0 B7R0.4 C=C(C)C=CC=CC CNP0393137.0 [0,0,0,0,0,0|1,0,2]=3 1 B7R0.4 C=C(O)CCCCC CNP0475201.0 [0,0,0,0,0,0|0,0,4]=4 2 B7R0.4 CC(=O)CCCC=O CNP0331218.0 [0,0,0,0,0,0|1,0,3]=4 3 B7R0.4 CC(=O)NCCC=O CNP0100556.0 [0,0,0,0,0,0|2,0,2]=4 4 B7R0.4 CC(=O)OCCCS CNP0325111.0 [0,0,0,0,0,0|2,0,1]=3 5 B7R0.4 CC/C=C/C[C@H](C)O CNP0273661.3 [0,0,0,0,0,0|0,0,4]=4 6 B7R0.4 CC/C=C\C[C@@H](C)O CNP0273661.2 [0,0,0,0,0,0|0,0,4]=4 7 B7R0.4 CC/C=C\C[C@H](C)O CNP0273661.1 [0,0,0,0,0,0|0,0,4]=4 8 B7R0.4 CC=CC=CC(=O)C CNP0332734.0 [0,0,0,0,0,0|0,0,2]=2 9 B7R0.4 CC=CC=CC(=O)O CNP0333361.0 [0,0,0,0,0,0|1,0,2]=3 10 B7R0.4 CCC=CCC(=O)C CNP0207647.0 [0,0,0,0,0,0|0,0,2]=2 11 B7R0.4 CCC=CCC(=O)O CNP0276461.0 [0,0,0,0,0,0|1,0,2]=3 12 B7R0.4 CCC=NNC(=O)N CNP0040516.0 [0,0,0,0,0,0|3,0,1]=4 13 B7R0.4 CCCC=CC(=O)C CNP0280826.0 [0,0,0,0,0,0|0,0,0]=0 14 B7R0.4 CCCC=CC(=O)O CNP0215085.0 [0,0,0,0,0,0|1,0,0]=1 15 B7R0.4 CCCCCC(=O)C CNP0240774.0 [0,0,0,0,0,0|0,0,2]=2 16 B7R0.4 CCCCCC(=O)N CNP0077222.0 [0,0,0,0,0,0|1,0,2]=3 17 B7R0.4 CCCCCC(=O)O CNP0210437.0 [0,0,0,0,0,0|1,0,2]=3 18 B7R0.4 CCCCCC(=S)O CNP0092443.0 [0,0,0,0,0,0|1,0,3]=4 19 B7R0.4 CCCCCC(C)C CNP0146536.0 [0,0,0,0,0,0|1,0,3]=4 20 B7R0.4 CCCCC[14C](=O)O CNP0563421.0 [0,0,0,0,0,0|1,0,2]=3 21 B7R0.4 CCCCC[C@@H](C)N CNP0336832.2 [0,0,0,0,0,0|1,0,3]=4 22 B7R0.4 CCCCC[C@@H](C)O CNP0256316.1 [0,0,0,0,0,0|0,0,4]=4 23 B7R0.4 CCCCC[C@@H](C)S CNP0076785.2 [0,0,0,0,0,0|0,1,3]=4 24 B7R0.4 CCCCC[C@H](C)N CNP0336832.1 [0,0,0,0,0,0|1,0,3]=4 25 B7R0.4 CCCCC[C@H](C)O CNP0256316.2 [0,0,0,0,0,0|0,0,4]=4 26 B7R0.4 CCCCC[C@H](C)S CNP0076785.1 [0,0,0,0,0,0|0,1,3]=4 27 B7R0.4 CCCCNC(=S)N CNP0137764.0 [0,0,0,0,0,0|2,1,1]=4 28 B7R0.4 CCCCOC(=O)C CNP0158571.0 [0,0,0,0,0,0|1,0,1]=2 29 B7R0.4 CCCCS[S@@+](C)[O-] CNP0566357.1 [0,0,0,0,0,0|2,0,2]=4 30 B7R0.4 CCCCS[S@@H+](C)[O-] CNP0518140.1 [0,0,0,0,0,0|2,0,2]=4 31 B7R0.4 CCCNCC(C)C CNP0333564.0 [0,0,0,0,0,0|2,0,2]=4 32 B7R0.4 CCCSCC(C)C CNP0116113.0 [0,0,0,0,0,0|2,0,2]=4 33 B7R0.4 CCCSOC(=O)C CNP0411356.0 [0,0,0,0,0,0|2,0,0]=2 34 B7R0.4 CCCSSC(C)C CNP0309421.0 [0,0,0,0,0,0|3,0,1]=4 35 B7R0.4 CCNCNC(=O)N CNP0182596.0 [0,0,0,0,0,0|3,0,1]=4 36 B7R0.4 CCOCC=C(C)C CNP0002719.0 [0,0,0,0,0,0|2,0,1]=3 37 B7R0.4 CCOCCC(=O)C CNP0086134.0 [0,0,0,0,0,0|1,0,2]=3 38 B7R0.4 CCOCCC(=O)O CNP0566237.0 [0,0,0,0,0,0|2,0,2]=4 39 B7R0.4 CNCCCC(=O)O CNP0216187.0 [0,0,0,0,0,0|2,0,2]=4 40 B7R0.4 COCCCC(=O)C CNP0580201.0 [0,0,0,0,0,0|1,0,2]=3 41 B7R0.4 COCCOC(=O)C CNP0278807.0 [0,0,0,0,0,0|2,0,1]=3 42 B7R0.4 CSSC=CC(C)C CNP0002674.0 [0,0,0,0,0,0|3,0,1]=4 43 B7R0.4 NC(=O)COCCO CNP0488363.0 [0,0,0,0,0,0|3,0,1]=4 44 B7R0.4 NCCCCC(=O)N CNP0001733.0 [0,0,0,0,0,0|2,0,2]=4 45 B7R0.4 NCCCCC(=O)O CNP0167970.0 [0,0,0,0,0,0|2,0,2]=4 46 B7R0.4 NCCNCC(=O)O CNP0461877.0 [0,0,0,0,0,0|3,0,1]=4 47 B7R0.4 O=C(O)CCCCO CNP0601188.0 [0,0,0,0,0,0|2,0,2]=4 48 B7R0.4 O=C(O)CNCCO CNP0333030.0 [0,0,0,0,0,0|3,0,1]=4 49 B6R0.4 C=C(C)CCSC CNP0330891.0 [1,0,0,0,0,0|2,0,1]=4 50 B6R0.4 C=CC=CC(=O)O CNP0076475.0 [1,0,0,0,0,0|1,0,2]=4 51 B6R0.4 C=CCCC(=O)C CNP0610109.0 [1,0,0,0,0,0|0,0,3]=4 52 B6R0.4 C=CCOC(=O)C CNP0175648.0 [1,0,0,0,0,0|1,0,2]=4 53 B6R0.4 C=CCSC(=O)C CNP0301401.0 [1,0,0,0,0,0|1,0,2]=4 54 B6R0.4 CC(=CCC=O)C CNP0094675.0 [1,0,0,0,0,0|2,0,1]=4 55 B6R0.4 CC(=CCCN)C CNP0568876.0 [1,0,0,0,0,0|2,0,0]=3 56 B6R0.4 CC(=CCCO)C CNP0410779.0 [1,0,0,0,0,0|2,0,0]=3 57 B6R0.4 CC(=O)CCC=O CNP0261239.0 [1,0,0,0,0,0|1,0,2]=4 58 B6R0.4 CC(=O)NCCN CNP0182526.0 [1,0,0,0,0,0|2,0,0]=3 59 B6R0.4 CC(=O)NCCO CNP0304709.0 [1,0,0,0,0,0|2,0,0]=3 60 B6R0.4 CC(=O)NCCS CNP0516453.0 [1,0,0,0,0,0|2,0,0]=3 61 B6R0.4 CC(=O)OCCI CNP0274212.0 [1,0,0,0,0,0|2,0,0]=3 62 B6R0.4 CC(=O)OCCN CNP0165405.0 [1,0,0,0,0,0|2,0,0]=3 63 B6R0.4 CC(=O)OCCO CNP0589275.0 [1,0,0,0,0,0|2,0,0]=3 64 B6R0.4 CC=CC=C(C)C CNP0318303.0 [1,0,0,0,0,0|1,0,1]=3 65 B6R0.4 CC=CCC(=O)O CNP0610144.0 [1,0,0,0,0,0|1,0,2]=4 66 B6R0.4 CCC=CC(=O)C CNP0129352.0 [1,0,0,0,0,0|0,0,0]=1 67 B6R0.4 CCC=CC(=O)O CNP0185292.0 [1,0,0,0,0,0|1,0,0]=2 68 B6R0.4 CCCC=C(C)O CNP0268446.0 [1,0,0,0,0,0|0,0,1]=2 69 B6R0.4 CCCCC(=O)C CNP0194685.0 [1,0,0,0,0,0|0,0,1]=2 70 B6R0.4 CCCCC(=O)N CNP0248834.0 [1,0,0,0,0,0|1,0,1]=3 71 B6R0.4 CCCCC(=O)O CNP0144818.0 [1,0,0,0,0,0|1,0,1]=3 72 B6R0.4 CCCCC(C)C CNP0312749.0 [1,0,0,0,0,0|1,0,2]=4 73 B6R0.4 CCCC[11C](=O)O CNP0540258.0 [1,0,0,0,0,0|1,0,1]=3 74 B6R0.4 CCCC[C@@H](C)O CNP0276755.1 [1,0,0,0,0,0|0,0,3]=4 75 B6R0.4 CCCC[C@H](C)O CNP0276755.2 [1,0,0,0,0,0|0,0,3]=4 76 B6R0.4 CCCNC(=O)C CNP0115400.0 [1,0,0,0,0,0|1,0,0]=2 77 B6R0.4 CCCOC(=O)C CNP0274142.0 [1,0,0,0,0,0|1,0,0]=2 78 B6R0.4 CCCSC(=O)C CNP0076500.0 [1,0,0,0,0,0|1,0,0]=2 79 B6R0.4 CCCSC(C)C CNP0228244.0 [1,0,0,0,0,0|2,0,1]=4 80 B6R0.4 CCCSC(C)S CNP0609747.0 [1,0,0,0,0,0|1,1,1]=4 81 B6R0.4 CCCS[S+](C)[O-] CNP0597218.0 [1,0,0,0,0,0|2,0,1]=4 82 B6R0.4 CCNCC(=O)O CNP0076362.0 [1,0,0,0,0,0|2,0,1]=4 83 B6R0.4 CCOCC(=O)N CNP0329352.0 [1,0,0,0,0,0|2,0,1]=4 84 B6R0.4 CCOCC(=O)O CNP0229583.0 [1,0,0,0,0,0|2,0,1]=4 85 B6R0.4 CNCCC(=O)O CNP0502963.0 [1,0,0,0,0,0|2,0,1]=4 86 B6R0.4 COCC=C(C)C CNP0493784.0 [1,0,0,0,0,0|2,0,0]=3 87 B6R0.4 CSC=CC(=O)N CNP0140289.0 [1,0,0,0,0,0|2,0,0]=3 88 B6R0.4 CSC=CC(=O)O CNP0140653.0 [1,0,0,0,0,0|2,0,0]=3 89 B6R0.4 CSCCC(=O)C CNP0353152.0 [1,0,0,0,0,0|1,0,1]=3 90 B6R0.4 CSCCC(=O)N CNP0220146.0 [1,0,0,0,0,0|2,0,1]=4 91 B6R0.4 CSCCC(=O)O CNP0143779.0 [1,0,0,0,0,0|2,0,1]=4 92 B6R0.4 CSCSC(=O)C CNP0232862.0 [1,0,0,0,0,0|2,0,0]=3 93 B6R0.4 C[N+]CCC(=O)[O-] CNP0588104.0 [1,0,0,0,0,0|2,0,1]=4 94 B6R0.4 C[S@+]([O-])/C=C/CO CNP0531356.1 [1,0,0,0,0,0|2,0,1]=4 95 B6R0.4 C[S@@+]([O-])/C=C/CO CNP0531356.2 [1,0,0,0,0,0|2,0,1]=4 96 B6R0.4 C[S@H+]([O-])/C=C/CO CNP0529781.1 [1,0,0,0,0,0|2,0,1]=4 97 B6R0.4 NC(=O)CCCO CNP0573523.0 [1,0,0,0,0,0|2,0,1]=4 98 B6R0.4 NCC=CC(=O)O CNP0250683.0 [1,0,0,0,0,0|2,0,0]=3 99 B6R0.4 NCCCC(=O)O CNP0116256.0 [1,0,0,0,0,0|2,0,1]=4 100 B6R0.4 O=C(O)C=CCO CNP0097506.0 [1,0,0,0,0,0|2,0,0]=3 101 B6R0.4 O=C(O)CCCO CNP0236331.0 [1,0,0,0,0,0|2,0,1]=4 102 B6R0.4 O=C([O-])CCCO CNP0492590.0 [1,0,0,0,0,0|2,0,1]=4 103 B6R0.6 C=CC=CC=CC CNP0610379.0 [1,0,0,0,0,0|0,0,3]=4 104 B6R0.6 C=CC=CCCC CNP0526826.0 [1,0,0,0,0,0|0,0,1]=2 105 B6R0.6 C=CCCC=CC CNP0426808.0 [1,0,0,0,0,0|0,0,3]=4 106 B6R0.6 C=CCCCCC CNP0226691.0 [1,0,0,0,0,0|0,0,3]=4 107 B6R0.6 C=CCSCCC CNP0150756.0 [1,0,0,0,0,0|1,0,2]=4 108 B6R0.6 C=COCCCC CNP0077236.0 [1,0,0,0,0,0|1,0,2]=4 109 B6R0.6 CC#CSC=CC CNP0514607.0 [1,0,0,0,0,0|1,0,2]=4 110 B6R0.6 CC=CC=CC=O CNP0182801.0 [1,0,0,0,0,0|0,0,2]=3 111 B6R0.6 CC=CC=CCC CNP0608489.0 [1,0,0,0,0,0|0,0,1]=2 112 B6R0.6 CC=CC=CCO CNP0292375.0 [1,0,0,0,0,0|1,0,1]=3 113 B6R0.6 CC=CCCC=O CNP0056069.0 [1,0,0,0,0,0|1,0,2]=4 114 B6R0.6 CC=CCCCC CNP0158475.0 [1,0,0,0,0,0|0,0,1]=2 115 B6R0.6 CC=CCCCO CNP0309139.0 [1,0,0,0,0,0|1,0,1]=3 116 B6R0.6 CC=CCSCC CNP0575773.0 [1,0,0,0,0,0|1,0,1]=3 117 B6R0.6 CC=COC=CC CNP0612224.0 [1,0,0,0,0,0|1,0,2]=4 118 B6R0.6 CC=CSC=CC CNP0002507.0 [1,0,0,0,0,0|1,0,2]=4 119 B6R0.6 CC=CSCCC CNP0320861.0 [1,0,0,0,0,0|1,0,0]=2 120 B6R0.6 CC=CSSCC CNP0418756.0 [1,0,0,0,0,0|2,0,0]=3 121 B6R0.6 CC=CSSSC CNP0265306.0 [1,0,0,0,0,0|3,0,0]=4 122 B6R0.6 CCC=C=CC=O CNP0611366.0 [1,0,0,0,0,0|0,0,2]=3 123 B6R0.6 CCC=C=CCC CNP0518397.0 [1,0,0,0,0,0|0,0,3]=4 124 B6R0.6 CCC=CCC#N CNP0106706.0 [1,0,0,0,0,0|1,0,2]=4 125 B6R0.6 CCC=CCC=O CNP0227189.0 [1,0,0,0,0,0|0,0,2]=3 126 B6R0.6 CCC=CCCC CNP0391454.0 [1,0,0,0,0,0|0,0,1]=2 127 B6R0.6 CCC=CCCO CNP0255718.0 [1,0,0,0,0,0|1,0,1]=3 128 B6R0.6 CCCC=CC=O CNP0263913.0 [1,0,0,0,0,0|0,0,0]=1 129 B6R0.6 CCCC=CCO CNP0254124.0 [1,0,0,0,0,0|0,0,2]=3 130 B6R0.6 CCCC=CNO CNP0162409.0 [1,0,0,0,0,0|1,0,1]=3 131 B6R0.6 CCCCC=CO CNP0511187.0 [1,0,0,0,0,0|0,0,2]=3 132 B6R0.6 CCCCC=NO CNP0149695.0 [1,0,0,0,0,0|1,0,2]=4 133 B6R0.6 CCCCCC=O CNP0304790.0 [1,0,0,0,0,0|0,0,2]=3 134 B6R0.6 CCCCCCC CNP0290800.0 [1,0,0,0,0,0|0,0,3]=4 135 B6R0.6 CCCCCNC CNP0276164.0 [1,0,0,0,0,0|1,0,2]=4 136 B6R0.6 CCCCCOC CNP0358174.0 [1,0,0,0,0,0|1,0,2]=4 137 B6R0.6 CCCCCSC CNP0293012.0 [1,0,0,0,0,0|1,0,2]=4 138 B6R0.6 CCCCNC=O CNP0082472.0 [1,0,0,0,0,0|1,0,1]=3 139 B6R0.6 CCCCOC=O CNP0282325.0 [1,0,0,0,0,0|1,0,1]=3 140 B6R0.6 CCCCON=O CNP0003508.0 [1,0,0,0,0,0|2,0,1]=4 141 B6R0.6 CCCCSSC CNP0532819.0 [1,0,0,0,0,0|2,0,1]=4 142 B6R0.6 CCCNCCC CNP0129820.0 [1,0,0,0,0,0|1,0,2]=4 143 B6R0.6 CCCSCCC CNP0173387.0 [1,0,0,0,0,0|1,0,2]=4 144 B6R0.6 CCCSSCC CNP0322971.0 [1,0,0,0,0,0|2,0,1]=4 145 B6R0.6 CCCSSSC CNP0104471.0 [1,0,0,0,0,0|3,0,0]=4 146 B6R0.6 CSCCCC=O CNP0002814.0 [1,0,0,0,0,0|1,0,2]=4 147 B6R0.6 NCCCCC=O CNP0083786.0 [1,0,0,0,0,0|1,0,2]=4 148 B8R0.5 C=C(C)CC(C)CCC CNP0397067.0 [0,1,0,0,0,0|1,0,2]=4 149 B8R0.5 CC(=CC(=O)O)CCO CNP0227201.0 [0,1,0,0,0,0|2,0,0]=3 150 B8R0.5 CCCC(=CC(=O)C)C CNP0608479.0 [0,1,0,0,0,0|0,0,0]=1 151 B8R0.5 CCCC(=CC(=O)O)C CNP0329572.0 [0,1,0,0,0,0|1,0,0]=2 152 B8R0.5 CCCC(=O)C=C(C)C CNP0207293.0 [0,1,0,0,0,0|1,0,0]=2 153 B8R0.5 CCCC(=O)CC(=O)C CNP0351307.0 [0,1,0,0,0,0|0,0,1]=2 154 B8R0.5 CCCC(=O)CC(=O)O CNP0037462.0 [0,1,0,0,0,0|1,0,1]=3 155 B8R0.5 CCCC(=O)CC(C)C CNP0504556.0 [0,1,0,0,0,0|1,0,2]=4 156 B8R0.5 CCCC(=O)OC(C)C CNP0194975.0 [0,1,0,0,0,0|2,0,1]=4 157 B8R0.5 CCCC(C)CC(=O)C CNP0612236.0 [0,1,0,0,0,0|0,0,2]=3 158 B8R0.5 CCC[C@@H](O)CC(=O)O CNP0065850.1 [0,1,0,0,0,0|1,0,2]=4 159 B8R0.5 CCC[C@H](C)CC(=O)O CNP0320012.1 [0,1,0,0,0,0|1,0,2]=4 160 B8R0.5 CCC[C@H](C)OC(=O)C CNP0140745.1 [0,1,0,0,0,0|1,0,1]=3 161 B8R0.5 CCC[C@H](O)CC(=O)O CNP0065850.2 [0,1,0,0,0,0|1,0,2]=4 162 B8R0.5 CCOC(=O)C=C(Br)Br CNP0238604.0 [0,1,0,0,0,0|3,0,0]=4 163 B8R0.5 CCOC(=O)C=C(C)C CNP0502082.0 [0,1,0,0,0,0|2,0,0]=3 164 B8R0.5 CCOC(=O)C=C(Cl)Cl CNP0166336.0 [0,1,0,0,0,0|3,0,0]=4 165 B8R0.5 CCOC(=O)CC(=O)C CNP0003525.0 [0,1,0,0,0,0|1,0,1]=3 166 B8R0.5 CCOC(=O)CC(=O)N CNP0369111.0 [0,1,0,0,0,0|2,0,1]=4 167 B8R0.5 CCOC(=O)CC(=O)O CNP0380624.0 [0,1,0,0,0,0|2,0,1]=4 168 B8R0.5 CCOC(=O)NC(=O)N CNP0241486.0 [0,1,0,0,0,0|3,0,0]=4 169 B8R0.5 COCC(C)OC(=O)C CNP0077230.0 [0,1,0,0,0,0|2,0,1]=4 170 B8R0.6 C=CC(=O)CC=CCC CNP0046682.0 [0,1,0,0,0,0|0,0,3]=4 171 B8R0.6 C=CC(=O)CCCCC CNP0297364.0 [0,1,0,0,0,0|0,0,3]=4 172 B8R0.6 C=CC(=O)OCCCC CNP0191898.0 [0,1,0,0,0,0|1,0,2]=4 173 B8R0.6 C=C[C@@H](O)/C=C/CCC CNP0182495.1 [0,1,0,0,0,0|0,0,3]=4 174 B8R0.6 CC=C(O)CCCCC CNP0174345.0 [0,1,0,0,0,0|0,0,3]=4 175 B8R0.6 CC=CC=CC(=O)OC CNP0320063.0 [0,1,0,0,0,0|0,0,2]=3 176 B8R0.6 CCC=CCC(=O)OC CNP0261842.0 [0,1,0,0,0,0|0,0,2]=3 177 B8R0.6 CCCC=CC(=O)CC CNP0017905.0 [0,1,0,0,0,0|0,0,0]=1 178 B8R0.6 CCCC=CC(=O)OC CNP0385542.0 [0,1,0,0,0,0|0,0,0]=1 179 B8R0.6 CCCCC=C(C)C=O CNP0586407.0 [0,1,0,0,0,0|0,0,1]=2 180 B8R0.6 CCCCCC(=NO)C CNP0241223.0 [0,1,0,0,0,0|0,0,3]=4 181 B8R0.6 CCCCCC(=O)CC CNP0381627.0 [0,1,0,0,0,0|0,0,2]=3 182 B8R0.6 CCCCCC(=O)CO CNP0546319.0 [0,1,0,0,0,0|0,0,2]=3 183 B8R0.6 CCCCCC(=O)OC CNP0192346.0 [0,1,0,0,0,0|0,0,2]=3 184 B8R0.6 CCCCCC(=O)SC CNP0018085.0 [0,1,0,0,0,0|0,0,2]=3 185 B8R0.6 CCCCOC(=O)CC CNP0139208.0 [0,1,0,0,0,0|1,0,1]=3 186 B8R0.6 CCNC=CC(=O)OC CNP0034693.0 [0,1,0,0,0,0|1,0,0]=2 187 B8R0.6 CCOC=CC(=O)C=O CNP0344823.0 [0,1,0,0,0,0|1,0,1]=3 188 B8R0.6 COC(=O)CCCSC CNP0313998.0 [0,1,0,0,0,0|1,0,2]=4 189 B8R0.6 COCCCC(=O)OC CNP0580088.0 [0,1,0,0,0,0|1,0,2]=4 190 B8R0.7 C=CCCC=CC(=O)C CNP0360839.0 [0,1,0,0,0,0|0,0,1]=2 191 B8R0.7 C=CCCCCC(=O)C CNP0179576.0 [0,1,0,0,0,0|0,0,3]=4 192 B8R0.7 C=CCCCOC(=O)C CNP0186159.0 [0,1,0,0,0,0|1,0,2]=4 193 B8R0.7 CC(=CCCCC=O)C CNP0514464.0 [0,1,0,0,0,0|1,0,2]=4 194 B8R0.7 CC(=O)NCCCC=O CNP0083670.0 [0,1,0,0,0,0|1,0,2]=4 195 B8R0.7 CC(=O)NCCCCN CNP0279373.0 [0,1,0,0,0,0|1,0,1]=3 196 B8R0.7 CC/C=C/C=C/[C@H](C)O CNP0374184.1 [0,1,0,0,0,0|0,0,3]=4 197 B8R0.7 CC=CC=CC=C(C)C CNP0533227.0 [0,1,0,0,0,0|1,0,2]=4 198 B8R0.7 CC=CCC=CC(=O)C CNP0611711.0 [0,1,0,0,0,0|0,0,1]=2 199 B8R0.7 CC=CCCCC(=O)C CNP0074972.0 [0,1,0,0,0,0|0,0,3]=4 200 B8R0.7 CCC=CC=CC(=O)C CNP0389633.0 [0,1,0,0,0,0|0,0,1]=2 201 B8R0.7 CCC=CC=CC(=O)O CNP0376269.0 [0,1,0,0,0,0|1,0,1]=3 202 B8R0.7 CCC=CCCC(=O)C CNP0225225.0 [0,1,0,0,0,0|0,0,2]=3 203 B8R0.7 CCC=CCCC(=O)Cl CNP0194264.0 [0,1,0,0,0,0|1,0,2]=4 204 B8R0.7 CCC=CCCC(=O)O CNP0132792.0 [0,1,0,0,0,0|1,0,2]=4 205 B8R0.7 CCCCC=CC(=O)C CNP0125606.0 [0,1,0,0,0,0|0,0,0]=1 206 B8R0.7 CCCCC=CC(=O)O CNP0199006.0 [0,1,0,0,0,0|1,0,0]=2 207 B8R0.7 CCCCC=CC(C)O CNP0003219.0 [0,1,0,0,0,0|0,0,2]=3 208 B8R0.7 CCCCCC=C(C)C CNP0153071.0 [0,1,0,0,0,0|1,0,1]=3 209 B8R0.7 CCCCCC=C(C)O CNP0546798.0 [0,1,0,0,0,0|0,0,2]=3 210 B8R0.7 CCCCCCC(=O)C CNP0325160.0 [0,1,0,0,0,0|0,0,2]=3 211 B8R0.7 CCCCCCC(=O)Cl CNP0211048.0 [0,1,0,0,0,0|1,0,2]=4 212 B8R0.7 CCCCCCC(=O)N CNP0248097.0 [0,1,0,0,0,0|1,0,2]=4 213 B8R0.7 CCCCCCC(=O)O CNP0141686.0 [0,1,0,0,0,0|1,0,2]=4 214 B8R0.7 CCCCCOC(=O)C CNP0227990.0 [0,1,0,0,0,0|0,0,2]=3 215 B8R0.7 CCCCOCC(=O)O CNP0524848.0 [0,1,0,0,0,0|1,0,2]=4 216 B8R0.7 CCCOCCC(=O)C CNP0376956.0 [0,1,0,0,0,0|0,0,2]=3 217 B8R0.7 CCOCC=CC(C)C CNP0076367.0 [0,1,0,0,0,0|1,0,1]=3 218 B8R0.7 COCCCOC(=O)C CNP0076800.0 [0,1,0,0,0,0|1,0,1]=3 219 B8R0.7 CSCCCOC(=O)C CNP0179840.0 [0,1,0,0,0,0|1,0,1]=3 220 B8R0.7 C[S@+]([O-])/C=C/CCC#N CNP0547221.1 [0,1,0,0,0,0|1,0,2]=4 221 B8R0.7 C[S@H+]([O-])/C=C/CCC#N CNP0521375.1 [0,1,0,0,0,0|1,0,2]=4 222 B8R0.7 NCCCCCC(=O)O CNP0337210.0 [0,1,0,0,0,0|1,0,2]=4 223 B8R0.7 NCCCCNC(=O)N CNP0414848.0 [0,1,0,0,0,0|2,0,1]=4 224 B8R0.7 O=C(O)CCCCCO CNP0079830.0 [0,1,0,0,0,0|1,0,2]=4 225 B8R0.8 C=C(C)C(=O)OCCO CNP0083392.0 [0,1,0,0,0,0|3,0,0]=4 226 B8R0.8 CC(=O)N(O)CCCN CNP0598516.0 [0,1,0,0,0,0|2,0,1]=4 227 B8R0.8 CC=CC=C(C)C(=O)O CNP0232532.0 [0,1,0,0,0,0|1,0,2]=4 228 B8R0.8 CCCC=C(C)C(=O)C CNP0077419.0 [0,1,0,0,0,0|0,0,0]=1 229 B8R0.8 CCCC=C(C)C(=O)O CNP0589734.0 [0,1,0,0,0,0|1,0,0]=2 230 B8R0.8 CCCCC(=O)C(=O)C CNP0125705.0 [0,1,0,0,0,0|0,0,1]=2 231 B8R0.8 CCCCC(=O)C(=O)O CNP0301313.0 [0,1,0,0,0,0|1,0,1]=3 232 B8R0.8 CCCCC(=O)C(C)C CNP0611681.0 [0,1,0,0,0,0|1,0,2]=4 233 