C@@H](C)C(=O)CC CNP0243373.2 [0,2,0,0,0,0|1,0,0]=3 920 B8R0.3 CCC[C@H](C)C(=O)CC CNP0243373.1 [0,2,0,0,0,0|1,0,0]=3 921 B8R0.3 CCC[C@H](C)C(=O)OC CNP0002914.1 [0,2,0,0,0,0|0,0,0]=2 922 B8R0.3 CCOC(=O)C(=NO)C CNP0380826.0 [0,2,0,0,0,0|2,0,0]=4 923 B8R0.3 CCOC(=O)C(=O)CC CNP0506120.0 [0,2,0,0,0,0|0,0,1]=3 924 B8R0.3 CCOC(=O)[C@@H](C)C=O CNP0028245.1 [0,2,0,0,0,0|1,0,1]=4 925 B8R0.3 CCOC(=O)[C@@H](C)CC CNP0105613.2 [0,2,0,0,0,0|0,0,0]=2 926 B8R0.3 CCOC(=O)[C@@H](N)CO CNP0522179.2 [0,2,0,0,0,0|1,0,0]=3 927 B8R0.3 CCOC(=O)[C@@H](N)CS CNP0398806.2 [0,2,0,0,0,0|1,0,0]=3 928 B8R0.3 CCOC(=O)[C@H](C)CC CNP0105613.1 [0,2,0,0,0,0|0,0,0]=2 929 B8R0.3 CCOC(=O)[C@H](N)CO CNP0522179.1 [0,2,0,0,0,0|1,0,0]=3 930 B8R0.3 CCOC(=O)[C@H](O)C#N CNP0342133.1 [0,2,0,0,0,0|1,0,1]=4 931 B8R0.3 CNC[C@@H](C)C(=O)OC CNP0198050.1 [0,2,0,0,0,0|0,0,0]=2 932 B8R0.3 COC[C@@H](N)C(=O)OC CNP0591691.1 [0,2,0,0,0,0|0,0,0]=2 933 B8R0.3 COC[C@H](N)C(=O)OC CNP0591691.2 [0,2,0,0,0,0|0,0,0]=2 934 B8R0.6 C=CC(=O)CC=CCC CNP0046682.0 [0,2,0,0,0,0|1,0,1]=4 935 B8R0.6 C=CC(=O)CCCCC CNP0297364.0 [0,2,0,0,0,0|1,0,1]=4 936 B8R0.6 C=CC(=O)OCCCC CNP0191898.0 [0,2,0,0,0,0|1,0,1]=4 937 B8R0.6 CC=C(O)CCCCC CNP0174345.0 [0,2,0,0,0,0|1,0,1]=4 938 B8R0.6 CC=CC=CC(=O)OC CNP0320063.0 [0,2,0,0,0,0|0,0,2]=4 939 B8R0.6 CCC=CCC(=O)OC CNP0261842.0 [0,2,0,0,0,0|0,0,0]=2 940 B8R0.6 CCCC=CC(=O)CC CNP0017905.0 [0,2,0,0,0,0|1,0,0]=3 941 B8R0.6 CCCC=CC(=O)OC CNP0385542.0 [0,2,0,0,0,0|0,0,0]=2 942 B8R0.6 CCCCCC(=O)CC CNP0381627.0 [0,2,0,0,0,0|1,0,0]=3 943 B8R0.6 CCCCCC(=O)CO CNP0546319.0 [0,2,0,0,0,0|2,0,0]=4 944 B8R0.6 CCCCCC(=O)OC CNP0192346.0 [0,2,0,0,0,0|0,0,0]=2 945 B8R0.6 CCCCCC(=O)SC CNP0018085.0 [0,2,0,0,0,0|0,1,0]=3 946 B8R0.6 CCCCOC(=O)CC CNP0139208.0 [0,2,0,0,0,0|1,0,0]=3 947 B8R0.6 CCCCO[C@H](C)OC CNP0139681.1 [0,2,0,0,0,0|1,0,1]=4 948 B8R0.6 CCNC=CC(=O)OC CNP0034693.0 [0,2,0,0,0,0|0,0,1]=3 949 B8R0.6 COC(=O)CCCSC CNP0313998.0 [0,2,0,0,0,0|0,0,0]=2 950 B8R0.6 COC(C)COCCCl CNP0537294.0 [0,2,0,0,0,0|1,0,1]=4 951 B8R0.6 COCCCC(=O)OC CNP0580088.0 [0,2,0,0,0,0|0,0,0]=2 952 B8R0.8 C=C(C)C(=O)OCCO CNP0083392.0 [0,2,0,0,0,0|2,0,0]=4 953 B8R0.8 CCCC=C(C)C(=O)C CNP0077419.0 [0,2,0,0,0,0|2,0,0]=4 954 