0 B7R0.1 C=CC=CC=CCC CNP0261432.0 [0,0,0,0,0,0|2,0,2]=4 1 B7R0.1 C=CC=CCCCC CNP0084214.0 [0,0,0,0,0,0|2,0,1]=3 2 B7R0.1 C=CCCCC=CC CNP0076717.0 [0,0,0,0,0,0|2,0,2]=4 3 B7R0.1 C=CCCCCC=C CNP0118215.0 [0,0,0,0,0,0|2,0,2]=4 4 B7R0.1 C=CCCCCCC CNP0246919.0 [0,0,0,0,0,0|2,0,0]=2 5 B7R0.1 C=CCCCCCO CNP0075956.0 [0,0,0,0,0,0|3,0,0]=3 6 B7R0.1 C=CCSSC=CC CNP0226902.0 [0,0,0,0,0,0|0,0,2]=2 7 B7R0.1 C=CCSSCC=C CNP0311793.0 [0,0,0,0,0,0|0,0,2]=2 8 B7R0.1 C=CCSSCCC CNP0170059.0 [0,0,0,0,0,0|0,0,0]=0 9 B7R0.1 C=CCSSSSC CNP0120884.0 [0,0,0,0,0,0|2,0,0]=2 10 B7R0.1 CC=CC=CCCC CNP0275494.0 [0,0,0,0,0,0|2,0,2]=4 11 B7R0.1 CC=CCCCCC CNP0199237.0 [0,0,0,0,0,0|2,0,2]=4 12 B7R0.1 CC=CCSCCC CNP0536250.0 [0,0,0,0,0,0|1,0,2]=3 13 B7R0.1 CC=CSSC=CC CNP0204440.0 [0,0,0,0,0,0|0,0,4]=4 14 B7R0.1 CC=CSSCCC CNP0421889.0 [0,0,0,0,0,0|0,0,2]=2 15 B7R0.1 CC=CSSSSC CNP0003491.0 [0,0,0,0,0,0|2,0,2]=4 16 B7R0.1 CCC=CCCC=O CNP0265888.0 [0,0,0,0,0,0|3,0,1]=4 17 B7R0.1 CCCC#CCCC CNP0381743.0 [0,0,0,0,0,0|2,0,2]=4 18 B7R0.1 CCCC=CC=CO CNP0524724.0 [0,0,0,0,0,0|3,0,1]=4 19 B7R0.1 CCCC=CCC=O CNP0201799.0 [0,0,0,0,0,0|3,0,0]=3 20 B7R0.1 CCCC=CCCC CNP0541880.0 [0,0,0,0,0,0|2,0,2]=4 21 B7R0.1 CCCC=CCCO CNP0287313.0 [0,0,0,0,0,0|3,0,1]=4 22 B7R0.1 CCCCC=CC=O CNP0210810.0 [0,0,0,0,0,0|3,0,1]=4 23 B7R0.1 CCCCCCC#N CNP0186663.0 [0,0,0,0,0,0|3,0,1]=4 24 B7R0.1 CCCCCCC=O CNP0243745.0 [0,0,0,0,0,0|3,0,0]=3 25 B7R0.1 CCCCCCCC CNP0286567.0 [0,0,0,0,0,0|2,0,2]=4 26 B7R0.1 CCCCCCCN CNP0186919.0 [0,0,0,0,0,0|3,0,1]=4 27 B7R0.1 CCCCCCCO CNP0329737.0 [0,0,0,0,0,0|3,0,1]=4 28 B7R0.1 CCCCCCNC CNP0413437.0 [0,0,0,0,0,0|3,0,1]=4 29 B7R0.1 CCCCCOC=O CNP0294368.0 [0,0,0,0,0,0|4,0,0]=4 30 B7R0.1 CCCCN=CC=S CNP0423600.0 [0,0,0,0,0,0|3,0,1]=4 31 B7R0.1 CCCCNCCO CNP0185911.0 [0,0,0,0,0,0|3,0,1]=4 32 B7R0.1 CCCCOCCO CNP0080154.0 [0,0,0,0,0,0|2,1,1]=4 33 B7R0.1 CCCC[N+]=CC=S CNP0578229.0 [0,0,0,0,0,0|3,0,1]=4 34 B7R0.1 CCCSSCCC CNP0328321.0 [0,0,0,0,0,0|0,0,2]=2 35 B7R0.1 CCCSSSCC CNP0094065.0 [0,0,0,0,0,0|1,0,2]=3 36 B7R0.1 CCCSSSSC CNP0552237.0 [0,0,0,0,0,0|2,0,1]=3 37 B7R0.1 CSCSSCSC CNP0179583.0 [0,0,0,0,0,0|2,0,1]=3 38 B7R0.1 NCCSSCCN CNP0340186.0 [0,0,0,0,0,0|2,0,1]=3 39 B7R0.1 OCCCSCCO CNP0079791.0 [0,0,0,0,0,0|3,0,1]=4 40 B7R0.1 OCCSSCCO CNP0279278.0 [0,0,0,0,0,0|2,0,1]=3 41 B6R0.6 C=CC=CCCC CNP0526826.0 [1,0,0,0,0,0|1,0,1]=3 42 B6R0.6 C=CCCC=CC CNP0426808.0 [1,0,0,0,0,0|1,0,2]=4 43 B6R0.6 C=CCCCC#N CNP0287374.0 [1,0,0,0,0,0|2,0,1]=4 44 B6R0.6 C=CCCCC=C CNP0115869.0 [1,0,0,0,0,0|1,0,2]=4 45 B6R0.6 C=CCCCCC CNP0226691.0 [1,0,0,0,0,0|1,0,0]=2 46 B6R0.6 C=CCCCCO CNP0162421.0 [1,0,0,0,0,0|2,0,0]=3 47 B6R0.6 C=CCCSC#N CNP0532187.0 [1,0,0,0,0,0|2,0,1]=4 48 B6R0.6 C=CCNCC=C CNP0443858.0 [1,0,0,0,0,0|1,0,2]=4 