B8R0.8 CCCCC(=O)C(C)O CNP0255331.0 [0,1,0,0,0,0|0,0,3]=4 234 B8R0.8 CCCCC(=O)[C@H](C)O CNP0255331.1 [0,1,0,0,0,0|0,0,3]=4 235 B8R0.8 CCCC[C@@H](C)C(=O)O CNP0131779.1 [0,1,0,0,0,0|1,0,2]=4 236 B8R0.8 CCCC[C@@H](N)C(=O)O CNP0177876.2 [0,1,0,0,0,0|1,0,2]=4 237 B8R0.8 CCCC[C@H](Br)C(=O)Br CNP0017823.1 [0,1,0,0,0,0|1,0,2]=4 238 B8R0.8 CCCC[C@H](Br)C(=O)O CNP0017777.1 [0,1,0,0,0,0|1,0,2]=4 239 B8R0.8 CCCC[C@H](N)C(=O)O CNP0177876.1 [0,1,0,0,0,0|1,0,2]=4 240 B8R0.8 CCCC[C@H](O)C(=O)O CNP0296365.1 [0,1,0,0,0,0|1,0,2]=4 241 B8R0.8 CCCOC(=O)C(C)C CNP0084342.0 [0,1,0,0,0,0|2,0,1]=4 242 B8R0.8 CSCCC(=O)C(=O)C CNP0269009.0 [0,1,0,0,0,0|1,0,1]=3 243 B8R0.8 CSCCC(=O)C(=O)O CNP0135111.0 [0,1,0,0,0,0|2,0,1]=4 244 B8R0.8 NCCCC(=O)C(=O)O CNP0082812.0 [0,1,0,0,0,0|2,0,1]=4 245 B8R0.8 NCCNC(=O)C(=O)N CNP0471629.0 [0,1,0,0,0,0|3,0,0]=4 246 B8R0.9 CC(=O)C=CC(=O)CO CNP0106535.0 [0,1,0,0,0,0|1,0,1]=3 247 B8R0.9 CC(=O)OC[C@@H](O)CO CNP0178275.2 [0,1,0,0,0,0|2,0,1]=4 248 B8R0.9 CC(=O)OC[C@H](O)CO CNP0178275.1 [0,1,0,0,0,0|2,0,1]=4 249 B8R0.9 CCC(=O)C=CC(=O)C CNP0247275.0 [0,1,0,0,0,0|0,0,1]=2 250 B8R0.9 CCC(=O)CC=C(C)C CNP0559660.0 [0,1,0,0,0,0|1,0,2]=4 251 B8R0.9 CCC(=O)CCC(=O)C CNP0351129.0 [0,1,0,0,0,0|0,0,3]=4 252 B8R0.9 CCC(=O)COC(=O)C CNP0146309.0 [0,1,0,0,0,0|1,0,2]=4 253 B8R0.9 CCC(C)C=CC(=O)C CNP0546315.0 [0,1,0,0,0,0|0,0,0]=1 254 B8R0.9 CCC(C)CCC(=O)C CNP0351126.0 [0,1,0,0,0,0|0,0,2]=3 255 B8R0.9 CCC(O)C=CC(=O)O CNP0352408.0 [0,1,0,0,0,0|1,0,0]=2 256 B8R0.9 CC[C@@H](C)/C=C/C(=O)O CNP0190272.2 [0,1,0,0,0,0|1,0,0]=2 257 B8R0.9 CC[C@@H](C)COC(=O)C CNP0147650.2 [0,1,0,0,0,0|1,0,1]=3 258 B8R0.9 CC[C@@H](N)CCC(=O)O CNP0584054.1 [0,1,0,0,0,0|1,0,2]=4 259 B8R0.9 CC[C@@H](O)C=CC(=O)O CNP0352408.1 [0,1,0,0,0,0|1,0,0]=2 260 B8R0.9 CC[C@H](C)/C=C/C(=O)O CNP0190272.1 [0,1,0,0,0,0|1,0,0]=2 261 B8R0.9 CC[C@H](C)CCC(=O)O CNP0326615.1 [0,1,0,0,0,0|1,0,2]=4 262 B8R0.9 CC[C@H](C)COC(=O)C CNP0147650.1 [0,1,0,0,0,0|1,0,1]=3 263 B8R0.9 COC(=O)C=CC(=O)N CNP0302670.0 [0,1,0,0,0,0|2,0,1]=4 264 B8R0.9 COC(=O)C=CC(=O)O CNP0273242.0 [0,1,0,0,0,0|2,0,1]=4 265 B8R0.21 CCCCOS(=O)(=O)C CNP0083521.0 [0,1,0,0,0,0|2,0,1]=4 266 B8R0.21 CCCCO[As](=O)(C)C CNP0018326.0 [0,1,0,0,0,0|2,0,1]=4 267 B8R0.28 C=C(C)C=CCC(=C)C CNP0611898.0 [0,1,0,0,0,0|1,0,1]=3 268 B8R0.28 C=C(C)CCC=C(C)C CNP0075848.0 [0,1,0,0,0,0|1,0,2]=4 269 B8R0.28 C=C(C)CCCC(=O)C CNP0188769.0 [0,1,0,0,0,0|0,0,3]=4 270 B8R0.28 C=C(C)CCC[C@H](C)O CNP0136592.1 [0,1,0,0,0,0|1,0,2]=4 271 B8R0.28 C=C(C)CCOC(=O)C CNP0331473.0 [0,1,0,0,0,0|1,0,2]=4 272 B8R0.28 CC(=CC=CC(C)C)C CNP0313251.0 [0,1,0,0,0,0|1,0,1]=3 273 B8R0.28 CC(=CCC[C@@H](C)O)C CNP0250398.2 [0,1,0,0,0,0|1,0,1]=3 274 B8R0.28 CC(=CCC[C@H](C)O)C CNP0250398.1 [0,1,0,0,0,0|1,0,1]=3 275 B8R0.28 CC(=O)C=CC=C(C)C CNP0275973.0 [0,1,0,0,0,0|0,0,2]=3 276 B8R0.28 CC(=O)C=CCC(C)C CNP0400137.0 [0,1,0,0,0,0|0,0,0]=1 277 B8R0.28 CC(=O)CCC=C(C)C CNP0330890.0 [0,1,0,0,0,0|1,0,2]=4 278 B8R0.28 CC(=O)CCCC(=O)C CNP0084433.0 [0,1,0,0,0,0|0,0,3]=4 279 B8R0.28 CC(=O)CCCC(C)C CNP0354382.0 [0,1,0,0,0,0|0,0,2]=3 280 B8R0.28 CC(=O)CCOC(=O)C CNP0480131.0 [0,1,0,0,0,0|1,0,2]=4 281 B8R0.28 CC(=O)NCCC(C)C CNP0189958.0 [0,1,0,0,0,0|1,0,1]=3 282 B8R0.28 CC(=O)OCCC(C)C CNP0303079.0 [0,1,0,0,0,0|1,0,1]=3 283 B8R0.28 CC(=O)OCCC(C)S CNP0003245.0 [0,1,0,0,0,0|1,0,1]=3 284 B8R0.28 CC(=S)OCCC(C)C CNP0547891.0 [0,1,0,0,0,0|1,1,1]=4 285 B8R0.28 CC(C)C=CCC(=O)O CNP0441019.0 [0,1,0,0,0,0|1,0,2]=4 286 B8R0.28 CC(C)CCCC(=O)N CNP0540876.0 [0,1,0,0,0,0|1,0,2]=4 287 B8R0.28 CC(C)CCCC(=O)O CNP0255582.0 [0,1,0,0,0,0|1,0,2]=4 288 B8R0.28 CC(C)CCCC(=O)S CNP0536483.0 [0,1,0,0,0,0|1,0,2]=4 289 B8R0.28 CC(O)CC=CC(=O)O CNP0482180.0 [0,1,0,0,0,0|1,0,0]=2 290 B8R0.28 C[C@@H](O)CCCC(=O)O CNP0082052.1 [0,1,0,0,0,0|1,0,2]=4 291 B8R0.28 O=C(O)C=CCC(=O)O CNP0111503.0 [0,1,0,0,0,0|2,0,1]=4 292 B8R1.1 CC1=CC=C(O1)CO CNP0526210.0 [0,0,0,1,0,0|1,0,2]=4 293 B8R1.1 CC1=CC=C(O1)CS CNP0002606.0 [0,0,0,1,0,0|1,0,2]=4 294 B8R1.1 CC=C1C=CC(=O)O1 CNP0289286.0 [0,0,0,1,0,0|1,0,2]=4 295 B8R1.1 CCC1=CC=C(O1)C CNP0251701.0 [0,0,0,1,0,0|0,0,2]=3 296 B8R1.1 CCC1=CC=C(S1)C CNP0003636.0 [0,0,0,1,0,0|0,1,1]=3 297 B8R1.1 CCC1=CCC(=O)O1 CNP0001516.0 [0,0,0,1,0,0|1,0,2]=4 298 B8R1.1 CCC1=CN=C(O1)C CNP0152176.0 [0,0,0,1,0,0|1,0,2]=4 299 B8R1.1 CCC1=CN=C(S1)C CNP0292618.0 [0,0,0,1,0,0|1,1,1]=4 300 B8R1.1 CCC1=COC(=N1)C CNP0278246.0 [0,0,0,1,0,0|2,0,1]=4 301 B8R1.1 CCC1=CSC(=N1)C CNP0003637.0 [0,0,0,1,0,0|2,0,1]=4 302 B8R1.1 CCC1=NC(=CN1)C CNP0602614.0 [0,0,0,1,0,0|2,0,1]=4 303 B8R1.1 CCC1=NC(=CO1)C CNP0181299.0 [0,0,0,1,0,0|2,0,1]=4 304 B8R1.1 CCC1=NC(=CS1)C CNP0003638.0 [0,0,0,1,0,0|2,0,1]=4 305 B8R1.1 CCC1=NC=C(O1)C CNP0010332.0 [0,0,0,1,0,0|1,0,2]=4 306 B8R1.1 CCC1N=CC(S1)C CNP0612180.0 [0,0,0,1,0,0|1,1,1]=4 307 B8R1.1 CC[C@@H]1C=CC(=O)O1 CNP0332158.1 [0,0,0,1,0,0|1,0,0]=2 308 B8R1.1 CC[C@@H]1CCC(=O)O1 CNP0276218.2 [0,0,0,1,0,0|1,0,2]=4 309 B8R1.1 CC[C@H]1CCC(=O)O1 CNP0276218.1 [0,0,0,1,0,0|1,0,2]=4 310 B8R1.1 CC[C@H]1COC(=O)C1 CNP0207946.1 [0,0,0,1,0,0|1,0,1]=3 311 B8R1.1 COC1C=CC(=O)C1 CNP0529998.0 [0,0,0,1,0,0|1,0,0]=2 312 B8R1.1 CO[C@@H]1COC(=O)C1 CNP0018508.1 [0,0,0,1,0,0|2,0,1]=4 313 B8R1.1 CSC1=CC=C(O1)C CNP0304917.0 [0,0,0,1,0,0|1,0,2]=4 314 B8R1.1 CSC1=CC=C(S1)C CNP0231852.0 [0,0,0,1,0,0|1,1,1]=4 315 B8R1.1 O=C1C=C[C@H](O1)CO CNP0279402.1 [0,0,0,1,0,0|2,0,0]=3 316 B8R1.1 O=C1CC[C@@H](C1)CO CNP0540442.1 [0,0,0,1,0,0|1,0,2]=4 317 B8R1.4 CC1=CC(=O)C=CN1 CNP0513735.0 [0,0,0,1,0,0|1,0,2]=4 318 B8R1.4 CC1=CC(=O)C=CO1 CNP0179458.0 [0,0,0,1,0,0|1,0,2]=4 319 B8R1.4 CC1=CC(CCC1)C CNP0085833.0 [0,0,0,1,0,0|1,0,2]=4 320 B8R1.4 CC1=CC=CC(=C1)C CNP0152592.0 [0,0,0,1,0,0|1,0,2]=4 321 B8R1.4 CC1=CC=CC(=N1)C CNP0246832.0 [0,0,0,1,0,0|1,0,2]=4 322 B8R1.4 CC1=CC=NC(=C1)C CNP0143367.0 [0,0,0,1,0,0|2,0,1]=4 323 B8R1.4 CC1=CCCC(=C1)C CNP0118398.0 [0,0,0,1,0,0|1,0,2]=4 324 B8R1.4 CC1=CCCC(C1)O CNP0351530.0 [0,0,0,1,0,0|2,0,1]=4 325 B8R1.4 CC1=CCC[C@H](O1)C CNP0262118.1 [0,0,0,1,0,0|0,0,2]=3 326 B8R1.4 CC1CC=CC(=O)C1 CNP0522143.0 [0,0,0,1,0,0|0,0,0]=1 327 B8R1.4 CC1CCOC(=O)C1 CNP0282964.0 [0,0,0,1,0,0|1,0,1]=3 328 B8R1.4 C[C@@H]1CC=CC(=O)O1 CNP0386711.2 [0,0,0,1,0,0|1,0,0]=2 329 B8R1.4 C[C@@H]1CCCC(=O)C1 CNP0243495.2 [0,0,0,1,0,0|0,0,2]=3 330 B8R1.4 C[C@@H]1CCCC(=O)O1 CNP0340427.1 [0,0,0,1,0,0|1,0,2]=4 331 B8R1.4 C[C@H]1CC=CC(=O)O1 CNP0386711.1 [0,0,0,1,0,0|1,0,0]=2 332 B8R1.4 C[C@H]1CCCC(=O)C1 CNP0243495.1 [0,0,0,1,0,0|0,0,2]=3 333 B8R1.4 C[C@H]1CCCC(=O)O1 CNP0340427.2 [0,0,0,1,0,0|1,0,2]=4 334 B8R1.7 CC(=O)C1=CC=CN1 CNP0200282.0 [0,0,0,1,0,0|1,0,2]=4 335 B8R1.7 CC(=O)C1=CC=CO1 CNP0350272.0 [0,0,0,1,0,0|1,0,2]=4 336 B8R1.7 CC(=O)C1=CC=CS1 CNP0328607.0 [0,0,0,1,0,0|1,0,2]=4 337 B8R1.7 CC(=O)C1=CSC=C1 CNP0011841.0 [0,0,0,1,0,0|1,0,2]=4 338 B8R1.7 CC(=O)C1=NCCC1 CNP0003511.0 [0,0,0,1,0,0|1,0,0]=2 339 B8R1.7 CC(=O)C1=NCCS1 CNP0314026.0 [0,0,0,1,0,0|2,0,0]=3 340 B8R1.7 CC(=O)C1CCCN1 CNP0077115.0 [0,0,0,1,0,0|1,0,1]=3 341 