B8R0.8 CCCCC(=O)C(=O)C CNP0125705.0 [0,2,0,0,0,0|1,0,0]=3 955 B8R0.8 CCCCC(=O)C(=O)O CNP0301313.0 [0,2,0,0,0,0|2,0,0]=4 956 B8R0.8 CCCCC(=O)C(C)C CNP0611681.0 [0,2,0,0,0,0|1,0,0]=3 957 B8R0.8 CCCCC(=O)C(C)O CNP0255331.0 [0,2,0,0,0,0|1,0,0]=3 958 B8R0.8 CCCCC(=O)[C@H](C)O CNP0255331.1 [0,2,0,0,0,0|1,0,0]=3 959 B8R0.8 CCCOC(=O)C(C)C CNP0084342.0 [0,2,0,0,0,0|1,0,0]=3 960 B8R0.8 CN(C)C(=O)CCCO CNP0335137.0 [0,2,0,0,0,0|1,0,0]=3 961 B8R0.8 CSCCC(=O)C(=O)C CNP0269009.0 [0,2,0,0,0,0|1,0,0]=3 962 B8R0.8 CSCCC(=O)C(=O)O CNP0135111.0 [0,2,0,0,0,0|2,0,0]=4 963 B8R0.8 NCCCC(=O)C(=O)O CNP0082812.0 [0,2,0,0,0,0|2,0,0]=4 964 B8R0.9 CC=C(C)CCC(=O)C CNP0152365.0 [0,2,0,0,0,0|2,0,0]=4 965 B8R0.9 CCC(=O)CC=C(C)C CNP0559660.0 [0,2,0,0,0,0|1,0,1]=4 966 B8R0.9 CCC(=O)CCC(=O)C CNP0351129.0 [0,2,0,0,0,0|1,0,0]=3 967 B8R0.9 CCC(=O)CCC(=O)O CNP0609090.0 [0,2,0,0,0,0|1,0,1]=4 968 B8R0.9 CCC(=O)CCC(C)C CNP0542568.0 [0,2,0,0,0,0|1,0,0]=3 969 B8R0.9 CCC(=O)CC[C@H](C)O CNP0304826.1 [0,2,0,0,0,0|1,0,0]=3 970 B8R0.9 CCC(=O)COC(=O)C CNP0146309.0 [0,2,0,0,0,0|1,0,1]=4 971 B8R0.9 CCC(=O)OCC(C)C CNP0246924.0 [0,2,0,0,0,0|1,0,0]=3 972 B8R0.9 CNC(=O)CNC(=O)C CNP0066321.0 [0,2,0,0,0,0|1,0,1]=4 973 B8R0.9 COC(=O)CC=C(C)C CNP0248108.0 [0,2,0,0,0,0|0,0,1]=3 974 B8R0.9 COC(=O)CCC(=O)C CNP0333853.0 [0,2,0,0,0,0|0,0,0]=2 975 B8R0.9 COC(=O)CCC(=O)N CNP0319465.0 [0,2,0,0,0,0|0,0,1]=3 976 B8R0.9 COC(=O)CCC(=O)O CNP0184181.0 [0,2,0,0,0,0|0,0,1]=3 977 B8R0.9 COC(=O)CCC(C)C CNP0318638.0 [0,2,0,0,0,0|0,0,0]=2 978 B8R0.9 COC(=O)CNC(=O)C CNP0234479.0 [0,2,0,0,0,0|0,0,1]=3 979 B8R0.9 CSC(=O)CCC(C)C CNP0017780.0 [0,2,0,0,0,0|0,1,0]=3 980 B8R0.11 C=CC(=CCCC)C=O CNP0610785.0 [0,2,0,0,0,0|1,0,1]=4 981 B8R0.11 CC=C(C=O)C=CCC CNP0281953.0 [0,2,0,0,0,0|1,0,1]=4 982 B8R0.11 CC=C(C=O)CCCC CNP0002855.0 [0,2,0,0,0,0|1,0,0]=3 983 B8R0.11 CCCC=C(C=O)CC CNP0088815.0 [0,2,0,0,0,0|1,0,0]=3 984 B8R0.11 CCCCC(=CO)CC CNP0529227.0 [0,2,0,0,0,0|1,0,1]=4 985 B8R0.11 CCCCC(OC)OC CNP0417281.0 [0,2,0,0,0,0|0,0,2]=4 986 B8R0.11 CCCC[C@@H](C=O)CC CNP0164543.1 [0,2,0,0,0,0|1,0,1]=4 987 B8R0.11 CCCC[C@H](C=O)CC CNP0164543.2 [0,2,0,0,0,0|1,0,1]=4 988 B8R0.25 COP(=O)(O)OCCCl CNP0107078.0 [0,2,0,0,0,0|2,0,0]=4 989 