49 B6R0.6 C=CCOCCO CNP0248950.0 [1,0,0,0,0,0|1,1,0]=3 50 B6R0.6 C=CCSCC=C CNP0303954.0 [1,0,0,0,0,0|0,0,2]=3 51 B6R0.6 C=CCSCCC CNP0150756.0 [1,0,0,0,0,0|0,0,0]=1 52 B6R0.6 C=CCSSSC CNP0338885.0 [1,0,0,0,0,0|1,0,0]=2 53 B6R0.6 C=CCSSSS CNP0003499.0 [1,0,0,0,0,0|2,0,0]=3 54 B6R0.6 C=COCCCC CNP0077236.0 [1,0,0,0,0,0|1,1,0]=3 55 B6R0.6 CC=CCCCC CNP0158475.0 [1,0,0,0,0,0|1,0,2]=4 56 B6R0.6 CC=CCSCC CNP0575773.0 [1,0,0,0,0,0|1,0,2]=4 57 B6R0.6 CC=CSCCC CNP0320861.0 [1,0,0,0,0,0|0,0,2]=3 58 B6R0.6 CC=CSSCC CNP0418756.0 [1,0,0,0,0,0|0,0,2]=3 59 B6R0.6 CC=CSSSC CNP0265306.0 [1,0,0,0,0,0|1,0,2]=4 60 B6R0.6 CCC=CCC=O CNP0227189.0 [1,0,0,0,0,0|2,0,1]=4 61 B6R0.6 CCC=CCCC CNP0391454.0 [1,0,0,0,0,0|2,0,1]=4 62 B6R0.6 CCCC#CCO CNP0314465.0 [1,0,0,0,0,0|3,0,0]=4 63 B6R0.6 CCCC=CC=O CNP0263913.0 [1,0,0,0,0,0|2,0,1]=4 64 B6R0.6 CCCC=CCO CNP0254124.0 [1,0,0,0,0,0|3,0,0]=4 65 B6R0.6 CCCCC=CO CNP0511187.0 [1,0,0,0,0,0|2,0,1]=4 66 B6R0.6 CCCCCC#N CNP0412353.0 [1,0,0,0,0,0|2,0,1]=4 67 B6R0.6 CCCCCC=O CNP0304790.0 [1,0,0,0,0,0|2,0,0]=3 68 B6R0.6 CCCCCCC CNP0290800.0 [1,0,0,0,0,0|1,0,2]=4 69 B6R0.6 CCCCCCN CNP0213933.0 [1,0,0,0,0,0|2,0,1]=4 70 B6R0.6 CCCCCCO CNP0317600.0 [1,0,0,0,0,0|2,0,1]=4 71 B6R0.6 CCCCCCS CNP0167948.0 [1,0,0,0,0,0|2,0,1]=4 72 B6R0.6 CCCCCC[O-] CNP0579903.0 [1,0,0,0,0,0|2,0,1]=4 73 B6R0.6 CCCCCNC CNP0276164.0 [1,0,0,0,0,0|2,0,1]=4 74 B6R0.6 CCCCCOC CNP0358174.0 [1,0,0,0,0,0|2,0,1]=4 75 B6R0.6 CCCCCSC CNP0293012.0 [1,0,0,0,0,0|2,0,1]=4 76 B6R0.6 CCCCCSS CNP0228282.0 [1,0,0,0,0,0|3,0,0]=4 77 B6R0.6 CCCCNC=O CNP0082472.0 [1,0,0,0,0,0|3,0,0]=4 78 B6R0.6 CCCCOC=O CNP0282325.0 [1,0,0,0,0,0|2,1,0]=4 79 B6R0.6 CCCCSSC CNP0532819.0 [1,0,0,0,0,0|2,0,1]=4 80 B6R0.6 CCCNCCC CNP0129820.0 [1,0,0,0,0,0|1,0,2]=4 81 B6R0.6 CCCOCCO CNP0079853.0 [1,0,0,0,0,0|1,1,1]=4 82 B6R0.6 CCCSCCC CNP0173387.0 [1,0,0,0,0,0|0,0,2]=3 83 B6R0.6 CCCSSCC CNP0322971.0 [1,0,0,0,0,0|0,0,1]=2 84 B6R0.6 CCCSSSC CNP0104471.0 [1,0,0,0,0,0|1,0,1]=3 85 B6R0.6 CCSCCCO CNP0355297.0 [1,0,0,0,0,0|2,0,1]=4 86 B6R0.6 CCSSCSC CNP0003140.0 [1,0,0,0,0,0|1,0,1]=3 87 B6R0.6 CCSSSCC CNP0196220.0 [1,0,0,0,0,0|1,0,1]=3 88 B6R0.6 CSCCCC=O CNP0002814.0 [1,0,0,0,0,0|3,0,0]=4 89 B6R0.6 NCCCCC=O CNP0083786.0 [1,0,0,0,0,0|3,0,0]=4 90 B6R0.6 OCCSCCO CNP0335773.0 [1,0,0,0,0,0|2,0,1]=4 91 B8R0.1 C/C=C/S[S@@+]([O-])CCC CNP0575690.1 [0,1,0,0,0,0|0,0,3]=4 92 B8R0.1 C/C=C/S[S@@H+]([O-])CCC CNP0552206.2 [0,1,0,0,0,0|0,0,3]=4 93 B8R0.1 C/C=C\S[S@@+]([O-])CCC CNP0575690.2 [0,1,0,0,0,0|0,0,3]=4 94 B8R0.1 C/C=C\S[S@@H+]([O-])CCC CNP0552206.1 [0,1,0,0,0,0|0,0,3]=4 95 B8R0.1 C=CCC(O)CCCC CNP0566566.0 [0,1,0,0,0,0|2,0,0]=3 96 B8R0.1 C=CCCC(=O)OCC CNP0003358.0 [0,1,0,0,0,0|3,0,0]=4 97 B8R0.1 C=CCC[C@@H](O)CCC