B8R1.7 CC(=O)C1CCSS1 CNP0238288.0 [0,0,0,1,0,0|2,0,1]=4 342 B8R1.7 CC(=O)N1C=CCC1 CNP0356664.0 [0,0,0,1,0,0|1,0,1]=3 343 B8R1.7 NC(=O)N1CCCC1 CNP0254929.0 [0,0,0,1,0,0|2,0,1]=4 344 B8R1.7 NC(=O)[C@@H]1CCCN1 CNP0120914.1 [0,0,0,1,0,0|2,0,1]=4 345 B8R1.7 O=C(O)C1=NCCC1 CNP0021263.0 [0,0,0,1,0,0|2,0,0]=3 346 B8R1.7 O=C(O)C1CCCC1 CNP0135626.0 [0,0,0,1,0,0|1,0,2]=4 347 B8R1.7 O=C(O)C1CCCS1 CNP0033094.0 [0,0,0,1,0,0|2,0,1]=4 348 B8R1.7 O=C(O)[C@@H]1C=CCC1 CNP0310576.1 [0,0,0,1,0,0|1,0,2]=4 349 B8R1.7 O=C(O)[C@@H]1CCCN1 CNP0219104.1 [0,0,0,1,0,0|2,0,1]=4 350 B8R1.7 O=C(O)[C@H]1CCCN1 CNP0219104.2 [0,0,0,1,0,0|2,0,1]=4 351 B8R1.7 O=C(O)[C@H]1CCCO1 CNP0573832.1 [0,0,0,1,0,0|2,0,1]=4 352 B8R1.22 NC1=NCCCCC1 CNP0446960.0 [0,0,0,1,0,0|2,0,1]=4 353 B8R1.22 NC1=[NH+]CCCCC1 CNP0594018.0 [0,0,0,1,0,0|2,0,1]=4 354 B8R1.22 O=C1CC=CCCC1 CNP0354385.0 [0,0,0,1,0,0|0,0,2]=3 355 B8R1.22 O=C1CCCCCC1 CNP0486939.0 [0,0,0,1,0,0|0,0,2]=3 356 B8R1.22 O=C1CCCCCN1 CNP0157959.0 [0,0,0,1,0,0|1,0,1]=3 357 B8R1.22 O=C1CCCCCO1 CNP0358428.0 [0,0,0,1,0,0|1,0,1]=3 358 B8R1.22 O=C1NCCCCN1 CNP0433632.0 [0,0,0,1,0,0|2,0,1]=4 359 B8R1.22 OC1=NCCCCC1 CNP0523769.0 [0,0,0,1,0,0|1,0,2]=4 360 B8R1.43 CCC1OC1C(=O)C CNP0555842.0 [0,0,0,1,0,0|1,0,1]=3 361 B8R1.72 C[C@@]1(C=CCCC1)O CNP0241347.2 [0,0,0,1,0,0|0,0,2]=3 362 B8R1.72 C[C@]1(C=CCCC1)O CNP0241347.1 [0,0,0,1,0,0|0,0,2]=3 363 B5R0.1 C=C(C)C=CC CNP0348667.0 [2,0,0,0,0,0|1,0,0]=3 364 B5R0.1 C=C(C)CCC CNP0179329.0 [2,0,0,0,0,0|1,0,0]=3 365 B5R0.1 C=C(C)CCO CNP0285127.0 [2,0,0,0,0,0|2,0,0]=4 366 B5R0.1 C=C(O)CCC CNP0003382.0 [2,0,0,0,0,0|0,0,2]=4 367 B5R0.1 C=CC=C(C)C CNP0130651.0 [2,0,0,0,0,0|1,0,1]=4 368 B5R0.1 C=CCC(=O)C CNP0385825.0 [2,0,0,0,0,0|0,0,2]=4 369 B5R0.1 C=COC(=O)C CNP0003526.0 [2,0,0,0,0,0|1,0,1]=4 370 B5R0.1 CC(=CC=O)C CNP0325416.0 [2,0,0,0,0,0|2,0,0]=4 371 B5R0.1 CC(=CCO)C CNP0241702.0 [2,0,0,0,0,0|2,0,0]=4 372 B5R0.1 CC(=CCS)C CNP0262600.0 [2,0,0,0,0,0|2,0,0]=4 373 B5R0.1 CC(=O)C=NO CNP0397193.0 [2,0,0,0,0,0|2,0,0]=4 374 B5R0.1 CC(=O)CCO CNP0251527.0 [2,0,0,0,0,0|1,0,0]=3 375 B5R0.1 CC(=O)CCS CNP0404753.0 [2,0,0,0,0,0|1,0,0]=3 376 B5R0.1 CC(=O)OCS CNP0547679.0 [2,0,0,0,0,0|2,0,0]=4 377 B5R0.1 CC=CC(=N)S CNP0609462.0 [2,0,0,0,0,0|1,1,0]=4 378 B5R0.1 CC=CC(=O)C CNP0158055.0 [2,0,0,0,0,0|0,0,0]=2 379 B5R0.1 CC=CC(=O)Cl CNP0018733.0 [2,0,0,0,0,0|1,0,0]=3 380 B5R0.1 CC=CC(=O)N CNP0376163.0 [2,0,0,0,0,0|1,0,0]=3 381 B5R0.1 CC=CC(=O)O CNP0379669.0 [2,0,0,0,0,0|1,0,0]=3 382 B5R0.1 CC=CC(=O)S CNP0128183.0 [2,0,0,0,0,0|1,0,0]=3 383 B5R0.1 CC=CC(=S)N CNP0219494.0 [2,0,0,0,0,0|1,1,0]=4 384 B5R0.1 CC=CC(C)C CNP0513218.0 [2,0,0,0,0,0|1,0,1]=4 385 B5R0.1 CC=CC(C)O CNP0150168.0 [2,0,0,0,0,0|0,0,2]=4 386 B5R0.1 CCC=C(C)C CNP0331653.0 [2,0,0,0,0,0|1,0,0]=3 387 B5R0.1 CCC=C(C)O CNP0225775.0 [2,0,0,0,0,0|0,0,1]=3 388 B5R0.1 CCCC(=O)C CNP0169448.0 [2,0,0,0,0,0|0,0,0]=2 389 B5R0.1 CCCC(=O)N CNP0115101.0 [2,0,0,0,0,0|1,0,0]=3 390 B5R0.1 CCCC(=O)O CNP0259447.0 [2,0,0,0,0,0|1,0,0]=3 391 B5R0.1 CCCC(=O)[O-] CNP0521413.0 [2,0,0,0,0,0|1,0,0]=3 392 B5R0.1 CCCC(C)C CNP0319065.0 [2,0,0,0,0,0|1,0,1]=4 393 B5R0.1 CCCC(C)S CNP0029638.0 [2,0,0,0,0,0|0,1,1]=4 394 B5R0.1 CCC[C@@H](C)O CNP0287976.1 [2,0,0,0,0,0|0,0,2]=4 395 B5R0.1 CCC[C@H](C)O CNP0287976.2 [2,0,0,0,0,0|0,0,2]=4 396 B5R0.1 CCNC(=O)C CNP0260078.0 [2,0,0,0,0,0|1,0,0]=3 397 B5R0.1 CCOC(=O)C CNP0322418.0 [2,0,0,0,0,0|1,0,0]=3 398 B5R0.1 CCOC(=O)N CNP0336700.0 [2,0,0,0,0,0|2,0,0]=4 399 B5R0.1 CCOC(=O)O CNP0166515.0 [2,0,0,0,0,0|2,0,0]=4 400 B5R0.1 CCO[13C](=O)C CNP0577601.0 [2,0,0,0,0,0|1,0,0]=3 401 B5R0.1 CCSC(=O)C CNP0274861.0 [2,0,0,0,0,0|1,0,0]=3 402 B5R0.1 CNCC(=O)O CNP0307073.0 [2,0,0,0,0,0|2,0,0]=4 403 B5R0.1 CNCC(=O)O CNP0563704.0 [2,0,0,0,0,0|2,0,0]=4 404 B5R0.1 CNCC(=O)[O-] CNP0565920.0 [2,0,0,0,0,0|2,0,0]=4 405 B5R0.1 COCC(=O)C CNP0581024.0 [2,0,0,0,0,0|1,0,0]=3 406 B5R0.1 COCC(=O)O CNP0343219.0 [2,0,0,0,0,0|2,0,0]=4 407 B5R0.1 CSCC(=O)C CNP0002513.0 [2,0,0,0,0,0|1,0,0]=3 408 B5R0.1 CSCC(=O)O CNP0447839.0 [2,0,0,0,0,0|2,0,0]=4 409 B5R0.1 C[Se]CC(=O)O CNP0526449.0 [2,0,0,0,0,0|2,0,0]=4 410 B5R0.1 C[Te]CC(=O)O CNP0537189.0 [2,0,0,0,0,0|2,0,0]=4 411 B5R0.1 NC(=O)C=CI CNP0204270.0 [2,0,0,0,0,0|2,0,0]=4 412 B5R0.1 NCCC(=O)O CNP0226336.0 [2,0,0,0,0,0|2,0,0]=4 413 B5R0.1 O=C(O)C=CBr CNP0310992.0 [2,0,0,0,0,0|2,0,0]=4 414 B5R0.1 O=C(O)C=CCl CNP0293481.0 [2,0,0,0,0,0|2,0,0]=4 415 B5R0.1 O=C(O)C=CI CNP0239582.0 [2,0,0,0,0,0|2,0,0]=4 416 B5R0.1 O=C(O)CCO CNP0228379.0 [2,0,0,0,0,0|2,0,0]=4 417 B5R0.1 O=C(O)CCS CNP0097385.0 [2,0,0,0,0,0|2,0,0]=4 418 B5R0.2 C=CC=CC=O CNP0022566.0 [2,0,0,0,0,0|0,0,2]=4 419 B5R0.2 C=CC=CCC CNP0495438.0 [2,0,0,0,0,0|0,0,1]=3 420 B5R0.2 C=CCC=CC CNP0292090.0 [2,0,0,0,0,0|0,0,2]=4 421 B5R0.2 C=CCCCC CNP0264947.0 [2,0,0,0,0,0|0,0,1]=3 422 B5R0.2 C=CCCCO CNP0003396.0 [2,0,0,0,0,0|1,0,1]=4 423 B5R0.2 C=CCSCC CNP0261096.0 [2,0,0,0,0,0|1,0,1]=4 424 B5R0.2 C=CSSCC CNP0003136.0 [2,0,0,0,0,0|2,0,0]=4 425 B5R0.2 CC=C=CCO CNP0426440.0 [2,0,0,0,0,0|1,0,1]=4 426 B5R0.2 CC=C=COC CNP0519318.0 [2,0,0,0,0,0|1,0,1]=4 427 B5R0.2 CC=CC=CC CNP0611428.0 [2,0,0,0,0,0|0,0,1]=3 428 B5R0.2 CC=CCC#N CNP0080085.0 [2,0,0,0,0,0|1,0,1]=4 429 B5R0.2 CC=CCC=O CNP0167409.0 [2,0,0,0,0,0|0,0,2]=4 430 B5R0.2 CC=CCCC CNP0419577.0 [2,0,0,0,0,0|0,0,0]=2 431 B5R0.2 CC=CCCO CNP0253382.0 [2,0,0,0,0,0|1,0,0]=3 432 B5R0.2 CC=CSSC CNP0214071.0 [2,0,0,0,0,0|2,0,0]=4 433 B5R0.2 CCC=CC#N CNP0080058.0 [2,0,0,0,0,0|1,0,1]=4 434 B5R0.2 CCC=CC=O CNP0328747.0 [2,0,0,0,0,0|0,0,0]=2 435 B5R0.2 CCC=CCO CNP0239009.0 [2,0,0,0,0,0|0,0,2]=4 436 B5R0.2 CCC=CSC CNP0068372.0 [2,0,0,0,0,0|1,0,0]=3 437 B5R0.2 CCC=CSO CNP0458289.0 [2,0,0,0,0,0|1,0,1]=4 438 B5R0.2 CCC=NNC CNP0543863.0 [2,0,0,0,0,0|2,0,0]=4 439 B5R0.2 CCCC=CO CNP0247153.0 [2,0,0,0,0,0|0,0,1]=3 440 B5R0.2 CCCC=NO CNP0071145.0 [2,0,0,0,0,0|1,0,1]=4 441 B5R0.2 CCCCC=O CNP0361186.0 [2,0,0,0,0,0|0,0,1]=3 442 B5R0.2 CCCCCC CNP0269021.0 [2,0,0,0,0,0|0,0,2]=4 443 B5R0.2 CCCCNC CNP0277639.0 [2,0,0,0,0,0|1,0,1]=4 444 B5R0.2 CCCCOC CNP0609033.0 [2,0,0,0,0,0|1,0,1]=4 445 B5R0.2 CCCCSC CNP0562965.0 [2,0,0,0,0,0|1,0,1]=4 446 B5R0.2 CCCC[S+]=O CNP0521772.0 [2,0,0,0,0,0|1,0,1]=4 447 B5R0.2 CCCOC=O CNP0326097.0 [2,0,0,0,0,0|1,0,0]=3 448 B5R0.2 CCCSCC CNP0316215.0 [2,0,0,0,0,0|1,0,1]=4 449 B5R0.2 CCCSSC CNP0296815.0 [2,0,0,0,0,0|2,0,0]=4 450 B5R0.2 COC=COC CNP0416791.0 [2,0,0,0,0,0|2,0,0]=4 451 B5R0.2 CSC=CSC CNP0075985.0 [2,0,0,0,0,0|2,0,0]=4 452 B5R0.2 CSCCC=O CNP0136743.0 [2,0,0,0,0,0|1,0,1]=4 453 B5R0.2 NCCCC=O CNP0359033.0 [2,0,0,0,0,0|1,0,1]=4 454 B5R0.2 O=CC=CCO CNP0112016.0 [2,0,0,0,0,0|1,0,0]=3 455 B7R0.2 CCC(=CC(=O)C)C CNP0380051.0 [1,1,0,0,0,0|0,0,0]=2 456 B7R0.2 CCC(=CC(=O)O)C CNP0340018.0 [1,1,0,0,0,0|1,0,0]=3 457 B7R0.2 CCC(=O)C=C(C)C CNP0540144.0 [1,1,0,0,0,0|1,0,0]=3 458 B7R0.2 CCC(=O)CC(=O)O CNP0066606.0 [1,1,0,0,0,0|1,0,1]=4 459 B7R0.2 CCC(=O)NC(=O)C CNP0168988.0 [1,1,0,0,0,0|1,0,0]=3 460 B7R0.2 CCC(C)CC(=O)C