B8R0.14 CCCC(=O)C(C)(C)C CNP0077010.0 [0,2,0,0,0,0|1,0,0]=3 990 B8R0.14 CCOC(=O)C(C)(C)Br CNP0075932.0 [0,2,0,0,0,0|2,0,0]=4 991 B8R0.15 CCCC(=NO)C(=O)C CNP0175867.0 [0,2,0,0,0,0|1,0,1]=4 992 B8R0.15 CCC[C@@H](NC)C(=O)O CNP0223664.1 [0,2,0,0,0,0|1,0,1]=4 993 B8R0.22 CCC=C(C=O)CCC CNP0527539.0 [0,2,0,0,0,0|1,0,0]=3 994 B8R0.22 CCCC(=NO)CCC CNP0366648.0 [0,2,0,0,0,0|1,0,1]=4 995 B8R0.22 CCCC(CC=O)SC CNP0110660.0 [0,2,0,0,0,0|0,1,1]=4 996 B8R0.22 CCCN(C=O)CCC CNP0082253.0 [0,2,0,0,0,0|2,0,0]=4 997 B8R0.30 CCCS(=O)(=O)CCC CNP0537279.0 [0,2,0,0,0,0|2,0,0]=4 998 B8R0.30 CCOP(=O)(Cl)OCC CNP0609096.0 [0,2,0,0,0,0|2,0,0]=4 999 B8R0.30 CCOP(=O)(O)OCC CNP0088182.0 [0,2,0,0,0,0|2,0,0]=4 1000 B8R0.30 CCOS(=O)(=O)OCC CNP0264783.0 [0,2,0,0,0,0|2,0,0]=4 1001 B8R0.13 CC=C(C)C(C)(C)CC CNP0314170.0 [0,2,0,0,0,0|2,0,0]=4 1002 B8R0.13 CC[C@@](C)(N)C(=O)OC CNP0272787.1 [0,2,0,0,0,0|0,0,0]=2 1003 B8R0.13 CC[C@@](C)(O)C(=O)OC CNP0227433.1 [0,2,0,0,0,0|0,0,0]=2 1004 B8R0.13 CNC(C)(C)C(=O)OC CNP0573979.0 [0,2,0,0,0,0|1,0,0]=3 1005 B8R0.13 COC(=O)C(C)(C)OC CNP0270114.0 [0,2,0,0,0,0|1,0,0]=3 1006 B8R0.20 CCC(CC)C(=O)OC CNP0406940.0 [0,2,0,0,0,0|0,0,0]=2 1007 B8R0.20 CCC(SC)C(=O)OC CNP0407367.0 [0,2,0,0,0,0|0,0,0]=2 1008 B8R0.31 CCCC(C)(CC)OC CNP0082474.0 [0,2,0,0,0,0|1,0,1]=4 1009 B6R1.2 C=C1CCCC1 CNP0338602.0 [1,0,0,1,0,0|1,0,0]=3 1010 B6R1.2 CC1=CCCC1 CNP0610106.0 [1,0,0,1,0,0|1,0,0]=3 1011 B6R1.2 CC1=CCCS1 CNP0003101.0 [1,0,0,1,0,0|0,1,1]=4 1012 B6R1.2 CC1=CCOC1 CNP0516552.0 [1,0,0,1,0,0|2,0,0]=4 1013 B6R1.2 CC1=COCC1 CNP0002470.0 [1,0,0,1,0,0|2,0,0]=4 1014 B6R1.2 CC1=NCCO1 CNP0601624.0 [1,0,0,1,0,0|1,0,1]=4 1015 B6R1.2 CC1=NCCS1 CNP0225264.0 [1,0,0,1,0,0|1,1,0]=4 1016 B6R1.2 CC1=NCSC1 CNP0134706.0 [1,0,0,1,0,0|2,0,0]=4 1017 B6R1.2 CC1CCCC1 CNP0194612.0 [1,0,0,1,0,0|1,0,1]=4 1018 B6R1.2 CC1CCCO1 CNP0502439.0 [1,0,0,1,0,0|0,0,2]=4 1019 B6R1.2 CN1CCCC1 CNP0395436.0 [1,0,0,1,0,0|2,0,0]=4 1020 B6R1.2 C[C@@H]1CCCN1 CNP0080827.1 [1,0,0,1,0,0|1,0,1]=4 1021 B6R1.2 C[N+]1=CCCC1 CNP0251573.0 [1,0,0,1,0,0|2,0,0]=4 1022 B6R1.2 NN1CCCC1 CNP0577233.0 [1,0,0,1,0,0|2,0,0]=4 1023 B6R1.2 O=C1C=CCC1 CNP0122561.0 [1,0,0,1,0,0|0,0,2]=4 1024 B6R1.2 O=C1C=CCO1 CNP0253714.0 [1,0,0,1,0,0|0,0,2]=4 1025 B6R1.2 O=C1CC=CO1 CNP0494071.0 [1,0,0,1,0,0|0,0,2]=4 1026 B6R1.2 O=C1CCCC1 CNP0287963.0 [1,0,0,1,0,0|0,0,0]=2 1027 B6R1.2 O=C1CCCN1 CNP0127855.0 [1,0,0,1,0,0|1,0,0]=3 1028 B6R1.2 O=C1CCCO1 CNP0315299.0 [1,0,0,1,0,0|0,0,0]=2 1029 B6R1.2 O=C1CCCS1 CNP0084584.0 [1,0,0,1,0,0|0,1,0]=3 1030 B6R1.2 O=C1CCNN1 CNP0035182.0 [1,0,0,1,0,0|2,0,0]=4 1031 B6R1.2 O=C1CCOC1 CNP0051503.0 [1,0,0,1,0,0|1,0,0]=3 1032 B6R1.2 O=C1CCON1 CNP0325381.0 [1,0,0,1,0,0|2,0,0]=4 1033 B6R1.2 O=C1CCSC1 CNP0003522.0 [1,0,0,1,0,0|1,0,0]=3 1034 B6R1.2 O=C1NCCO1 CNP0064744.0 [1,0,0,1,0,0|1,0,0]=3 1035 B6R1.2 OC1=NCCC1 CNP0485346.0 [1,0,0,1,0,0|1,0,0]=3 1036 B6R1.2 OC1=NOCC1 CNP0504784.0 [1,0,0,1,0,0|2,0,0]=4 1037 B6R1.2 OC1CCCC1 CNP0085994.0 [1,0,0,1,0,0|0,0,2]=4 1038 B6R1.2 S=C1NCCO1 CNP0275785.0 [1,0,0,1,0,0|1,1,0]=4 1039 B6R1.2 SC1=NCCO1 CNP0580429.0 [1,0,0,1,0,0|1,1,0]=4 1040 B6R1.2 SC1CCCC1 CNP0280825.0 [1,0,0,1,0,0|0,1,1]=4 1041 B6R1.3 CCCC1CC1 CNP0506060.0 [1,0,0,1,0,0|1,0,1]=4 1042 B6R1.5 C[C@H]1CC(=O)O1 CNP0232064.1 [1,0,0,1,0,0|0,0,0]=2 1043 B6R1.5 O=C1C[C@@H](O1)O CNP0300715.1 [1,0,0,1,0,0|1,0,0]=3 1044 B6R1.8 CC[C@@H]1C[C@@H]1C CNP0076250.1 [1,0,0,1,0,0|1,0,1]=4 1045 B6R1.8 O=C1CC1CO CNP0073765.0 [1,0,0,1,0,0|1,0,0]=3 1046 B6R1.9 CC1CC1(C)C CNP0507743.0 [1,0,0,1,0,0|1,0,1]=4 1047 B6R1.1 C1=CCCCC1 CNP0275665.0 [1,0,0,1,0,0|1,0,0]=3 1048 B6R1.1 C1=CCNCC1 CNP0086452.0 [1,0,0,1,0,0|2,0,0]=4 1049 B6R1.1 C1=CNCCC1 CNP0200592.0 [1,0,0,1,0,0|1,0,1]=4 1050 B6R1.1 C1=COCCC1 CNP0583467.0 [1,0,0,1,0,0|0,0,1]=3 1051 B6R1.1 C1=NCCCC1 CNP0139263.0 [1,0,0,1,0,0|1,0,0]=3 1052 B6R1.1 C1CCCCC1 CNP0220772.0 [1,0,0,1,0,0|1,0,1]=4 1053 B6R1.1 C1CCNCC1 CNP0153358.0 [1,0,0,1,0,0|1,0,1]=4 1054 B6R1.1 C1CCOCC1 CNP0484551.0 [1,0,0,1,0,0|0,0,1]=3 1055 B6R1.1 C1COCCN1 CNP0167865.0 [1,0,0,1,0,0|1,0,1]=4 1056 B6R1.1 C1COCCO1 CNP0353166.0 [1,0,0,1,0,0|1,0,1]=4 1057 B6R1.1 C1COCSC1 CNP0517977.0 [1,0,0,1,0,0|1,0,1]=4 1058 B6R1.1 [CH]1C=CCCC1 CNP0541179.0 [1,0,0,1,0,0|1,0,1]=4 1059 B6R1.4 C[C@H]1CS[C@@H]1C CNP0207395.1 [1,0,0,1,0,0|2,0,0]=4 1060 B6R1.6 OCC1C=CC1 CNP0202846.0 [1,0,0,1,0,0|2,0,0]=4 1061 B8R1.1 CC=C1C=C(CC1)C CNP0076579.0 [0,1,0,1,0,0|2,0,0]=4 1062 B8R1.1 