CNP0196626.2 [0,1,0,0,0,0|2,0,0]=3 98 B8R0.1 C=CCC[C@H](O)CCC CNP0196626.1 [0,1,0,0,0,0|2,0,0]=3 99 B8R0.1 C=CCOC(=O)CCC CNP0002468.0 [0,1,0,0,0,0|1,1,0]=3 100 B8R0.1 C=CCOS(=S)CCC CNP0539832.0 [0,1,0,0,0,0|0,1,1]=3 101 B8R0.1 C=CCS(=S)OCCC CNP0529420.0 [0,1,0,0,0,0|0,1,1]=3 102 B8R0.1 C=CCS[S+]([O-])C=CC CNP0569294.0 [0,1,0,0,0,0|0,0,3]=4 103 B8R0.1 C=CCS[S+]([O-])CCC CNP0600952.0 [0,1,0,0,0,0|0,0,1]=2 104 B8R0.1 C=CCS[S@+]([O-])CC=C CNP0527119.1 [0,1,0,0,0,0|0,0,3]=4 105 B8R0.1 C=CCS[S@@+]([O-])CC=C CNP0527119.2 [0,1,0,0,0,0|0,0,3]=4 106 B8R0.1 C=CCS[S@H+]([O-])CC=C CNP0584526.1 [0,1,0,0,0,0|0,0,3]=4 107 B8R0.1 C=CC[S+]([O-])SCCC CNP0550050.0 [0,1,0,0,0,0|0,0,1]=2 108 B8R0.1 C=CC[S@+]([O-])S/C=C/C CNP0533646.3 [0,1,0,0,0,0|0,0,3]=4 109 B8R0.1 C=CC[S@@+]([O-])S/C=C/C CNP0533646.1 [0,1,0,0,0,0|0,0,3]=4 110 B8R0.1 C=CC[S@@+]([O-])S/C=C\C CNP0533646.2 [0,1,0,0,0,0|0,0,3]=4 111 B8R0.1 C=CC[S@@H+]([O-])S/C=C/C CNP0546309.2 [0,1,0,0,0,0|0,0,3]=4 112 B8R0.1 C=CC[S@@H+]([O-])S/C=C\C CNP0546309.1 [0,1,0,0,0,0|0,0,3]=4 113 B8R0.1 CC=C[S+]([O-])SCCC CNP0526768.0 [0,1,0,0,0,0|0,0,3]=4 114 B8R0.1 CCCS[S+]([O-])CCC CNP0505813.0 [0,1,0,0,0,0|0,0,3]=4 115 B8R0.1 CCCS[S@+]([O-])CCC CNP0505813.1 [0,1,0,0,0,0|0,0,3]=4 116 B8R0.4 C=CC=CCCCCC CNP0389218.0 [0,1,0,0,0,0|2,0,1]=4 117 B8R0.4 C=CCCCCCC=C CNP0320273.0 [0,1,0,0,0,0|2,0,1]=4 118 B8R0.4 C=CCCCCCC=O CNP0184185.0 [0,1,0,0,0,0|2,0,1]=4 119 B8R0.4 C=CCCCCCCC CNP0317850.0 [0,1,0,0,0,0|2,0,0]=3 120 B8R0.4 C=CCCCCCCO CNP0610530.0 [0,1,0,0,0,0|2,0,0]=3 121 B8R0.4 C=CCSSC=CC=O CNP0182534.0 [0,1,0,0,0,0|0,0,3]=4 122 B8R0.4 C=CCSSSC=CC CNP0030304.0 [0,1,0,0,0,0|0,0,2]=3 123 B8R0.4 C=CCSSSCC=C CNP0285098.0 [0,1,0,0,0,0|0,0,2]=3 124 B8R0.4 C=CCSSSCCC CNP0080526.0 [0,1,0,0,0,0|0,0,0]=1 125 B8R0.4 C=CCSSSSSC CNP0142142.0 [0,1,0,0,0,0|2,0,0]=3 126 B8R0.4 CC=CC#CCCCC CNP0343796.0 [0,1,0,0,0,0|2,0,1]=4 127 B8R0.4 CC=CCCCCCC CNP0241269.0 [0,1,0,0,0,0|2,0,0]=3 128 B8R0.4 CC=CCCCCCO CNP0534658.0 [0,1,0,0,0,0|3,0,0]=4 129 B8R0.4 CC=CCSCC=CC CNP0134379.0 [0,1,0,0,0,0|1,0,2]=4 130 B8R0.4 CC=CSSCCCC CNP0612155.0 [0,1,0,0,0,0|0,0,2]=3 131 B8R0.4 CC=CSSSC=CC CNP0003497.0 [0,1,0,0,0,0|1,0,2]=4 132 B8R0.4 CC=CSSSCCC CNP0003371.0 [0,1,0,0,0,0|1,0,0]=2 133 B8R0.4 CC=CSSSSSC CNP0574641.0 [0,1,0,0,0,0|3,0,0]=4 134 B8R0.4 CCCC=CC=CC=O CNP0226923.0 [0,1,0,0,0,0|2,0,1]=4 135 B8R0.4 CCCC=CCOC=O CNP0131807.0 [0,1,0,0,0,0|3,0,0]=4 136 B8R0.4 CCCCC=CCC=O CNP0207183.0 [0,1,0,0,0,0|3,0,0]=4 137 B8R0.4 CCCCCC=CC=O CNP0192932.0 [0,1,0,0,0,0|2,0,1]=4 138 B8R0.4 CCCCCCC=CO CNP0605778.0 [0,1,0,0,0,0|2,0,0]=3 139 B8R0.4 CCCCCCC=NO CNP0389770.0 [0,1,0,0,0,0|3,0,0]=4 140 B8R0.4 CCCCCCCC=O CNP0146292.0 [0,1,0,0,0,0|2,0,1]=4 141 B8R0.4 CCCCCCC[11CH]=O