CNP0555982.0 [1,1,0,0,0,0|0,0,1]=3 461 B7R0.2 CC[C@@H](C)CC(=O)O CNP0258429.2 [1,1,0,0,0,0|1,0,1]=4 462 B7R0.2 CC[C@@H](C)OC(=O)C CNP0076550.2 [1,1,0,0,0,0|1,0,0]=3 463 B7R0.2 CC[C@H](C)CC(=O)Cl CNP0111918.1 [1,1,0,0,0,0|1,0,1]=4 464 B7R0.2 CC[C@H](C)CC(=O)N CNP0105662.1 [1,1,0,0,0,0|1,0,1]=4 465 B7R0.2 CC[C@H](C)CC(=O)O CNP0258429.1 [1,1,0,0,0,0|1,0,1]=4 466 B7R0.2 CC[C@H](C)OC(=O)C CNP0076550.1 [1,1,0,0,0,0|1,0,0]=3 467 B7R0.2 CC[C@H](O)CC(=O)N CNP0018371.1 [1,1,0,0,0,0|1,0,1]=4 468 B7R0.2 CC[C@H](O)CC(=O)O CNP0308552.1 [1,1,0,0,0,0|1,0,1]=4 469 B7R0.2 CNC(=O)NC(=O)C CNP0066396.0 [1,1,0,0,0,0|2,0,0]=4 470 B7R0.2 COC(=CC(=O)C)C CNP0350005.0 [1,1,0,0,0,0|1,0,0]=3 471 B7R0.2 COC(=O)C=C(C)C CNP0329537.0 [1,1,0,0,0,0|2,0,0]=4 472 B7R0.2 COC(=O)CC(=O)C CNP0086286.0 [1,1,0,0,0,0|1,0,1]=4 473 B7R0.3 C=C(C=O)CCCC CNP0555185.0 [1,1,0,0,0,0|0,0,2]=4 474 B7R0.3 C=C(CC)CCCC CNP0084703.0 [1,1,0,0,0,0|1,0,1]=4 475 B7R0.3 C=CC(=CC=CC)C CNP0321924.0 [1,1,0,0,0,0|1,0,1]=4 476 B7R0.3 C=CC(=CCCC)C CNP0605951.0 [1,1,0,0,0,0|1,0,0]=3 477 B7R0.3 C=CC(=O)CCCC CNP0083902.0 [1,1,0,0,0,0|0,0,2]=4 478 B7R0.3 CCC(=O)C=CC=O CNP0194060.0 [1,1,0,0,0,0|1,0,1]=4 479 B7R0.3 CCC(=O)CCSC CNP0003468.0 [1,1,0,0,0,0|1,0,1]=4 480 B7R0.3 CCC(=O)OCCO CNP0095595.0 [1,1,0,0,0,0|2,0,0]=4 481 B7R0.3 CCC=CC(=O)CC CNP0166330.0 [1,1,0,0,0,0|0,0,0]=2 482 B7R0.3 CCCC=C(C)CC CNP0263169.0 [1,1,0,0,0,0|1,0,0]=3 483 B7R0.3 CCCCC(=O)CC CNP0286726.0 [1,1,0,0,0,0|0,0,1]=3 484 B7R0.3 CCCCC(=O)OC CNP0184855.0 [1,1,0,0,0,0|0,0,1]=3 485 B7R0.3 CCCC[C@@H](C)C=O CNP0315338.1 [1,1,0,0,0,0|0,0,2]=4 486 B7R0.3 CCCOC(=O)CC CNP0296678.0 [1,1,0,0,0,0|1,0,0]=3 487 B7R0.3 CCOCC(=O)OC CNP0306071.0 [1,1,0,0,0,0|1,0,1]=4 488 B7R0.3 CNC(=O)C=CSC CNP0255894.0 [1,1,0,0,0,0|1,0,0]=3 489 B7R0.3 COC(=O)C=CC#N CNP0257494.0 [1,1,0,0,0,0|1,0,1]=4 490 B7R0.3 COC(=O)CCSC CNP0302353.0 [1,1,0,0,0,0|1,0,1]=4 491 B7R0.3 COC=CC(=O)OC CNP0398712.0 [1,1,0,0,0,0|1,0,0]=3 492 B7R0.3 COCC=C(C)CO CNP0311126.0 [1,1,0,0,0,0|1,0,1]=4 493 B7R0.5 C=C(C)C(=O)OCC CNP0262350.0 [1,1,0,0,0,0|2,0,0]=4 494 B7R0.5 C=C(C)C(C)CCC CNP0602061.0 [1,1,0,0,0,0|1,0,1]=4 495 B7R0.5 C=C(CCN)C(=O)O CNP0291146.0 [1,1,0,0,0,0|2,0,0]=4 496 B7R0.5 C=C(CCO)C(=O)O CNP0185726.0 [1,1,0,0,0,0|2,0,0]=4 497 B7R0.5 CC(=CCO)C(=O)O CNP0200165.0 [1,1,0,0,0,0|2,0,0]=4 498 B7R0.5 CC(=O)C(=CC=O)C CNP0268204.0 [1,1,0,0,0,0|1,0,1]=4 499 B7R0.5 CC(=O)C(=O)CCO CNP0018467.0 [1,1,0,0,0,0|1,0,0]=3 500 B7R0.5 CC=CC(=O)C(=O)O CNP0553247.0 [1,1,0,0,0,0|1,0,1]=4 501 B7R0.5 CCC=C(C)C(=O)O CNP0133224.0 [1,1,0,0,0,0|1,0,0]=3 502 B7R0.5 CCCC(=O)C(=O)C CNP0318298.0 [1,1,0,0,0,0|0,0,0]=2 503 B7R0.5 CCCC(=O)C(=O)N CNP0302137.0 [1,1,0,0,0,0|1,0,0]=3 504 B7R0.5 CCCC(=O)C(=O)O CNP0186110.0 [1,1,0,0,0,0|1,0,0]=3 505 B7R0.5 CCCC(=O)C(C)C CNP0310980.0 [1,1,0,0,0,0|1,0,1]=4 506 B7R0.5 CCCC(=O)[C@@H](C)O CNP0229678.1 [1,1,0,0,0,0|0,0,2]=4 507 B7R0.5 CCCC(=O)[C@H](C)O CNP0229678.2 [1,1,0,0,0,0|0,0,2]=4 508 B7R0.5 CCCC(C)C(=O)C CNP0145602.0 [1,1,0,0,0,0|0,0,1]=3 509 B7R0.5 CCC[C@@H](C)C(=O)Cl CNP0181182.1 [1,1,0,0,0,0|1,0,1]=4 510 B7R0.5 CCC[C@@H](C)C(=O)N CNP0263004.1 [1,1,0,0,0,0|1,0,1]=4 511 B7R0.5 CCC[C@@H](C)C(=O)O CNP0218134.2 [1,1,0,0,0,0|1,0,1]=4 512 B7R0.5 CCC[C@@H](N)C(=O)O CNP0198245.2 [1,1,0,0,0,0|1,0,1]=4 513 B7R0.5 CCC[C@@H](O)C(=O)C CNP0171062.1 [1,1,0,0,0,0|0,0,1]=3 514 B7R0.5 CCC[C@H](C)C(=O)Cl CNP0181182.2 [1,1,0,0,0,0|1,0,1]=4 515 B7R0.5 CCC[C@H](C)C(=O)N CNP0263004.2 [1,1,0,0,0,0|1,0,1]=4 516 B7R0.5 CCC[C@H](C)C(=O)O CNP0218134.1 [1,1,0,0,0,0|1,0,1]=4 517 B7R0.5 CCC[C@H](N)C(=O)N CNP0559533.1 [1,1,0,0,0,0|1,0,1]=4 518 B7R0.5 CCC[C@H](N)C(=O)O CNP0198245.1 [1,1,0,0,0,0|1,0,1]=4 519 B7R0.5 CCC[C@H](O)C(=O)O CNP0107771.1 [1,1,0,0,0,0|1,0,1]=4 520 B7R0.5 CCOC(=O)C(=O)C CNP0125982.0 [1,1,0,0,0,0|1,0,0]=3 521 B7R0.5 CCOC(C)C(=O)C CNP0496996.0 [1,1,0,0,0,0|1,0,1]=4 522 B7R0.5 O=C(O)C(=O)CCO CNP0361332.0 [1,1,0,0,0,0|2,0,0]=4 523 B7R0.6 C=C(C)CCC(=O)C CNP0003362.0 [1,1,0,0,0,0|0,0,2]=4 524 B7R0.6 CC(=CC=C(C)C)C CNP0084726.0 [1,1,0,0,0,0|1,0,1]=4 525 B7R0.6 CC(=O)C=CC(=O)C CNP0303603.0 [1,1,0,0,0,0|0,0,1]=3 526 B7R0.6 CC(=O)C=CC(=O)O CNP0237218.0 [1,1,0,0,0,0|1,0,1]=4 527 B7R0.6 CC(=O)C=CC(C)C CNP0282647.0 [1,1,0,0,0,0|0,0,0]=2 528 B7R0.6 CC(=O)CCC(=O)C CNP0291926.0 [1,1,0,0,0,0|0,0,2]=4 529 B7R0.6 CC(=O)CCC(C)C CNP0109911.0 [1,1,0,0,0,0|0,0,1]=3 530 B7R0.6 CC(=O)COC(=O)C CNP0316161.0 [1,1,0,0,0,0|1,0,1]=4 531 B7R0.6 CC(=O)COC(C)C CNP0500658.0 [1,1,0,0,0,0|1,0,1]=4 532 B7R0.6 CC(=O)NCC(C)C CNP0330824.0 [1,1,0,0,0,0|1,0,0]=3 533 B7R0.6 CC(=O)OCC(C)C CNP0233943.0 [1,1,0,0,0,0|1,0,0]=3 534 B7R0.6 CC(C)C=CC(=O)Cl CNP0373188.0 [1,1,0,0,0,0|1,0,0]=3 535 B7R0.6 CC(C)C=CC(=O)O CNP0205254.0 [1,1,0,0,0,0|1,0,0]=3 536 B7R0.6 CC(C)CCC(=O)Cl CNP0308408.0 [1,1,0,0,0,0|1,0,1]=4 537 B7R0.6 CC(C)CCC(=O)N CNP0148296.0 [1,1,0,0,0,0|1,0,1]=4 538 B7R0.6 CC(C)CCC(=O)O CNP0414918.0 [1,1,0,0,0,0|1,0,1]=4 539 B7R0.6 CC(O)C=CC(C)O CNP0301514.0 [1,1,0,0,0,0|0,0,2]=4 540 B7R0.6 C[C@H](O)CCC(=O)O CNP0154959.1 [1,1,0,0,0,0|1,0,1]=4 541 B7R0.8 CCCO[As](=O)(C)C CNP0175825.0 [1,1,0,0,0,0|2,0,0]=4 542 B7R0.8 CS(=O)(=O)C=CCO CNP0185981.0 [1,1,0,0,0,0|2,0,0]=4 543 B7R0.1 C#CC=CCCCC CNP0076122.0 [1,1,0,0,0,0|0,0,2]=4 544 B7R0.1 C=CC=CC=CCC CNP0261432.0 [1,1,0,0,0,0|0,0,2]=4 545 B7R0.1 C=CC=CCC=CC CNP0290357.0 [1,1,0,0,0,0|0,0,2]=4 546 B7R0.1 C=CC=CCCC=C CNP0365770.0 [1,1,0,0,0,0|0,0,2]=4 547 B7R0.1 C=CC=CCCCC CNP0084214.0 [1,1,0,0,0,0|0,0,1]=3 548 B7R0.1 C=CCCCC=CC CNP0076717.0 [1,1,0,0,0,0|0,0,2]=4 549 B7R0.1 CC=CC=CC=CC CNP0185443.0 [1,1,0,0,0,0|0,0,2]=4 550 B7R0.1 CC=CC=CCCC CNP0275494.0 [1,1,0,0,0,0|0,0,0]=2 551 B7R0.1 CC=CCC=CCO CNP0168622.0 [1,1,0,0,0,0|1,0,1]=4 552 B7R0.1 CC=CCCC=CC CNP0082120.0 [1,1,0,0,0,0|0,0,2]=4 553 B7R0.1 CC=CCCCCC CNP0199237.0 [1,1,0,0,0,0|0,0,1]=3 554 B7R0.1 CC=CCSCCC CNP0536250.0 [1,1,0,0,0,0|0,0,1]=3 555 B7R0.1 CC=CSSCCC CNP0421889.0 [1,1,0,0,0,0|1,0,0]=3 556 B7R0.1 CCC#CC=CCO CNP0417978.0 [1,1,0,0,0,0|0,0,2]=4 557 B7R0.1 CCC=CC=CC=O CNP0276667.0 [1,1,0,0,0,0|0,0,1]=3 558 B7R0.1 CCC=CC=CCC CNP0546897.0 [1,1,0,0,0,0|0,0,1]=3 559 B7R0.1 CCC=CC=CCO CNP0332799.0 [1,1,0,0,0,0|0,0,1]=3 560 B7R0.1 CCC=CCCC=O CNP0265888.0 [1,1,0,0,0,0|0,0,2]=4 561 B7R0.1 CCC=CCCCC CNP0084702.0 [1,1,0,0,0,0|0,0,1]=3 562 B7R0.1 CCC=CCCCO CNP0003503.0 [1,1,0,0,0,0|0,0,1]=3 563 B7R0.1 CCCC=CC=CO CNP0524724.0 [1,1,0,0,0,0|0,0,1]=3 564 B7R0.1 CCCC=CCC=O CNP0201799.0 [1,1,0,0,0,0|0,0,0]=2 565 B7R0.1 CCCC=CCCC CNP0541880.0 [1,1,0,0,0,0|0,0,1]=3 566 B7R0.1 CCCC=CCCO CNP0287313.0 [1,1,0,0,0,0|0,0,1]=3 567 B7R0.1 CCCCC=CC=O CNP0210810.0 [1,1,0,0,0,0|0,0,0]=2 568 B7R0.1 CCCCC=CCO CNP0191159.0 [1,1,0,0,0,0|0,0,1]=3 569 B7R0.1 CCCCCCC=O CNP0243745.0 [1,1,0,0,0,0|0,0,2]=4 570 B7R0.1 CCCCCOC=O CNP0294368.0 [1,1,0,0,0,0|0,0,2]=4 571 B7R0.1 CCCCN=CC=S CNP0423600.0 [1,1,0,0,0,0|0,1,1]=4 572 B7R0.1 CCCC[N+]=CC=S CNP0578229.0 [1,1,0,0,0,0|0,1,1]=4 573 B7R0.1 O=CC=CC=CCO CNP0296757.0 [1,1,0,0,0,0|0,0,2]=4 574 B7R0.7 C=C(CCC)CCC CNP0515689.0 [1,1,0,0,0,0|0,0,2]=4 575 B7R0.7 CC(=CC=O)CCO CNP0162817.0 [1,1,0,0,0,0|1,0,0]=3 576 B7R0.7 CC=CC(=CC=O)C CNP0360026.0 [1,1,0,0,0,0|0,0,2]=4 577 B7R0.7 CC=CC(=O)CCC CNP0003369.0 [1,1,0,0,0,0|0,0,0]=2 578 B7R0.7 CC=CC(=O)OCC CNP0251499.0 [1,1,0,0,0,0|1,0,0]=3 579 B7R0.7 CC=CC(C)CCC CNP0084706.0 [1,1,0,0,0,0|0,0,1]=3 580 B7R0.7 CC=CC(O)CCC CNP0324750.0 [1,1,0,0,0,0|0,0,1]=3 581 B7R0.7 CCC=C(C)CCC CNP0345457.0 [1,1,0,0,0,0|0,0,1]=3 582 B7R0.7 CCCC(=O)CCC CNP0310318.0 [1,1,0,0,0,0|0,0,2]=4 583 B7R0.7 CCCC(=O)OCC CNP0232050.0 [1,1,0,0,0,0|1,0,1]=4 584 B7R0.7 CCCC(=S)OCC CNP0612025.0 [1,1,0,0,0,0|1,0,1]=4 585 B7R0.7 CCCC(C)CC=O CNP0405888.0 [1,1,0,0,0,0|0,0,2]=4 586 B7R0.7 CCOC(=O)C=CBr CNP0103315.0 [1,1,0,0,0,0|2,0,0]=4 587 B7R0.7 CCOC(=O)C=CCl CNP0155772.0 [1,1,0,0,0,0|2,0,0]=4 588 B7R0.7 CCOC(=O)C=CI CNP0229422.0 [1,1,0,0,0,0|2,0,0]=4 589 B9R0.4 CCCCC(=CC(=O)O)Br CNP0238887.0 [0,2,0,0,0,0|1,0,0]=3 590 B9R0.4 CCCCC(=CC(=O)O)C CNP0381508.0 [0,2,0,0,0,0|1,0,0]=3 591 B9R0.4 CCCCC(=O)C=C(C)C CNP0611962.0 [0,2,0,0,0,0|1,0,0]=3 592 B9R0.4 CCCCC(=O)CC(=O)C CNP0579463.0 [0,2,0,0,0,0|0,0,1]=3 593 B9R0.4 CCCC[C@H](C)OC(=O)C CNP0107912.1 [0,2,0,0,0,0|0,0,2]=4 594 B9R0.4 CCCOC(=O)CC(=O)O CNP0488661.0 [0,2,0,0,0,0|1,0,1]=4 595 B9R0.4 CCCOC(=O)NC(=O)N CNP0233110.0 [0,2,0,0,0,0|2,0,0]=4 596 B9R0.6 C=C(CCC)[C@H](N)C(=O)O CNP0264403.1 [0,2,0,0,0,0|1,0,1]=4 597 B9R0.6 CCOC(=O)C(C)C(=O)C CNP0103680.0 [0,2,0,0,0,0|1,0,1]=4 598 B9R0.14 C#C[C@H](CCC)OC(=O)C CNP0409199.1 [0,2,0,0,0,0|1,0,1]=4 599 B9R0.14 C=C[C@@H](CCC)OC(=O)C CNP0360654.1 [0,2,0,0,0,0|1,0,1]=4 600 B9R0.14 CCCC(CC)OC(=O)C CNP0522744.0 [0,2,0,0,0,0|1,0,1]=4 601 B9R0.14 COC(=CC(=O)O)CCO CNP0423420.0 [0,2,0,0,0,0|2,0,0]=4 602 B9R0.23 CC[C@@H](O)[C@H](C)NC(=O)C CNP0535111.2 [0,2,0,0,0,0|1,0,1]=4 603 B9R0.23 CC[C@H](O)[C@H](C)NC(=O)C CNP0535111.1 [0,2,0,0,0,0|1,0,1]=4 604 B9R0.34 CCC=C(C)C=C(C)CO CNP0110428.0 [0,2,0,0,0,0|0,0,2]=4 605 B9R0.34 CCCC(C)OC(=O)CC CNP0076186.0 [0,2,0,0,0,0|1,0,1]=4 606 B9R0.34 CCC[C@@H](O)CC(=O)OC CNP0044478.2 [0,2,0,0,0,0|0,0,2]=4 607 B9R0.34 CCC[C@H](O)CC(=O)OC CNP0044478.1 [0,2,0,0,0,0|0,0,2]=4 608 B9R0.34 COC(=O)C=C(C)CCO CNP0161567.0 [0,2,0,0,0,0|1,0,0]=3 609 B9R0.53 C=C(C)C=C(C)CC(=C)C CNP0509803.0 [0,2,0,0,0,0|1,0,1]=4 610 B9R0.53 CC(=CC(=O)OC(C)C)C CNP0228790.0 [0,2,0,0,0,0|2,0,0]=4 611 B9R0.53 CC(=CC(=O)SC(C)C)C CNP0219971.0 [0,2,0,0,0,0|2,0,0]=4 612 B9R0.53 CC(=O)C=C(C)OC(=O)C CNP0367502.0 [0,2,0,0,0,0|1,0,1]=4 613 B9R0.53 CC(=O)C[C@@H](C)CC(C)C CNP0357030.1 [0,2,0,0,0,0|0,0,2]=4 614 B9R0.53 CC(=O)O[C@H](C)CC(C)C CNP0489311.1 [0,2,0,0,0,0|1,0,1]=4 615 B9R0.53 C[C@H](N)CC(=O)CC(=O)O CNP0136260.1 [0,2,0,0,0,0|1,0,1]=4 616 B9R0.1 C=C(CC)CCC=C(C)C CNP0507875.0 [0,2,0,0,0,0|1,0,1]=4 617 B9R0.1 C=CC(=CC=CC(C)C)C CNP0086413.0 [0,2,0,0,0,0|1,0,1]=4 618 B9R0.1 C=CC(=CCCC(C)C)C CNP0227262.0 [0,2,0,0,0,0|1,0,1]=4 619 B9R0.1 C=C[C@@H](C)/C=C\C=C(C)C CNP0312376.1 [0,2,0,0,0,0|1,0,1]=4 620 B9R0.1 C=C[C@@H](C)CCC=C(C)C CNP0168256.2 [0,2,0,0,0,0|1,0,1]=4 621 B9R0.1 C=C[C@H](C)CCC=C(C)C CNP0168256.1 [0,2,0,0,0,0|1,0,1]=4 622 B9R0.1 CC(=CCCC(C)C)C=O CNP0199233.0 [0,2,0,0,0,0|0,0,1]=3 623 B9R0.1 CC(=CCC[C@@H](C)C=O)C CNP0150075.2 [0,2,0,0,0,0|1,0,1]=4 624 B9R0.1 CC(=CCC[C@@H](C)CO)C CNP0191212.1 [0,2,0,0,0,0|1,0,1]=4 625 B9R0.1 CC(=CCC[C@H](C)C=O)C CNP0150075.1 [0,2,0,0,0,0|1,0,1]=4 626 B9R0.1 CC(=O)C=CC=C(C)CO CNP0040353.0 [0,2,0,0,0,0|0,0,2]=4 627 B9R0.1 CC=C(C)C=CCC(C)C CNP0113285.0 [0,2,0,0,0,0|1,0,0]=3 628 B9R0.1 CCC(=O)C=CCC(C)C CNP0303308.0 [0,2,0,0,0,0|0,0,0]=2 629 B9R0.1 CCC(=O)OCCC(C)C CNP0244888.0 [0,2,0,0,0,0|1,0,1]=4 630 B9R0.1 CCC(C)CC=CC(C)C CNP0083062.0 [0,2,0,0,0,0|1,0,1]=4 631 B9R0.1 CCC(C)OCCC(=O)C CNP0493314.0 [0,2,0,0,0,0|0,0,2]=4 632 B9R0.1 CC[C@@H](C)/C=C/C=C(C)C CNP0154756.1 [0,2,0,0,0,0|1,0,0]=3 633 B9R0.1 CC[C@@H](C)/C=C\C=C(C)C CNP0154756.2 [0,2,0,0,0,0|1,0,0]=3 634 B9R0.1 CNC(C)CCC=C(C)C CNP0500173.0 [0,2,0,0,0,0|1,0,1]=4 635 B9R0.1 COC(=O)CCCC(C)C CNP0354056.0 [0,2,0,0,0,0|0,0,2]=4 636 B9R0.5 C=CCC(=O)CCCCC CNP0108996.0 [0,2,0,0,0,0|0,0,2]=4 637 B9R0.5 CC=CC(=O)C=CCCC CNP0250774.0 [0,2,0,0,0,0|0,0,0]=2 638 B9R0.5 CC=CC(=O)CCCCC CNP0176491.0 [0,2,0,0,0,0|0,0,2]=4 639 B9R0.5 CC=CC(=O)OCCCC CNP0017670.0 [0,2,0,0,0,0|1,0,1]=4 640 B9R0.5 CC=CC=CC(=O)OCC CNP0002481.0 [0,2,0,0,0,0|0,0,2]=4 641 B9R0.5 CCC=CCC(=O)OCC CNP0055106.0 [0,2,0,0,0,0|0,0,2]=4 642 B9R0.5 CCCC=CC(=O)OCC CNP0003275.0 [0,2,0,0,0,0|0,0,0]=2 643 B9R0.5 CCCCCC(=O)CCC CNP0331420.0 [0,2,0,0,0,0|0,0,2]=4 644 B9R0.5 CCCCCC(=O)CCO CNP0135586.0 [0,2,0,0,0,0|0,0,2]=4 645 B9R0.5 CCCCCC(=O)OCC CNP0149883.0 [0,2,0,0,0,0|0,0,2]=4 646 B9R0.5 CCCCOC(=O)CCC CNP0123594.0 [0,2,0,0,0,0|1,0,1]=4 647 B9R0.8 CC=C(C)C(=O)OCCC CNP0003448.0 [0,2,0,0,0,0|2,0,0]=4 648 B9R0.8 CCCCC(=O)C(=O)OC CNP0508522.0 [0,2,0,0,0,0|0,0,1]=3 649 B9R0.8 CCCC[C@@H](Br)C(=O)CBr CNP0143614.2 [0,2,0,0,0,0|0,0,2]=4 650 B9R0.8 CCCC[C@@H](C)C(=O)CC CNP0221294.1 [0,2,0,0,0,0|0,0,2]=4 651 B9R0.8 CCCC[C@H](Br)C(=O)CBr CNP0143614.1 [0,2,0,0,0,0|0,0,2]=4 652 B9R0.8 CCCC[C@H](Br)C(=O)OC CNP0017826.1 [0,2,0,0,0,0|0,0,2]=4 653 B9R0.24 CCC(=O)CC[C@@H](C)CC CNP0210465.2 [0,2,0,0,0,0|0,0,2]=4 654 B9R0.24 CCC(=O)CC[C@H](C)CC CNP0210465.1 [0,2,0,0,0,0|0,0,2]=4 655 B9R0.24 CCC(=O)OC[C@@H](C)CC CNP0161389.1 [0,2,0,0,0,0|1,0,1]=4 656 B9R0.24 CCC(C)CCC(=O)OC CNP0076942.0 [0,2,0,0,0,0|0,0,2]=4 657 B9R0.24 CC[C@@H](C)/C=C/C(=O)OC CNP0273478.2 [0,2,0,0,0,0|0,0,0]=2 658 B9R0.24 CC[C@@H](C)C=CC(=O)OC CNP0273478.1 [0,2,0,0,0,0|0,0,0]=2 659 B9R0.24 COC(=O)C=CC(=O)OC CNP0328522.0 [0,2,0,0,0,0|1,0,1]=4 660 B9R0.46 CCC(=O)C=CC=CCO CNP0451824.0 [0,2,0,0,0,0|0,0,2]=4 661 B9R0.46 CCC=CCCC(=O)OC CNP0175025.0 [0,2,0,0,0,0|0,0,2]=4 662 B9R0.46 CCCCC=CC(=O)OC CNP0002590.0 [0,2,0,0,0,0|0,0,0]=2 663 B9R0.46 CCCCCC=C(C)C=O CNP0094185.0 [0,2,0,0,0,0|0,0,1]=3 664 B9R0.46 CCCCCCC(=O)CC CNP0226154.0 [0,2,0,0,0,0|0,0,2]=4 665 B9R0.46 CCCCCCC(=O)OC CNP0149439.0 [0,2,0,0,0,0|0,0,2]=4 666 B9R0.46 CCCCCOC(=O)CC CNP0268077.0 [0,2,0,0,0,0|0,0,2]=4 667 B9R0.46 CSCCCOC(=O)CS CNP0575609.0 [0,2,0,0,0,0|1,0,1]=4 668 B9R0.47 C=C(C)C(=O)OCCCC CNP0245815.0 [0,2,0,0,0,0|1,0,1]=4 669 B9R0.47 C=C(CCCCC)C(=O)C CNP0237498.0 [0,2,0,0,0,0|0,0,1]=3 670 B9R0.47 CCCCCC(=O)C(=O)C CNP0172779.0 [0,2,0,0,0,0|0,0,1]=3 671 B9R0.47 CCCCCC(=O)C(Br)Br CNP0018433.0 [0,2,0,0,0,0|0,0,2]=4 672 B9R0.47 CCCCCC(=O)[C@H](C)O CNP0109068.1 [0,2,0,0,0,0|0,0,2]=4 673 B9R0.47 CCCCC[C@@H](O)C(=O)C CNP0254836.1 [0,2,0,0,0,0|0,0,2]=4 674 B9R0.47 CCCCOC(=O)C(C)C CNP0252598.0 [0,2,0,0,0,0|1,0,1]=4 675 B9R0.47 CCCCOC(=O)[C@H](C)O CNP0002502.1 [0,2,0,0,0,0|1,0,1]=4 676 B9R0.47 CSCCCC(=O)C(=O)O CNP0309382.0 [0,2,0,0,0,0|1,0,1]=4 677 B9R0.47 NCCCCC(=O)C(=O)O CNP0416953.0 [0,2,0,0,0,0|1,0,1]=4 678 B9R0.50 CCCC=CC(OC)OC CNP0003291.0 [0,2,0,0,0,0|0,0,2]=4 679 B9R0.50 CCCCC=C(C=O)CC CNP0377822.0 [0,2,0,0,0,0|0,0,1]=3 680 B9R0.2 