CCC1=CC(=O)CC1 CNP0307278.0 [0,1,0,1,0,0|1,0,1]=4 1063 B8R1.1 CC[C@@H]1C=CC(=O)O1 CNP0332158.1 [0,1,0,1,0,0|1,0,1]=4 1064 B8R1.1 CC[C@@H]1CCC(=O)O1 CNP0276218.2 [0,1,0,1,0,0|1,0,0]=3 1065 B8R1.1 CC[C@@H]1COC(=S)N1 CNP0247188.2 [0,1,0,1,0,0|0,1,0]=3 1066 B8R1.1 CC[C@H]1CCC(=O)O1 CNP0276218.1 [0,1,0,1,0,0|1,0,0]=3 1067 B8R1.1 CC[C@H]1COC(=O)C1 CNP0207946.1 [0,1,0,1,0,0|0,0,0]=2 1068 B8R1.1 CC[C@H]1COC(=S)N1 CNP0247188.1 [0,1,0,1,0,0|0,1,0]=3 1069 B8R1.1 COC1=CC(=O)OC1 CNP0407437.0 [0,1,0,1,0,0|0,0,2]=4 1070 B8R1.1 COC1C=CC(=O)C1 CNP0529998.0 [0,1,0,1,0,0|1,0,1]=4 1071 B8R1.1 CO[C@@H]1CCC(=O)N1 CNP0302885.1 [0,1,0,1,0,0|2,0,0]=4 1072 B8R1.1 CO[C@@H]1COC(=O)C1 CNP0018508.1 [0,1,0,1,0,0|0,0,0]=2 1073 B8R1.1 NC[C@H]1CCC(=O)O1 CNP0474294.1 [0,1,0,1,0,0|2,0,0]=4 1074 B8R1.1 O=C1C=C(CO1)CO CNP0230672.0 [0,1,0,1,0,0|0,0,2]=4 1075 B8R1.1 O=C1CC[C@@H](C1)CO CNP0540442.1 [0,1,0,1,0,0|1,0,0]=3 1076 B8R1.1 O=C1CC[C@@H](N1)CBr CNP0024090.1 [0,1,0,1,0,0|2,0,0]=4 1077 B8R1.1 O=C1CC[C@@H](O1)CBr CNP0033303.1 [0,1,0,1,0,0|2,0,0]=4 1078 B8R1.1 O=C1CC[C@@H](O1)CO CNP0117294.2 [0,1,0,1,0,0|2,0,0]=4 1079 B8R1.1 O=C1CC[C@H](O1)CO CNP0117294.1 [0,1,0,1,0,0|2,0,0]=4 1080 B8R1.4 CC1=CC(=O)CCC1 CNP0209762.0 [0,1,0,1,0,0|1,0,0]=3 1081 B8R1.4 CC1=CC(=O)CCO1 CNP0226568.0 [0,1,0,1,0,0|2,0,0]=4 1082 B8R1.4 CC1=CC(=O)OCC1 CNP0413900.0 [0,1,0,1,0,0|0,0,2]=4 1083 B8R1.4 CC1=CC(CCC1)C CNP0085833.0 [0,1,0,1,0,0|2,0,0]=4 1084 B8R1.4 CC1=CCCC(=O)C1 CNP0076330.0 [0,1,0,1,0,0|1,0,1]=4 1085 B8R1.4 CC1=CCCC(C1)O CNP0351530.0 [0,1,0,1,0,0|2,0,0]=4 1086 B8R1.4 CC1=CCC[C@H](O1)C CNP0262118.1 [0,1,0,1,0,0|1,0,1]=4 1087 B8R1.4 CC1=C[C@@H](CCC1)O CNP0215038.1 [0,1,0,1,0,0|2,0,0]=4 1088 B8R1.4 CC1CC=CC(=O)C1 CNP0522143.0 [0,1,0,1,0,0|1,0,0]=3 1089 B8R1.4 CC1CCOC(=O)C1 CNP0282964.0 [0,1,0,1,0,0|0,0,0]=2 1090 B8R1.4 C[C@@H]1CC=CC(=O)O1 CNP0386711.2 [0,1,0,1,0,0|0,0,2]=4 1091 B8R1.4 C[C@@H]1CCCC(=O)C1 CNP0243495.2 [0,1,0,1,0,0|1,0,0]=3 1092 B8R1.4 C[C@@H]1CCCC(=O)O1 CNP0340427.1 [0,1,0,1,0,0|0,0,0]=2 1093 B8R1.4 C[C@H]1CC=CC(=O)O1 CNP0386711.1 [0,1,0,1,0,0|0,0,2]=4 1094 B8R1.4 C[C@H]1CCCC(=O)C1 CNP0243495.1 [0,1,0,1,0,0|1,0,0]=3 1095 B8R1.4 C[C@H]1CCCC(=O)O1 CNP0340427.2 [0,1,0,1,0,0|0,0,0]=2 1096 B8R1.4 C[C@H]1CCNC(=S)O1 CNP0313391.1 [0,1,0,1,0,0|1,1,0]=4 1097 B8R1.4 O=C1C=C(CCC1)O CNP0445529.0 [0,1,0,1,0,0|1,0,1]=4 1098 B8R1.4 O=C1C=C(CCO1)O CNP0610564.0 [0,1,0,1,0,0|0,0,2]=4 1099 B8R1.4 O=C1CCCC(=O)O1 CNP0609625.0 [0,1,0,1,0,0|0,0,1]=3 1100 B8R1.18 CC1=CC(=O)CC1C CNP0529519.0 [0,1,0,1,0,0|1,0,0]=3 1101 B8R1.18 CC1=C[C@@H](OC1=O)C CNP0153063.2 [0,1,0,1,0,0|2,0,0]=4 1102 B8R1.18 CC1=C[C@H](OC1=O)C CNP0153063.1 [0,1,0,1,0,0|2,0,0]=4 1103 B8R1.18 CC1CC(=O)OC1=O CNP0605808.0 [0,1,0,1,0,0|0,0,1]=3 1104 B8R1.18 CC1CC(C(=O)O1)N CNP0391379.0 [0,1,0,1,0,0|2,0,0]=4 1105 B8R1.18 CC1OC(=O)OC1C CNP0571376.0 [0,1,0,1,0,0|1,0,0]=3 1106 B8R1.18 C[C@@H]1C=C(C(=O)C1)O CNP0171928.1 [0,1,0,1,0,0|1,0,1]=4 1107 B8R1.18 C[C@@H]1CC(=O)O[C@@H]1O CNP0514766.1 [0,1,0,1,0,0|0,0,0]=2 1108 B8R1.18 C[C@@H]1CC(=O)O[C@H]1C CNP0262923.2 [0,1,0,1,0,0|0,0,0]=2 1109 B8R1.18 C[C@@H]1C[C@@H](C(=O)O1)C CNP0247990.1 [0,1,0,1,0,0|2,0,0]=4 1110 B8R1.18 C[C@@H]1C[C@@H](C(=O)O1)O CNP0321716.1 [0,1,0,1,0,0|2,0,0]=4 1111 B8R1.18 C[C@H]1CC(=O)O[C@@H]1C CNP0262923.1 [0,1,0,1,0,0|0,0,0]=2 1112 B8R1.18 C[C@H]1OC(=O)CC1=O CNP0358326.1 [0,1,0,1,0,0|1,0,1]=4 1113 B8R1.31 C[C@@H](O)[C@@H]1CNC1=O CNP0044057.1 [0,1,0,1,0,0|1,0,0]=3 1114 B8R1.51 CC1(C=CC(=O)C1)C CNP0075974.0 [0,1,0,1,0,0|1,0,1]=4 1115 B8R1.51 CC1(COC(=O)C1)C CNP0084721.0 [0,1,0,1,0,0|0,0,0]=2 1116 B8R1.51 CC1=NC(CO1)(C)C CNP0063673.0 [0,1,0,1,0,0|2,0,0]=4 1117 B8R1.2 C=CC1=CCCCC1 CNP0552641.0 [0,1,0,1,0,0|2,0,0]=4 1118 B8R1.2 CCC1=CCCCC1 CNP0080676.0 [0,1,0,1,0,0|2,0,0]=4 1119 B8R1.2 CC[C@@H]1CCCCO1 CNP0273678.2 [0,1,0,1,0,0|1,0,1]=4 1120 B8R1.2 CC[C@H]1CCCCO1 CNP0273678.1 [0,1,0,1,0,0|1,0,1]=4 1121 B8R1.2 COC1=CCCCC1 CNP0354574.0 [0,1,0,1,0,0|1,0,0]=3 1122 B8R1.2 N=C=C1CCCCC1 CNP0105477.0 [0,1,0,1,0,0|2,0,0]=4 1123 B8R1.2 O=CC1=CCCCC1 CNP0075083.0 [0,1,0,1,0,0|1,0,0]=3 1124 B8R1.2 O=CC1CCCCC1 CNP0419979.0 [0,1,0,1,0,0|1,0,1]=4 1125 B8R1.2 O=CN1CCCCC1 CNP0187689.0 [0,1,0,1,0,0|2,0,0]=4 1126 B8R1.2 O=NN1CCCCC1 CNP0313974.0 [0,1,0,1,0,0|2,0,0]=4 1127 B8R1.2 OCC1=CCCCC1 CNP0075365.0 [0,1,0,1,0,0|1,0,1]=4 1128 B8R1.2 OC[C@H]1CCCCO1 CNP0281977.1 [0,1,0,1,0,0|0,0,2]=4 1129 B8R1.2 ON=C1CCCCC1 CNP0102527.0 [0,1,0,1,0,0|1,0,1]=4 1130 B8R1.3 CC1=CCC(=O)CC1 CNP0134778.0 [0,1,0,1,0,0|1,0,1]=4 1131 B8R1.3 CC1CCC(=O)CC1 CNP0165916.0 [0,1,0,1,0,0|1,0,0]=3 1132 B8R1.3 CC1CCC(=O)CO1 CNP0611860.0 [0,1,0,1,0,0|1,0,0]=3 1133 B8R1.3 CN1CCC(=O)CC1 CNP0180189.0 [0,1,0,1,0,0|1,0,0]=3 1134 B8R1.3 O=C1CCC(=O)CC1 CNP0521419.0 [0,1,0,1,0,0|1,0,1]=4 1135 B8R1.3 O=C1CCC(=O)OC1 CNP0357956.0 [0,1,0,1,0,0|0,0,1]=3 1136 B8R1.5 C=C1CCCCC1C CNP0595985.0 [0,1,0,1,0,0|2,0,0]=4 1137 B8R1.5 CC1=CCCC[C@@H]1O CNP0368729.1 [0,1,0,1,0,0|2,0,0]=4 1138 B8R1.5 CC1CCCC=C1Cl CNP0566805.0 [0,1,0,1,0,0|2,0,0]=4 1139 B8R1.5 CC1CCCCC1=O CNP0003363.0 [0,1,0,1,0,0|1,0,0]=3 1140 B8R1.5 CC1CCCOC1=O CNP0340524.0 [0,1,0,1,0,0|0,0,0]=2 1141 B8R1.5 N[C@@H]1CCCNC1=O CNP0274946.1 [0,1,0,1,0,0|1,0,0]=3 1142 B8R1.5 O=C1C=CCC[C@H]1O CNP0184265.1 [0,1,0,1,0,0|1,0,1]=4 1143 B8R1.5 O=C1CCCC=C1O CNP0238036.0 [0,1,0,1,0,0|1,0,1]=4 1144 B8R1.5 O=C1CCCCC1=O CNP0610133.0 [0,1,0,1,0,0|1,0,0]=3 1145 B8R1.5 O=C1CCCCC1O CNP0610127.0 [0,1,0,1,0,0|1,0,0]=3 1146 B8R1.22 NC1=NCCCCC1 CNP0446960.0 [0,1,0,1,0,0|2,0,0]=4 1147 B8R1.22 NC1=[NH+]CCCCC1 CNP0594018.0 [0,1,0,1,0,0|2,0,0]=4 1148 B8R1.22 O=C1CC=CCCC1 CNP0354385.0 [0,1,0,1,0,0|1,0,1]=4 1149 B8R1.22 O=C1CCCCCC1 CNP0486939.0 [0,1,0,1,0,0|1,0,0]=3 1150 B8R1.22 O=C1CCCCCN1 CNP0157959.0 [0,1,0,1,0,0|1,0,0]=3 1151 B8R1.22 O=C1CCCCCO1 CNP0358428.0 [0,1,0,1,0,0|0,0,0]=2 1152 B8R1.22 O=C1NCCCCN1 CNP0433632.0 [0,1,0,1,0,0|1,0,0]=3 1153 B8R1.22 OC1=NCCCCC1 CNP0523769.0 [0,1,0,1,0,0|1,0,1]=4 1154 B8R1.50 C=C1C(=O)OC[C@@H]1O CNP0216725.1 [0,1,0,1,0,0|1,0,1]=4 1155 B8R1.50 C=C1C(=O)OC[C@H]1O CNP0216725.2 [0,1,0,1,0,0|1,0,1]=4 1156 B8R1.50 CC1=C(C(=O)CC1)C CNP0395678.0 [0,1,0,1,0,0|1,0,0]=3 1157 B8R1.50 CC1=C(C(=O)CC1)O CNP0301474.0 [0,1,0,1,0,0|2,0,0]=4 1158 B8R1.50 CC1=C(C(CC1)C)C CNP0610113.0 [0,1,0,1,0,0|2,0,0]=4 1159 B8R1.50 CC1=CC[C@@H](C1=O)C CNP0035485.1 [0,1,0,1,0,0|1,0,1]=4 1160 B8R1.50 CC1=CC[C@H](C1=O)C CNP0035485.2 [0,1,0,1,0,0|1,0,1]=4 1161 B8R1.50 CC1C(=O)CCC1=O CNP0193836.0 [0,1,0,1,0,0|1,0,1]=4 1162 B8R1.50 CC1CCC(C1=O)C CNP0569003.0 [0,1,0,1,0,0|1,0,0]=3 1163 B8R1.50 CC1OCC(=O)C1C CNP0086303.0 [0,1,0,1,0,0|1,0,0]=3 1164 B8R1.50 CN1CC[C@H](C1=O)O