CNP0546456.0 [0,1,0,0,0,0|2,0,1]=4 142 B8R0.4 CCCCCCOC=O CNP0086211.0 [0,1,0,0,0,0|3,0,0]=4 143 B8R0.4 CCCCSCCCC CNP0370059.0 [0,1,0,0,0,0|1,0,2]=4 144 B8R0.4 CCCCSSCCC CNP0003137.0 [0,1,0,0,0,0|0,0,2]=3 145 B8R0.4 CCCSSSCCC CNP0085911.0 [0,1,0,0,0,0|0,0,2]=3 146 B8R0.4 CCCSSSSSC CNP0528217.0 [0,1,0,0,0,0|2,0,1]=4 147 B8R0.4 OCCSSSCCO CNP0187126.0 [0,1,0,0,0,0|2,0,1]=4 148 B8R0.6 C/C=C/SS[C@@H](C)CC CNP0144239.2 [0,1,0,0,0,0|0,0,2]=3 149 B8R0.6 C/C=C/SS[C@H](C)CC CNP0144239.1 [0,1,0,0,0,0|0,0,2]=3 150 B8R0.6 C=C/C=C/C[C@@H](O)CC CNP0111880.1 [0,1,0,0,0,0|2,0,1]=4 151 B8R0.6 C=CC(=O)CCCCC CNP0297364.0 [0,1,0,0,0,0|2,0,1]=4 152 B8R0.6 C=CC(=O)OCCCC CNP0191898.0 [0,1,0,0,0,0|1,1,1]=4 153 B8R0.6 C=C[C@@H](O)/C=C/CCC CNP0182495.1 [0,1,0,0,0,0|2,0,0]=3 154 B8R0.6 C=C[C@@H](O)C/C=C/CC CNP0227768.1 [0,1,0,0,0,0|2,0,1]=4 155 B8R0.6 C=C[C@@H](O)C/C=C\CC CNP0227768.2 [0,1,0,0,0,0|2,0,1]=4 156 B8R0.6 C=C[C@@H](O)CCCCC CNP0246419.1 [0,1,0,0,0,0|2,0,0]=3 157 B8R0.6 C=C[C@H](O)C/C=C/CC CNP0227768.4 [0,1,0,0,0,0|2,0,1]=4 158 B8R0.6 C=C[C@H](O)C/C=C\CC CNP0227768.3 [0,1,0,0,0,0|2,0,1]=4 159 B8R0.6 C=C[C@H](O)CCCCC CNP0246419.2 [0,1,0,0,0,0|2,0,0]=3 160 B8R0.6 CCCSSC(C)CC CNP0570615.0 [0,1,0,0,0,0|0,0,2]=3 161 B8R0.7 C=C(O)CCCCCC CNP0584840.0 [0,1,0,0,0,0|2,0,0]=3 162 B8R0.7 C=CCCCCC(=O)C CNP0179576.0 [0,1,0,0,0,0|2,0,1]=4 163 B8R0.7 C=CCCCCC(C)O CNP0002843.0 [0,1,0,0,0,0|2,0,0]=3 164 B8R0.7 C=CCSSCC(=O)N CNP0415919.0 [0,1,0,0,0,0|1,0,1]=3 165 B8R0.7 CC(C)CCCCC=O CNP0244483.0 [0,1,0,0,0,0|3,0,0]=4 166 B8R0.7 CCCCCCC(=O)C CNP0325160.0 [0,1,0,0,0,0|2,0,1]=4 167 B8R0.7 CCCCCCC(=O)Cl CNP0211048.0 [0,1,0,0,0,0|3,0,0]=4 168 B8R0.7 CCCCCCC(=O)N CNP0248097.0 [0,1,0,0,0,0|3,0,0]=4 169 B8R0.7 CCCCCCC(=O)O CNP0141686.0 [0,1,0,0,0,0|3,0,0]=4 170 B8R0.7 CCCCOCC(=O)O CNP0524848.0 [0,1,0,0,0,0|2,1,0]=4 171 B8R0.7 CCCOCCC(=O)C CNP0376956.0 [0,1,0,0,0,0|1,1,1]=4 172 B8R0.7 CSCSSC[S@@+](C)[O-] CNP0517163.1 [0,1,0,0,0,0|2,0,1]=4 173 B8R0.7 CSCSSC[S@@H+](C)[O-] CNP0539489.1 [0,1,0,0,0,0|2,0,1]=4 174 B8R1.2 BrC[C@@H]1C=CCCC1 CNP0302852.1 [0,0,0,1,0,0|3,0,0]=4 175 B8R1.2 C=CC1=CCCCC1 CNP0552641.0 [0,0,0,1,0,0|2,0,1]=4 176 B8R1.2 C=CC1=CCSSS1 CNP0243134.0 [0,0,0,1,0,0|1,0,2]=4 177 B8R1.2 C=C[C@@H]1C=CCSS1 CNP0412090.1 [0,0,0,1,0,0|0,0,2]=3 178 B8R1.2 C=C[C@@H]1CC=CSS1 CNP0360143.2 [0,0,0,1,0,0|0,0,2]=3 179 B8R1.2 C=C[C@@H]1SC=CCS1 CNP0202144.2 [0,0,0,1,0,0|2,0,1]=4 180 B8R1.2 C=C[C@H]1C=CCSS1 CNP0412090.2 [0,0,0,1,0,0|0,0,2]=3 181 B8R1.2 C=C[C@H]1CC=CSS1 CNP0360143.1 [0,0,0,1,0,0|0,0,2]=3 182 B8R1.2 C=C[C@H]1SC=CCS1 CNP0202144.1 [0,0,0,1,0,0|2,0,1]=4 183 B8R1.2 CC[C@@H]1C=CCSS1 CNP0292362.1 [0,0,0,1,0,0|0,0,0]=1 184 B8R1.2 CC[C@@H]1CC=CSS1 CNP0334028.1 [0,0,0,1,0,0|0,0,2]=3 