C=CCCCCCC(=O)C CNP0160913.0 [0,2,0,0,0,0|0,0,2]=4 681 B9R0.2 CC(=O)CCCCCCO CNP0501685.0 [0,2,0,0,0,0|0,0,2]=4 682 B9R0.2 CC(=O)NCCCCCN CNP0366211.0 [0,2,0,0,0,0|0,0,2]=4 683 B9R0.2 CC=CC=CCCC(=O)C CNP0426415.0 [0,2,0,0,0,0|0,0,2]=4 684 B9R0.2 CC=CCCC=CC(=O)O CNP0585544.0 [0,2,0,0,0,0|1,0,0]=3 685 B9R0.2 CC=CCCCOC(=O)C CNP0248523.0 [0,2,0,0,0,0|1,0,1]=4 686 B9R0.2 CCC=CCCOC(=O)C CNP0265323.0 [0,2,0,0,0,0|0,0,2]=4 687 B9R0.2 CCCC#CC#CC(=O)C CNP0119755.0 [0,2,0,0,0,0|0,0,2]=4 688 B9R0.2 CCCC=CC#CC(=O)N CNP0372311.0 [0,2,0,0,0,0|1,0,0]=3 689 B9R0.2 CCCC=CC=CC(=O)N CNP0194584.0 [0,2,0,0,0,0|1,0,0]=3 690 B9R0.2 CCCC=CC=CC(=O)O CNP0529774.0 [0,2,0,0,0,0|1,0,0]=3 691 B9R0.2 CCCC=CCCC(=O)C CNP0193124.0 [0,2,0,0,0,0|0,0,0]=2 692 B9R0.2 CCCC=CCCC(=O)O CNP0173555.0 [0,2,0,0,0,0|1,0,0]=3 693 B9R0.2 CCCC=CCOC(=O)C CNP0181998.0 [0,2,0,0,0,0|0,0,0]=2 694 B9R0.2 CCCCC=CCC(=O)O CNP0229088.0 [0,2,0,0,0,0|1,0,0]=3 695 B9R0.2 CCCCC=COC(=O)C CNP0481499.0 [0,2,0,0,0,0|0,0,0]=2 696 B9R0.2 CCCCCC=CC(=O)C CNP0269922.0 [0,2,0,0,0,0|0,0,0]=2 697 B9R0.2 CCCCCC=CC(=O)O CNP0184671.0 [0,2,0,0,0,0|1,0,0]=3 698 B9R0.2 CCCCCCCC(=O)C CNP0364677.0 [0,2,0,0,0,0|0,0,2]=4 699 B9R0.2 CCCCCCOC(=O)C CNP0292917.0 [0,2,0,0,0,0|0,0,2]=4 700 B9R0.38 CCCCC=CC(C)(C)O CNP0348905.0 [0,2,0,0,0,0|0,0,2]=4 701 B9R0.38 C[N+](C)(C)C=CCCCN CNP0070783.0 [0,2,0,0,0,0|2,0,0]=4 702 B9R0.48 C=C(C)COC(=O)CCC CNP0002915.0 [0,2,0,0,0,0|1,0,1]=4 703 B9R0.48 CCCC(=O)CCC(=O)C CNP0566396.0 [0,2,0,0,0,0|0,0,1]=3 704 B9R0.48 CCCC(=O)COC(=O)C CNP0598796.0 [0,2,0,0,0,0|0,0,1]=3 705 B9R0.48 CCCC(=O)NCC(=O)O CNP0083880.0 [0,2,0,0,0,0|1,0,1]=4 706 B9R0.48 CCCC(C)CCC(=O)C CNP0484866.0 [0,2,0,0,0,0|0,0,2]=4 707 B9R0.48 CCOC(=O)C=CC(=O)O CNP0272269.0 [0,2,0,0,0,0|1,0,1]=4 708 B9R0.48 CCOC(=O)CCC(=O)C CNP0002491.0 [0,2,0,0,0,0|1,0,1]=4 709 B9R0.48 CCSC(=O)CNC(=O)C CNP0507251.0 [0,2,0,0,0,0|1,0,1]=4 710 B9R0.55 C=C(C)CCCC=C(C)C CNP0556185.0 [0,2,0,0,0,0|1,0,1]=4 711 B9R0.55 CC(=O)C=CCCC(C)C CNP0019322.0 [0,2,0,0,0,0|0,0,0]=2 712 B9R0.55 CC(=O)CCCCC(C)C CNP0596169.0 [0,2,0,0,0,0|0,0,2]=4 713 B9R0.55 CC(=O)CCCNC(=O)C CNP0404524.0 [0,2,0,0,0,0|1,0,1]=4 714 B9R0.55 CC(=O)NCC=CC(=O)O CNP0164677.0 [0,2,0,0,0,0|1,0,1]=4 715 B9R0.55 CC(=O)OCC=CC(C)C CNP0539988.0 [0,2,0,0,0,0|0,0,2]=4 716 B9R0.55 O=C(O)C=CCCC(=O)O CNP0419680.0 [0,2,0,0,0,0|1,0,1]=4 717 B9R0.7 C=C(C)C(=O)OCC(C)C CNP0097521.0 [0,2,0,0,0,0|2,0,0]=4 718 B9R0.7 C=C(C)C=CC(C)C(=C)C CNP0224725.0 [0,2,0,0,0,0|1,0,1]=4 719 B9R0.7 C[C@H](O)[C@@H](O)/C=C/C(=O)O CNP0206491.1 [0,2,0,0,0,0|1,0,0]=3 720 B9R0.13 CCCCC(=NO)C(=O)O CNP0294790.0 [0,2,0,0,0,0|1,0,1]=4 721 B9R0.13 CCCCC(CO)C(=O)C CNP0071990.0 [0,2,0,0,0,0|0,0,2]=4 722 B9R0.42 CC[C@@H](C)/C=C(\C)/C(=O)C CNP0235309.1 [0,2,0,0,0,0|0,0,0]=2 723 B9R0.42 CC[C@H](C)/C=C(\C)/C(=O)C CNP0235309.2 [0,2,0,0,0,0|0,0,0]=2 724 B9R0.51 CCCCC(Br)(Br)C(=O)C CNP0017708.0 [0,2,0,0,0,0|0,0,2]=4 725 B9R0.43 CC=C(C=CC(=O)N)CC CNP0192720.0 [0,2,0,0,0,0|1,0,1]=4 726 B9R0.43 CCC(C=CC(=O)C)CC CNP0612140.0 [0,2,0,0,0,0|0,0,0]=2 727 B9R0.43 CCC(CC)COC(=O)C CNP0003350.0 [0,2,0,0,0,0|1,0,1]=4 728 B9R0.56 CC(=CC=CC(C)(C)O)C CNP0611988.0 [0,2,0,0,0,0|1,0,1]=4 729 B9R0.56 CC(=O)C=CNC(C)(C)C CNP0065095.0 [0,2,0,0,0,0|1,0,0]=3 730 B9R0.56 CC(=O)CCCC(C)(C)C CNP0540441.0 [0,2,0,0,0,0|0,0,2]=4 731 B9R0.56 CC(=O)OCCC(C)(C)S CNP0128324.0 [0,2,0,0,0,0|1,0,1]=4 732 B9R0.56 CC(C)(C)SC=CC(=O)N CNP0500148.0 [0,2,0,0,0,0|2,0,0]=4 733 B9R0.56 C[N+](C)(C)CC=CC(=O)O CNP0058148.0 [0,2,0,0,0,0|2,0,0]=4 734 B9R0.56 C[N+](C)(C)CC=CC(=O)[O-] CNP0522002.0 [0,2,0,0,0,0|2,0,0]=4 735 B7R1.2 CC1=CC=C(N1)C CNP0293795.0 [1,0,0,1,0,0|1,0,1]=4 736 B7R1.2 CC1=CC=C(O1)C CNP0204172.0 [1,0,0,1,0,0|0,0,2]=4 737 B7R1.2 CC1=CC=C(S1)C CNP0108172.0 [1,0,0,1,0,0|0,1,1]=4 738 B7R1.2 CC1=NC(CN1)C CNP0564639.0 [1,0,0,1,0,0|2,0,0]=4 739 B7R1.2 CC1=NC[C@@H](N1)C CNP0268657.1 [1,0,0,1,0,0|2,0,0]=4 740 B7R1.2 CC1=NN(C=C1)C CNP0605610.0 [1,0,0,1,0,0|2,0,0]=4 741 B7R1.2 CC1C=CC(=O)O1 CNP0003646.0 [1,0,0,1,0,0|1,0,0]=3 742 B7R1.2 CC1C=CC(O1)C CNP0611535.0 [1,0,0,1,0,0|0,0,2]=4 743 B7R1.2 CC1CC(=CS1)S CNP0301304.0 [1,0,0,1,0,0|1,1,0]=4 744 B7R1.2 CC1CCC(=O)C1 CNP0601005.0 [1,0,0,1,0,0|0,0,1]=3 745 B7R1.2 CC1CCC(=O)S1 CNP0014457.0 [1,0,0,1,0,0|1,0,1]=4 746 B7R1.2 CC1CNC(=O)C1 CNP0609130.0 [1,0,0,1,0,0|1,0,0]=3 747 B7R1.2 CC1COC(=O)O1 CNP0609065.0 [1,0,0,1,0,0|2,0,0]=4 748 B7R1.2 C[C@@H]1CCC(=O)O1 CNP0123835.1 [1,0,0,1,0,0|1,0,1]=4 749 B7R1.2 C[C@@H]1COC(=O)C1 CNP0323281.1 [1,0,0,1,0,0|1,0,0]=3 750 B7R1.2 C[C@H]1CCC(=O)O1 CNP0123835.2 [1,0,0,1,0,0|1,0,1]=4 751 B7R1.2 C[C@H]1COC(=O)C1 CNP0323281.2 [1,0,0,1,0,0|1,0,0]=3 752 B7R1.2 O=C1C=CC(=O)C1 CNP0421080.0 [1,0,0,1,0,0|1,0,1]=4 753 B7R1.2 O=C1C=CC(C1)O CNP0594515.0 [1,0,0,1,0,0|1,0,0]=3 754 B7R1.2 O=C1C=C[C@H](N1)O CNP0582707.1 [1,0,0,1,0,0|2,0,0]=4 755 B7R1.2 O=C1C[C@@H](CN1)O CNP0188830.1 [1,0,0,1,0,0|2,0,0]=4 756 B7R1.2 O=C1C[C@@H](CO1)O CNP0174638.1 [1,0,0,1,0,0|2,0,0]=4 757 B7R1.2 O=C1C[C@H](CN1)O CNP0188830.2 [1,0,0,1,0,0|2,0,0]=4 758 B7R1.2 O=C1C[C@H](CO1)O CNP0174638.2 [1,0,0,1,0,0|2,0,0]=4 759 B7R1.3 C=C1CCCCC1 CNP0312009.0 [1,0,0,1,0,0|1,0,1]=4 760 B7R1.3 CC1=CC=CCC1 CNP0238161.0 [1,0,0,1,0,0|1,0,1]=4 761 B7R1.3 CC1=CCCCC1 CNP0369235.0 [1,0,0,1,0,0|1,0,0]=3 762 B7R1.3 O=C1C=CC=CC1 CNP0572434.0 [1,0,0,1,0,0|0,0,2]=4 763 B7R1.3 O=C1C=CCCC1 CNP0212151.0 [1,0,0,1,0,0|0,0,0]=2 764 B7R1.3 O=C1C=CCCN1 CNP0306654.0 [1,0,0,1,0,0|1,0,0]=3 765 B7R1.3 O=C1CC=CCC1 CNP0481976.0 [1,0,0,1,0,0|0,0,2]=4 766 B7R1.3 O=C1CCC=CO1 CNP0002518.0 [1,0,0,1,0,0|1,0,1]=4 767 B7R1.3 O=C1CCCC=N1 CNP0335756.0 [1,0,0,1,0,0|1,0,0]=3 768 B7R1.3 O=C1CCCCC1 CNP0271526.0 [1,0,0,1,0,0|0,0,1]=3 769 B7R1.3 O=C1CCCCN1 CNP0142808.0 [1,0,0,1,0,0|1,0,0]=3 770 B7R1.3 O=C1CCCCO1 CNP0237404.0 [1,0,0,1,0,0|1,0,0]=3 771 B7R1.3 O=C1CCNCC1 CNP0212699.0 [1,0,0,1,0,0|1,0,1]=4 772 B7R1.3 O=C1COCCN1 CNP0517075.0 [1,0,0,1,0,0|2,0,0]=4 773 B7R1.3 OC1=CCCCC1 CNP0083987.0 [1,0,0,1,0,0|0,0,1]=3 774 B7R1.3 OC1=NCCC=C1 CNP0563692.0 [1,0,0,1,0,0|1,0,1]=4 775 B7R1.3 OC1=NCCCC1 CNP0547052.0 [1,0,0,1,0,0|1,0,1]=4 776 B7R1.3 O[C@@H]1C=CCCC1 CNP0239826.2 [1,0,0,1,0,0|0,0,2]=4 777 B7R1.3 O[C@H]1C=CCCC1 CNP0239826.1 [1,0,0,1,0,0|0,0,2]=4 778 B7R1.12 CC(=O)C1C=C1C CNP0335802.0 [1,0,0,1,0,0|0,0,2]=4 779 B7R1.18 CC(=O)C1CCS1 CNP0002501.0 [1,0,0,1,0,0|1,0,1]=4 780 B7R1.1 CCC1=CC=CO1 CNP0402547.0 [1,0,0,1,0,0|0,0,2]=4 781 B7R1.1 CCC1=CC=CS1 CNP0405107.0 [1,0,0,1,0,0|0,1,1]=4 782 B7R1.1 CCC1=CCCC1 CNP0080677.0 [1,0,0,1,0,0|0,0,1]=3 783 B7R1.1 CCN1C=CC=C1 CNP0076212.0 [1,0,0,1,0,0|1,0,1]=4 784 B7R1.1 O=CN1CCCC1 CNP0081536.0 [1,0,0,1,0,0|1,0,1]=4 785 B7R1.4 CC1=C(OC=C1)C CNP0003373.0 [1,0,0,1,0,0|1,0,1]=4 786 B7R1.4 CC1=C(SC=C1)C CNP0003149.0 [1,0,0,1,0,0|1,0,1]=4 787 B7R1.4 CC1COCC1=O CNP0611227.0 [1,0,0,1,0,0|1,0,1]=4 788 B7R1.4 CN1CC=CC1=O CNP0611983.0 [1,0,0,1,0,0|1,0,0]=3 789 B7R1.4 C[C@@H]1CCCC1=O CNP0165073.2 [1,0,0,1,0,0|0,0,2]=4 790 B7R1.4 C[C@@H]1CCOC1=O