CNP0148419.1 [0,1,0,1,0,0|1,0,0]=3 1165 B8R1.50 C[C@@H]1C(=O)OC[C@@H]1O CNP0400627.1 [0,1,0,1,0,0|1,0,0]=3 1166 B8R1.50 C[C@@H]1C(=O)OC[C@H]1O CNP0400627.2 [0,1,0,1,0,0|1,0,0]=3 1167 B8R1.50 C[C@@H]1COC(=O)[C@@H]1O CNP0158436.1 [0,1,0,1,0,0|0,0,0]=2 1168 B8R1.50 C[C@@H]1CSC(=O)[C@H]1C CNP0371983.1 [0,1,0,1,0,0|0,1,0]=3 1169 B8R1.50 C[C@H]1C(=O)OC[C@@H]1O CNP0400627.3 [0,1,0,1,0,0|1,0,0]=3 1170 B8R1.50 C[C@H]1CCC(=O)C1=O CNP0124225.1 [0,1,0,1,0,0|1,0,1]=4 1171 B8R1.50 O=C1OC[C@@H]([C@@H]1O)O CNP0228474.4 [0,1,0,1,0,0|1,0,0]=3 1172 B8R1.50 O=C1OC[C@@H]([C@H]1O)O CNP0228474.2 [0,1,0,1,0,0|1,0,0]=3 1173 B8R1.50 O=C1OC[C@H]([C@@H]1O)O CNP0228474.1 [0,1,0,1,0,0|1,0,0]=3 1174 B8R1.50 O=C1OC[C@H]([C@H]1O)O CNP0228474.3 [0,1,0,1,0,0|1,0,0]=3 1175 B8R1.7 CC(=O)C1=NCCC1 CNP0003511.0 [0,1,0,1,0,0|2,0,0]=4 1176 B8R1.19 CC1(CCCC1=O)C CNP0560087.0 [0,1,0,1,0,0|1,0,0]=3 1177 B8R1.19 CC1CCCS1(=O)=O CNP0560961.0 [0,1,0,1,0,0|2,0,0]=4 1178 B8R1.19 C[C@@]1(OCCC1=O)O CNP0160113.1 [0,1,0,1,0,0|2,0,0]=4 1179 B8R1.37 CCCC(C)C1CO1 CNP0076696.0 [0,1,0,1,0,0|1,0,1]=4 1180 B8R1.8 CCC=C1CCCC1 CNP0325076.0 [0,1,0,1,0,0|2,0,0]=4 1181 B8R1.8 CCCC1=CC=CO1 CNP0301120.0 [0,1,0,1,0,0|1,0,1]=4 1182 B8R1.8 CCCN1OCCO1 CNP0257167.0 [0,1,0,1,0,0|1,0,1]=4 1183 B8R1.8 COC[C@@H]1CCCN1 CNP0414825.1 [0,1,0,1,0,0|1,0,1]=4 1184 B8R1.11 CC=C1CCNC1=O CNP0182504.0 [0,1,0,1,0,0|2,0,0]=4 1185 B8R1.11 CCC1=C(CCC1)C CNP0488475.0 [0,1,0,1,0,0|2,0,0]=4 1186 B8R1.11 CCC1=CCCC1=O CNP0033334.0 [0,1,0,1,0,0|1,0,1]=4 1187 B8R1.11 CCC1CCCC1=O CNP0494839.0 [0,1,0,1,0,0|1,0,0]=3 1188 B8R1.11 CCC1SCCC1=O CNP0185206.0 [0,1,0,1,0,0|1,0,0]=3 1189 B8R1.11 CC[C@@H]1CC=CC1=O CNP0060906.1 [0,1,0,1,0,0|1,0,0]=3 1190 B8R1.11 CC[C@H]1CC=CC1=O CNP0060906.2 [0,1,0,1,0,0|1,0,0]=3 1191 B8R1.11 CC[C@H]1CCNC1=O CNP0289303.1 [0,1,0,1,0,0|1,0,0]=3 1192 B8R1.11 COC1=CCOC1=O CNP0235181.0 [0,1,0,1,0,0|1,0,1]=4 1193 B8R1.11 N#CC1CCCC1=O CNP0500496.0 [0,1,0,1,0,0|1,0,1]=4 1194 B8R1.11 O=C1OCC=C1CO CNP0023651.0 [0,1,0,1,0,0|1,0,1]=4 1195 B8R1.39 COC(=O)C1(CC1)N CNP0262298.0 [0,1,0,1,0,0|0,0,0]=2 1196 B8R2.11 C=C1C2C1CCC2 CNP0538845.0 [0,0,0,2,0,0|2,0,0]=4 1197 B8R2.34 C1CC2OCC1O2 CNP0611976.0 [0,0,0,2,0,0|0,0,2]=4