185 B8R1.2 CC[C@H]1C=CCCC1 CNP0103483.1 [0,0,0,1,0,0|2,0,0]=3 186 B8R1.2 O=CC1CCCCC1 CNP0419979.0 [0,0,0,1,0,0|3,0,0]=4 187 B8R1.2 OCC1C=CCCC1 CNP0213790.0 [0,0,0,1,0,0|3,0,0]=4 188 B8R1.5 C=C1CCCCC1C CNP0595985.0 [0,0,0,1,0,0|2,0,0]=3 189 B8R1.5 CC1CCCCC1=O CNP0003363.0 [0,0,0,1,0,0|3,0,0]=4 190 B8R1.5 O[C@@H]1CSSC[C@H]1O CNP0508118.1 [0,0,0,1,0,0|2,0,1]=4 191 B8R1.5 O[C@H]1CSSC[C@@H]1O CNP0508118.2 [0,0,0,1,0,0|2,0,1]=4 192 B8R1.8 CCCC1=CC=CO1 CNP0301120.0 [0,0,0,1,0,0|1,1,1]=4 193 B8R1.8 CCCC1=CC=CS1 CNP0076464.0 [0,0,0,1,0,0|1,0,1]=3 194 B8R1.8 CCCC1NCCS1 CNP0002551.0 [0,0,0,1,0,0|2,0,1]=4 195 B8R1.8 CCCN1C=CC=C1 CNP0269776.0 [0,0,0,1,0,0|2,0,1]=4 196 B8R1.8 OCCC1=CC=CS1 CNP0577450.0 [0,0,0,1,0,0|2,0,1]=4 197 B8R1.11 CCC1CCCC1=O CNP0494839.0 [0,0,0,1,0,0|3,0,0]=4 198 B8R1.11 CCC1SCCC1=O CNP0185206.0 [0,0,0,1,0,0|2,0,0]=3 199 B8R1.22 O=C1CC=CCCC1 CNP0354385.0 [0,0,0,1,0,0|3,0,0]=4 200 B8R1.22 O=C1CCCCCC1 CNP0486939.0 [0,0,0,1,0,0|3,0,0]=4 201 B8R1.49 C1#CCCC=CCC1 CNP0593767.0 [0,0,0,1,0,0|2,0,1]=4 202 B8R1.49 C1=CCCCCC=C1 CNP0084968.0 [0,0,0,1,0,0|2,0,1]=4 203 B8R1.49 C1=CCCCCCC1 CNP0354381.0 [0,0,0,1,0,0|2,0,0]=3 204 B8R1.49 C1SCSSCSS1 CNP0188648.0 [0,0,0,1,0,0|3,0,0]=4 205 B5R0.2 C=CC=CCC CNP0495438.0 [2,0,0,0,0,0|0,0,2]=4 206 B5R0.2 C=CCC=CC CNP0292090.0 [2,0,0,0,0,0|0,0,2]=4 207 B5R0.2 C=CCCC#N CNP0248596.0 [2,0,0,0,0,0|1,0,1]=4 208 B5R0.2 C=CCCC=C CNP0079781.0 [2,0,0,0,0,0|0,0,2]=4 209 B5R0.2 C=CCCC=O CNP0076959.0 [2,0,0,0,0,0|1,0,1]=4 210 B5R0.2 C=CCCCC CNP0264947.0 [2,0,0,0,0,0|0,0,0]=2 211 B5R0.2 C=CCCCO CNP0003396.0 [2,0,0,0,0,0|1,0,0]=3 212 B5R0.2 C=CCSC#N CNP0391044.0 [2,0,0,0,0,0|1,0,1]=4 213 B5R0.2 C=CCSCC CNP0261096.0 [2,0,0,0,0,0|0,0,0]=2 214 B5R0.2 C=CCSSC CNP0333880.0 [2,0,0,0,0,0|0,0,0]=2 215 B5R0.2 C=CSSCC CNP0003136.0 [2,0,0,0,0,0|0,0,0]=2 216 B5R0.2 CC=CCCC CNP0419577.0 [2,0,0,0,0,0|0,0,2]=4 217 B5R0.2 CC=CSSC CNP0214071.0 [2,0,0,0,0,0|0,0,2]=4 218 B5R0.2 CCC=CSC CNP0068372.0 [2,0,0,0,0,0|1,0,1]=4 219 B5R0.2 CCCC=CO CNP0247153.0 [2,0,0,0,0,0|1,0,1]=4 220 B5R0.2 CCCCC#N CNP0357663.0 [2,0,0,0,0,0|1,0,1]=4 221 B5R0.2 CCCCC=O CNP0361186.0 [2,0,0,0,0,0|1,0,0]=3 222 B5R0.2 CCCCCBr CNP0018690.0 [2,0,0,0,0,0|1,0,1]=4 223 B5R0.2 CCCCCC CNP0269021.0 [2,0,0,0,0,0|0,0,2]=4 224 B5R0.2 CCCCCI CNP0017763.0 [2,0,0,0,0,0|1,0,1]=4 225 B5R0.2 CCCCCN CNP0203183.0 [2,0,0,0,0,0|1,0,1]=4 226 B5R0.2 CCCCCO CNP0244882.0 [2,0,0,0,0,0|1,0,1]=4 227 B5R0.2 CCCCCS CNP0260876.0 [2,0,0,0,0,0|1,0,1]=4 228 B5R0.2 CCCCNC CNP0277639.0 [2,0,0,0,0,0|1,0,1]=4 229 B5R0.2 CCCCOC CNP0609033.0 [2,0,0,0,0,0|1,0,1]=4 230 B5R0.2 CCCCSC CNP0562965.0 [2,0,0,0,0,0|1,0,0]=3 231 B5R0.2 CCCC[S+]=O CNP0521772.0 [2,0,0,0,0,0|2,0,0]=4 232 B5R0.2 CCCOC=O CNP0326097.0 [2,0,0,0,0,0|1,1,0]=4 233 B5R0.2 CCCSC#N CNP0395197.0 [2,0,0,0,0,0|1,0,1]=4 234 B5R0.2 CCCSCC CNP0316215.0 [2,0,0,0,0,0|0,0,1]=3 235 B5R0.2 CCCSSC CNP0296815.0 [2,0,0,0,0,0|0,0,0]=2 236 B5R0.2 CCSCCN CNP0506731.0 [2,0,0,0,0,0|1,0,1]=4 237 B5R0.2 CCSSCC CNP0416624.0 [2,0,0,0,0,0|0,0,1]=3 238 B5R0.2 CCSSSC CNP0407481.0 [2,0,0,0,0,0|1,0,0]=3 239 B5R0.2 CSCCC=O CNP0136743.0 [2,0,0,0,0,0|2,0,0]=4 240 B5R0.2 CSCCCN CNP0348726.0 [2,0,0,0,0,0|2,0,0]=4 241 B5R0.2 CSCCCO CNP0359993.0 [2,0,0,0,0,0|2,0,0]=4 242 B5R0.2 CSCSSC CNP0313036.0 [2,0,0,0,0,0|1,0,0]=3 243 B5R0.2 CSSSSC CNP0225688.0 [2,0,0,0,0,0|2,0,0]=4 244 B5R0.2 NCCCC=O CNP0359033.0 [2,0,0,0,0,0|2,0,0]=4 245 B5R0.2 [C-]#[N+]CCCC CNP0522879.0 [2,0,0,0,0,0|1,0,1]=4 246 B7R0.3 C=CC(=CCCC)C CNP0605951.0 [1,1,0,0,0,0|1,0,1]=4 247 B7R0.3 C=CC(=O)CCCC CNP0083902.0 [1,1,0,0,0,0|1,0,1]=4 248 B7R0.3 C=CC(C)CCCC CNP0354372.0 [1,1,0,0,0,0|1,0,0]=3 249 B7R0.3 C=CC(Cl)CCCC CNP0275370.0 [1,1,0,0,0,0|1,0,0]=3 250 B7R0.3 C=CCC[C@@H](Br)CBr CNP0342549.2 [1,1,0,0,0,0|2,0,0]=4 251 B7R0.3 C=CCC[C@H](Br)CBr CNP0342549.1 [1,1,0,0,0,0|2,0,0]=4 252 B7R0.3 C=CCSC(=O)CC CNP0172366.0 [1,1,0,0,0,0|0,0,1]=3 253 B7R0.3 C=CCSS(=O)OC CNP0499912.0 [1,1,0,0,0,0|1,0,1]=4 254 B7R0.3 C=C[C@H](O)CCCC CNP0076908.1 [1,1,0,0,0,0|1,0,0]=3 255 B7R0.3 CCCC[C@@H](C)C=O CNP0315338.1 [1,1,0,0,0,0|2,0,0]=4 256 B7R0.3 CCCC[C@H](N)C=O CNP0526620.1 [1,1,0,0,0,0|2,0,0]=4 257 B7R0.3 CCCSC(S)CC CNP0370062.0 [1,1,0,0,0,0|0,0,2]=4 258 B7R0.3 CCSSC(C)CC CNP0075907.0 [1,1,0,0,0,0|0,0,1]=3 259 B7R0.3 CCSSC(C)SC CNP0003141.0 [1,1,0,0,0,0|1,0,1]=4 260 B7R0.3 CC[C@@H](C)SSSC CNP0173477.1 [1,1,0,0,0,0|1,0,1]=4 261 B7R0.4 C=C(O)CCCCC CNP0475201.0 [1,1,0,0,0,0|1,0,0]=3 262 B7R0.4 C=CCCCC(C)C CNP0359236.0 [1,1,0,0,0,0|1,0,0]=3 263 B7R0.4 CC=CSSC(C)C CNP0589450.0 [1,1,0,0,0,0|0,0,2]=4 264 B7R0.4 CCCCCC(=O)C CNP0240774.0 [1,1,0,0,0,0|1,0,1]=4 265 B7R0.4 CCCCCC(=O)N CNP0077222.0 [1,1,0,0,0,0|2,0,0]=4 266 B7R0.4 CCCCCC(=O)O CNP0210437.0 [1,1,0,0,0,0|2,0,0]=4 267 B7R0.4 CCCCCC(=S)O CNP0092443.0 [1,1,0,0,0,0|2,0,0]=4 268 B7R0.4 CCCCC[14C](=O)O CNP0563421.0 [1,1,0,0,0,0|2,0,0]=4 269 B7R0.4 CCCSCC(C)C CNP0116113.0 [1,1,0,0,0,0|0,0,2]=4 270 B7R0.4 CCCSOC(=O)C CNP0411356.0 [1,1,0,0,0,0|0,1,1]=4 271 B7R0.4 CCCSSC(C)C CNP0309421.0 [1,1,0,0,0,0|0,0,1]=3 272 B7R0.7 C=CCC(=CCC)C CNP0076324.0 [1,1,0,0,0,0|1,0,1]=4 273 B7R0.7 C=CCC(=O)OCC CNP0305215.0 [1,1,0,0,0,0|1,1,0]=4 274 B7R0.7 C=CCS(=O)OCC CNP0003495.0 [1,1,0,0,0,0|0,1,1]=4 275 B7R0.7 CCCC(C)CC=O CNP0405888.0 [1,1,0,0,0,0|2,0,0]=4 276 B7R0.7 CCC[C@@H](C)SCC CNP0322285.1 [1,1,0,0,0,0|1,0,1]=4 277 B9R0.4 C=CCOC(=O)CC(C)C CNP0131911.0 [0,2,0,0,0,0|1,1,0]=4 278 B9R0.5 C/C=C/[S@@+]([O-])SCCCC CNP0553305.1 [0,2,0,0,0,0|2,0,0]=4 279 B9R0.5 C/C=C/[S@@H+]([O-])SCCCC CNP0479452.1 [0,2,0,0,0,0|2,0,0]=4 280 B9R0.5 C=CCC(=O)CCCCC CNP0108996.0 [0,2,0,0,0,0|2,0,0]=4 281 B9R0.5 C=CCC(O)CCCCC CNP0609867.0 [0,2,0,0,0,0|2,0,0]=4 282 B9R0.5 CC=CCCC(=O)CCC CNP0280412.0 [0,2,0,0,0,0|2,0,0]=4 283 B9R0.5 CCCCC[C@H](O)/C=C/I CNP0530671.1 [0,2,0,0,0,0|2,0,0]=4 284 B9R0.18 C=CCOC(=O)CCCC CNP0003307.0 [0,2,0,0,0,0|1,1,0]=4 285 B9R0.48 C=C(C)COC(=O)CCC CNP0002915.0 [0,2,0,0,0,0|1,1,0]=4 286 B9R0.2 C=CCCCCCC(=O)C CNP0160913.0 [0,2,0,0,0,0|2,0,0]=4 287 B9R0.2 CC=CCSCCC(C)C CNP0480091.0 [0,2,0,0,0,0|1,0,0]=3 288 B9R0.2 CCCSSSCC(C)C CNP0003372.0 [0,2,0,0,0,0|0,0,2]=4 289 B9R0.45 C#CC=CCCCCCC CNP0397372.0 [0,2,0,0,0,0|2,0,0]=4 290 B9R0.45 C=CC=CCCCCCC CNP0513469.0 [0,2,0,0,0,0|2,0,0]=4 291 B9R0.45 C=CCCCCCCC=C CNP0335598.0 [0,2,0,0,0,0|2,0,0]=4 292 B9R0.45 C=CCCCCCCCC CNP0330037.0 [0,2,0,0,0,0|2,0,0]=4 293 B9R0.45 C=CCCCCCCCO CNP0326407.0 [0,2,0,0,0,0|2,0,0]=4 294 B9R0.45 C=CCSSSSC=CC CNP0003498.0 [0,2,0,0,0,0|0,0,2]=4 295 B9R0.45 C=CCSSSSCC=C CNP0292840.0 [0,2,0,0,0,0|0,0,2]=4 296 B9R0.45 C=CCSSSSSSC CNP0003492.0 [0,2,0,0,0,0|2,0,0]=4 297 B9R0.45 CC=CCSSCC=CC CNP0492007.0 [0,2,0,0,0,0|0,0,1]=3 298 B9R0.45 CC=CCSSCCCC CNP0548815.0 [0,2,0,0,0,0|0,0,0]=2 299 B9R0.45 CC=CSSSSCCC CNP0348405.0 [0,2,0,0,0,0|1,0,0]=3 300 B9R0.45 CCC=CCCCCCC CNP0223572.0 [0,2,0,0,0,0|2,0,0]=4 301 B9R0.45 CCCCCCC=CC=O CNP0163216.0 [0,2,0,0,0,0|2,0,0]=4 302 B9R0.45 CCCCCCC=CCO CNP0303395.0 [0,2,0,0,0,0|2,0,0]=4 303 B9R0.45 CCCCCCCC=CO CNP0085832.0 [0,2,0,0,0,0|2,0,0]=4 304 B9R0.45 CCCSSSSCCC CNP0232335.0 [0,2,0,0,0,0|0,0,2]=4 305 B9R0.45 CSCCSSCCSC CNP0608455.0 [0,2,0,0,0,0|0,0,2]=4 306 B9R0.45 OCCCSSCCCO CNP0182015.0 [0,2,0,0,0,0|0,0,2]=4 307 B9R0.46 C=CC(=O)CCCCCC CNP0199222.0 [0,2,0,0,0,0|2,0,0]=4 308 B9R0.46 C=CCCCCC(=O)CC CNP0107479.0 [0,2,0,0,0,0|2,0,0]=4 309 B9R0.46 C=C[C@@H](O)CCCCCC CNP0310616.2 [0,2,0,0,0,0|2,0,0]=4 310 B9R0.46 C=C[C@@H](O)CCCCCO CNP0167960.1 [0,2,0,0,0,0|2,0,0]=4 311 B9R0.46 C=C[C@H](O)CCCCCC CNP0310616.1 [0,2,0,0,0,0|2,0,0]=4 312 B9R0.46 C=C[C@H](O)CCCCCO CNP0167960.2 [0,2,0,0,0,0|2,0,0]=4 313 B9R0.46 CCCSSC[C@H](N)C=O CNP0579506.1 [0,2,0,0,0,0|0,0,1]=3 314 B9R0.1 C=CC(C)CCCC(C)C CNP0584628.0 [0,2,0,0,0,0|2,0,0]=4 315 B9R0.24 CC[C@@H](C)SS[C@H](C)CC CNP0145468.1 [0,2,0,0,0,0|0,0,2]=4 316 B9R0.47 CCCSC[C@H](N)C(=O)O CNP0231801.1 [0,2,0,0,0,0|2,0,0]=4 317 B9R0.50 C/C=C/SS[C@@H](CC)SC CNP0130055.1 [0,2,0,0,0,0|0,0,2]=4 318 B9R0.50 C/C=C/SS[C@H](CC)SC CNP0130055.2 [0,2,0,0,0,0|0,0,2]=4 319 B9R0.50 C=CC(CC)CCCCC CNP0538768.0 [0,2,0,0,0,0|2,0,0]=4 320 B9R0.50 C=CC(CCCCC)OO CNP0001521.0 [0,2,0,0,0,0|2,0,0]=4 321 B9R0.50 C=CCSSC(CC)CC CNP0604092.0 [0,2,0,0,0,0|0,0,0]=2 322 