CNP0290908.1 [1,0,0,1,0,0|1,0,1]=4 791 B7R1.4 C[C@H]1CCCC1=O CNP0165073.1 [1,0,0,1,0,0|0,0,2]=4 792 B7R1.4 C[C@H]1CCOC1=O CNP0290908.2 [1,0,0,1,0,0|1,0,1]=4 793 B7R1.4 O=C1C=CCC1=O CNP0612212.0 [1,0,0,1,0,0|1,0,1]=4 794 B7R1.24 C1=CCCCC=C1 CNP0610332.0 [1,0,0,1,0,0|0,0,1]=3 795 B9R1.7 CCCC1=CC(=O)CC1 CNP0248705.0 [0,1,0,1,0,0|0,0,0]=2 796 B9R1.7 CCCC1=CN=C(O1)C CNP0059425.0 [0,1,0,1,0,0|0,0,1]=3 797 B9R1.7 CCCC1=COC(=N1)C CNP0002752.0 [0,1,0,1,0,0|1,0,0]=3 798 B9R1.7 CCCC1=NC(=CO1)C CNP0002751.0 [0,1,0,1,0,0|1,0,0]=3 799 B9R1.7 CCCC1=NC=C(O1)C CNP0183724.0 [0,1,0,1,0,0|0,0,1]=3 800 B9R1.7 CCC[C@H]1CCC(=O)O1 CNP0172695.1 [0,1,0,1,0,0|1,0,1]=4 801 B9R1.7 CCOC1C=CC(=O)N1 CNP0590383.0 [0,1,0,1,0,0|1,0,0]=3 802 B9R1.7 NCCN1C=CC(=O)O1 CNP0169742.0 [0,1,0,1,0,0|2,0,0]=4 803 B9R1.13 CC(=O)CN1CCCC1 CNP0397826.0 [0,1,0,1,0,0|0,0,2]=4 804 B9R1.13 CC(=O)C[C@@H]1CCCN1 CNP0147247.2 [0,1,0,1,0,0|0,0,2]=4 805 B9R1.13 CC(=O)C[C@H]1CCCN1 CNP0147247.1 [0,1,0,1,0,0|0,0,2]=4 806 B9R1.13 CC(C)CC1=CCCC1 CNP0610558.0 [0,1,0,1,0,0|1,0,1]=4 807 B9R1.22 CC1=CC(=O)O[C@H]1CO CNP0209931.1 [0,1,0,1,0,0|2,0,0]=4 808 B9R1.22 O=C1C=C(C(O1)CO)O CNP0517348.0 [0,1,0,1,0,0|2,0,0]=4 809 B9R1.34 CC1=CC(=O)CC(C1)C CNP0386862.0 [0,1,0,1,0,0|0,0,0]=2 810 B9R1.34 C[C@@H]1CC(=CC(=O)O1)O CNP0195692.1 [0,1,0,1,0,0|1,0,0]=3 811 B9R1.34 C[C@H]1CC(=CC(=O)O1)O CNP0195692.2 [0,1,0,1,0,0|1,0,0]=3 812 B9R1.41 CC(=O)C1=C(C=CO1)C CNP0146307.0 [0,1,0,1,0,0|0,0,2]=4 813 B9R1.41 CC(=O)C1=C(C=CS1)C CNP0290372.0 [0,1,0,1,0,0|0,0,2]=4 814 B9R1.41 CC(=O)C1=C(CCC1)C CNP0084970.0 [0,1,0,1,0,0|0,0,0]=2 815 B9R1.41 CC(=O)C1=CC=CN1C CNP0231933.0 [0,1,0,1,0,0|0,0,2]=4 816 B9R1.41 CC(=O)C1=CCC[C@H]1C CNP0246388.1 [0,1,0,1,0,0|0,0,0]=2 817 B9R1.41 CC(=O)C1=CNC=C1C CNP0286999.0 [0,1,0,1,0,0|0,0,2]=4 818 B9R1.41 CC(=O)C1CCC=C1C CNP0610486.0 [0,1,0,1,0,0|0,0,2]=4 819 B9R1.41 CC(=O)C1CCOC1=O CNP0411848.0 [0,1,0,1,0,0|1,0,1]=4 820 B9R1.41 NC(=O)N1CCCC1=O CNP0193817.0 [0,1,0,1,0,0|2,0,0]=4 821 B9R1.41 O=C(O)N1CCCC1=O CNP0088387.0 [0,1,0,1,0,0|2,0,0]=4 822 B9R1.48 CC1=CC(=O)NCCC1 CNP0425910.0 [0,1,0,1,0,0|1,0,0]=3 823 B9R1.48 CC1CCCCC(=O)C1 CNP0513414.0 [0,1,0,1,0,0|0,0,2]=4 824 B9R1.48 C[C@H]1CCCCC(=O)O1 CNP0109717.1 [0,1,0,1,0,0|1,0,1]=4 825 B9R1.48 O=C1CCCCC(=O)C1 CNP0554115.0 [0,1,0,1,0,0|0,0,1]=3 826 B9R1.48 O=C1CCCCC(=O)O1 CNP0322939.0 [0,1,0,1,0,0|1,0,0]=3 827 B9R1.48 O=C1CCCNC(=O)N1 CNP0110595.0 [0,1,0,1,0,0|2,0,0]=4 828 B9R1.66 CC1(C=C(CCC1)O)C CNP0082060.0 [0,1,0,1,0,0|1,0,1]=4 829 B9R1.66 C[C@@]1(CCOC(=O)C1)O CNP0242599.2 [0,1,0,1,0,0|1,0,1]=4 830 B9R1.66 C[C@H]1CC=CC(C1)(C)C CNP0096572.1 [0,1,0,1,0,0|1,0,1]=4 831 B9R1.66 C[C@]1(CCOC(=O)C1)O CNP0242599.1 [0,1,0,1,0,0|1,0,1]=4 832 B9R1.1 CCC1=CC=C(C=C1)C CNP0119285.0 [0,1,0,1,0,0|1,0,1]=4 833 B9R1.1 CCC1=CC=C(C=N1)C CNP0185750.0 [0,1,0,1,0,0|1,0,1]=4 834 B9R1.1 CCC1=CC=C(N=C1)C CNP0341471.0 [0,1,0,1,0,0|1,0,1]=4 835 B9R1.1 CCC1CCC(=O)CC1 CNP0599298.0 [0,1,0,1,0,0|0,0,2]=4 836 B9R1.1 CC[C@H]1CC=C(CC1)C CNP0192246.1 [0,1,0,1,0,0|1,0,1]=4 837 B9R1.2 CCC1=CC(=CC=N1)C CNP0220065.0 [0,1,0,1,0,0|1,0,1]=4 838 B9R1.2 CCC1=CC=CC(=C1)C CNP0313685.0 [0,1,0,1,0,0|1,0,1]=4 839 B9R1.2 CCC1=CC=CC(=N1)C CNP0315271.0 [0,1,0,1,0,0|1,0,1]=4 840 B9R1.2 CCC1=CC=NC(=C1)C CNP0209249.0 [0,1,0,1,0,0|1,0,1]=4 841 B9R1.2 CCC1=CN=CC(=C1)C CNP0150046.0 [0,1,0,1,0,0|1,0,1]=4 842 B9R1.2 CCC1=CN=CC(=N1)C CNP0156975.0 [0,1,0,1,0,0|1,0,1]=4 843 B9R1.3 C[C@@H]1OC=CC(=O)C1=O CNP0313434.1 [0,1,0,1,0,0|1,0,1]=4 844 B9R1.5 CC1CCCCCC1=O CNP0489162.0 [0,1,0,1,0,0|0,0,2]=4 845 B9R1.5 C[C@H]1CCCCOC1=O CNP0187217.1 [0,1,0,1,0,0|1,0,1]=4 846 B9R1.5 N[C@H]1CCCCNC1=O CNP0290610.1 [0,1,0,1,0,0|1,0,1]=4 847 B9R1.11 CCC(=O)C1=NCCC1 CNP0077976.0 [0,1,0,1,0,0|1,0,0]=3 848 B9R1.11 COC(=O)N1C=CCC1 CNP0029534.0 [0,1,0,1,0,0|1,0,1]=4 849 B9R1.11 COC(=O)[C@@H]1C=CCC1 CNP0166268.1 [0,1,0,1,0,0|0,0,2]=4 850 B9R1.11 COC(=O)[C@H]1CCCN1 CNP0150193.1 [0,1,0,1,0,0|1,0,1]=4 851 B9R1.21 CCC1=CC=C(O1)C=O CNP0610543.0 [0,1,0,1,0,0|1,0,1]=4 852 B9R1.50 C=C1C=CC=CCCC1 CNP0503411.0 [0,1,0,1,0,0|1,0,1]=4 853 B9R1.50 O=C1CCCCCCC1 CNP0203513.0 [0,1,0,1,0,0|0,0,2]=4 854 B9R1.6 CC(=C1CCCCC1)C CNP0493746.0 [0,1,0,1,0,0|1,0,1]=4 855 B9R1.6 CC(=O)C1=CCCCC1 CNP0565095.0 [0,1,0,1,0,0|0,0,0]=2 856 B9R1.6 CC(=O)C1=CCCCN1 CNP0423535.0 [0,1,0,1,0,0|0,0,0]=2 857 B9R1.6 CC(=O)C1=CSCCN1 CNP0003045.0 [0,1,0,1,0,0|1,0,0]=3 858 B9R1.6 CC(=O)C1=NCCCC1 CNP0342346.0 [0,1,0,1,0,0|0,0,1]=3 859 B9R1.6 CC(=O)C1CCCCC1 CNP0575614.0 [0,1,0,1,0,0|0,0,2]=4 860 B9R1.6 CC(=O)N1CCCCC1 CNP0165296.0 [0,1,0,1,0,0|0,0,2]=4 861 B9R1.6 CC(=O)N1CCOCC1 CNP0213616.0 [0,1,0,1,0,0|1,0,1]=4 862 B9R1.6 O=C(O)C1=CCCCC1 CNP0146896.0 [0,1,0,1,0,0|1,0,0]=3 863 B9R1.6 O=C(O)C1=CCCNC1 CNP0383811.0 [0,1,0,1,0,0|1,0,0]=3 864 B9R1.6 O=C(O)C1=CCNCC1 CNP0216340.0 [0,1,0,1,0,0|1,0,0]=3 865 B9R1.6 O=C(O)C1=COCCO1 CNP0147356.0 [0,1,0,1,0,0|2,0,0]=4 866 B9R1.6 O=C(O)C1=NCCCC1 CNP0002372.0 [0,1,0,1,0,0|1,0,1]=4 867 B9R1.6 O=C(O)[C@@H]1CCCC=N1 CNP0037714.1 [0,1,0,1,0,0|1,0,1]=4 868 B9R1.23 CC1=CC(OC1=O)CCl CNP0359086.0 [0,1,0,1,0,0|2,0,0]=4 869 B9R1.23 CC[C@H]1C=C(C(=O)C1)O CNP0284446.1 [0,1,0,1,0,0|0,0,0]=2 870 B9R1.35 CC(=O)C1=CC=C(O1)C CNP0316616.0 [0,1,0,1,0,0|0,0,2]=4 871 B9R1.35 CC(=O)C1=CC=C(S1)C CNP0184768.0 [0,1,0,1,0,0|0,0,2]=4 872 B9R1.35 CC(=O)C1=CN(C=C1)C CNP0609118.0 [0,1,0,1,0,0|1,0,1]=4 873 B9R1.35 CC(=O)C1=CN=C(O1)C CNP0541227.0 [0,1,0,1,0,0|1,0,1]=4 874 B9R1.35 CC(C)[C@H]1C=CC(=O)N1 CNP0479799.1 [0,1,0,1,0,0|1,0,0]=3 875 B9R1.35 CC(C)[C@H]1C=CC(=O)O1 CNP0264367.1 [0,1,0,1,0,0|1,0,0]=3 876 B9R1.35 CC(O)C1COC(=O)C1 CNP0564312.0 [0,1,0,1,0,0|1,0,1]=4 877 B9R1.35 CC1=CC=C(O1)C(C)C CNP0259912.0 [0,1,0,1,0,0|0,0,2]=4 878 B9R1.35 C[C@@H](O)[C@H]1C=CC(=O)O1 CNP0131918.2 [0,1,0,1,0,0|1,0,0]=3 879 B9R1.35 C[C@H](O)[C@H]1C=CC(=O)O1 CNP0131918.1 [0,1,0,1,0,0|1,0,0]=3 880 B9R1.35 O=C(O)C1=NCC(C1)O CNP0083616.0 [0,1,0,1,0,0|2,0,0]=4 881 B9R1.69 CC1C=CC(=O)CC1C CNP0611987.0 [0,1,0,1,0,0|0,0,0]=2 882 B9R1.69 CC1CC(=O)OCC1O CNP0415088.0 [0,1,0,1,0,0|1,0,1]=4 883 B9R1.69 C[C@@H]1CC(=O)C=CC1=O CNP0273693.1 [0,1,0,1,0,0|0,0,1]=3 884 B9R1.69 C[C@@H]1OC(=O)C=C[C@H]1O CNP0277618.1 [0,1,0,1,0,0|1,0,0]=3 885 B9R1.69 C[C@H]1OC(=O)C=C[C@@H]1O CNP0277618.2 [0,1,0,1,0,0|1,0,0]=3 886 B9R1.69 C[C@H]1OC(=O)C=C[C@H]1O CNP0277618.3 [0,1,0,1,0,0|1,0,0]=3 887 B9R1.110 O=C(O)C(=O)N1CCC1 CNP0339837.0 [0,1,0,1,0,0|2,0,0]=4 888 B9R1.10 CC1(C=CC(CC1)O)C CNP0533712.0 [0,1,0,1,0,0|1,0,1]=4 889 B9R1.125 C=C[C@@]1(C=CC(=O)C1)O CNP0166011.1 [0,1,0,1,0,0|0,0,2]=4 890 B9R1.125 C=C[C@]1(C=CC(=O)C1)O CNP0166011.2 [0,1,0,1,0,0|0,0,2]=4 891 B9R1.125 CCC1(COC(=O)C1)C CNP0300906.0 [0,1,0,1,0,0|1,0,1]=4 892 B9R1.125 C[C@@]1(C=CC(=O)O1)CO CNP0110252.1 [0,1,0,1,0,0|2,0,0]=4 893 B9R2.39 O=C1C[C@H]2CC[C@@H]1C2 CNP0573835.1 [0,0,0,2,0,0|0,0,2]=4 894 B9R2.109 O=C1CCCC2C1O2 CNP0592091.0 [0,0,0,2,0,0|1,0,1]=4 895 B9R2.109 O=C1NCCC2C1C2 CNP0426975.0 [0,0,0,2,0,0|1,0,1]=4