B9R0.50 CCCSSC(CC)SC CNP0201123.0 [0,2,0,0,0,0|0,0,2]=4 323 B9R0.55 CC(C)CSSCC(C)C CNP0113206.0 [0,2,0,0,0,0|0,0,2]=4 324 B7R1.1 C=CC1OCCO1 CNP0206238.0 [1,0,0,1,0,0|1,1,0]=4 325 B7R1.1 CCC1=CC=CS1 CNP0405107.0 [1,0,0,1,0,0|0,0,2]=4 326 B7R1.1 CCC1=CSC=C1 CNP0267198.0 [1,0,0,1,0,0|1,0,1]=4 327 B7R1.3 C=C1CCCCC1 CNP0312009.0 [1,0,0,1,0,0|1,0,0]=3 328 B7R1.3 CC1SCCSS1 CNP0344509.0 [1,0,0,1,0,0|1,0,1]=4 329 B7R1.3 C[C@@H]1C=CC=CS1 CNP0200304.1 [1,0,0,1,0,0|1,0,1]=4 330 B7R1.3 C[C@@H]1CCSSS1 CNP0310531.2 [1,0,0,1,0,0|1,0,1]=4 331 B7R1.3 C[C@H]1C=CC=CS1 CNP0200304.2 [1,0,0,1,0,0|1,0,1]=4 332 B7R1.3 C[C@H]1CCSSS1 CNP0310531.1 [1,0,0,1,0,0|1,0,1]=4 333 B7R1.3 C[C@H]1CSSSS1 CNP0251938.1 [1,0,0,1,0,0|2,0,0]=4 334 B7R1.3 O=C1CCCCC1 CNP0271526.0 [1,0,0,1,0,0|2,0,0]=4 335 B7R1.3 O[C@@H]1C=CCCC1 CNP0239826.2 [1,0,0,1,0,0|2,0,0]=4 336 B7R1.3 O[C@H]1C=CCCC1 CNP0239826.1 [1,0,0,1,0,0|2,0,0]=4 337 B7R1.3 [O-][S+]1CCCSC1 CNP0547147.0 [1,0,0,1,0,0|2,0,0]=4 338 B7R1.3 [O-][S@+]1CCSSC1 CNP0547050.1 [1,0,0,1,0,0|2,0,0]=4 339 B7R1.3 [O-][S@@H+]1CCSSC1 CNP0603900.1 [1,0,0,1,0,0|2,0,0]=4 340 B7R1.4 C=C1COC[C@H]1O CNP0219379.1 [1,0,0,1,0,0|1,1,0]=4 341 B7R1.4 CC1COCC1=O CNP0611227.0 [1,0,0,1,0,0|1,1,0]=4 342 B7R1.4 CC1SCCC1=O CNP0395315.0 [1,0,0,1,0,0|2,0,0]=4 343 B7R1.4 C[C@@H]1CCCC1=O CNP0165073.2 [1,0,0,1,0,0|2,0,0]=4 344 B7R1.4 C[C@@H]1CSS[C@H]1C CNP0278388.1 [1,0,0,1,0,0|0,0,1]=3 345 B7R1.4 C[C@H]1CCCC1=O CNP0165073.1 [1,0,0,1,0,0|2,0,0]=4 346 B7R1.6 CCC[C@@H]1CCS1 CNP0328925.1 [1,0,0,1,0,0|1,0,1]=4 347 B7R1.24 C1=CCCCC=C1 CNP0610332.0 [1,0,0,1,0,0|1,0,1]=4 348 B7R1.24 C1CSSSCS1 CNP0233647.0 [1,0,0,1,0,0|2,0,0]=4 349 B7R1.24 C1SCSSCS1 CNP0225166.0 [1,0,0,1,0,0|2,0,0]=4 350 B9R1.7 CCCC1=CC(=O)CC1 CNP0248705.0 [0,1,0,1,0,0|2,0,0]=4 351 B9R1.8 C=CCC1=NCCCC1 CNP0003401.0 [0,1,0,1,0,0|2,0,0]=4 352 B9R1.8 C=CCC1CCCCC1 CNP0156672.0 [0,1,0,1,0,0|2,0,0]=4 353 B9R1.8 C=CCN1CCCCC1 CNP0188708.0 [0,1,0,1,0,0|2,0,0]=4 354 B9R1.8 OCCC1C=CCCC1 CNP0071903.0 [0,1,0,1,0,0|2,0,0]=4 355 B9R1.12 NCCCN1C=CCC1 CNP0592244.0 [0,1,0,1,0,0|2,0,0]=4 356 B9R1.49 C=C1CCCC(CC1)C CNP0586791.0 [0,1,0,1,0,0|2,0,0]=4 357 B9R1.83 C=CCCCC[C@@H]1CO1 CNP0393072.1 [0,1,0,1,0,0|2,0,0]=4 358 B9R1.103 C1CCCSSSCC1 CNP0537108.0 [0,1,0,1,0,0|0,0,2]=4 359 B9R1.21 CC[C@@H]1SS[C@@H](S1)CC CNP0003374.1 [0,1,0,1,0,0|0,0,2]=4 360 B9R1.21 CC[C@H]1SS[C@@H](S1)CC CNP0003374.2 [0,1,0,1,0,0|0,0,2]=4 361 B9R1.13 CC(C)CC1=CC=CS1 CNP0326007.0 [0,1,0,1,0,0|1,0,1]=4 362 B9R1.13 O=C(O)CC1CCCS1 CNP0050808.0 [0,1,0,1,0,0|2,0,0]=4 363 B9R2.49 C1=CC2CCC1CC2 CNP0168880.0 [0,0,0,2,0,0|2,0,0]=4 364 B9R2.19 C=C1CC[C@H]2C[C@@H]1C2 CNP0276296.1 [0,0,0,2,0,0|2,0,0]=4 365 B9R2.2 C1=CSC(=C1)C2CC2 CNP0419636.0 [0,0,0,2,0,0|1,0,1]=4