0 B7R0.1 C#CC=CCCCC CNP0076122.0 [0,0,0,0,0,0|2,0,2]=4 1 B7R0.1 C=CC=CCCCC CNP0084214.0 [0,0,0,0,0,0|2,0,2]=4 2 B7R0.1 C=CCCCCCC CNP0246919.0 [0,0,0,0,0,0|2,0,1]=3 3 B7R0.1 C=CCCCCCO CNP0075956.0 [0,0,0,0,0,0|3,0,1]=4 4 B7R0.1 C=CCCCN=C=S CNP0144953.0 [0,0,0,0,0,0|0,0,2]=2 5 B7R0.1 CC=CCCCCC CNP0199237.0 [0,0,0,0,0,0|2,0,1]=3 6 B7R0.1 CC=CCSCCC CNP0536250.0 [0,0,0,0,0,0|3,0,1]=4 7 B7R0.1 CCC#CCCCC CNP0602501.0 [0,0,0,0,0,0|2,0,2]=4 8 B7R0.1 CCC=CCCCC CNP0084702.0 [0,0,0,0,0,0|2,0,2]=4 9 B7R0.1 CCCCC=CC=O CNP0210810.0 [0,0,0,0,0,0|1,1,2]=4 10 B7R0.1 CCCCC=CCO CNP0191159.0 [0,0,0,0,0,0|1,1,2]=4 11 B7R0.1 CCCCCCC#N CNP0186663.0 [0,0,0,0,0,0|2,0,1]=3 12 B7R0.1 CCCCCCC=O CNP0243745.0 [0,0,0,0,0,0|1,1,1]=3 13 B7R0.1 CCCCCCCC CNP0286567.0 [0,0,0,0,0,0|2,0,1]=3 14 B7R0.1 CCCCCCCN CNP0186919.0 [0,0,0,0,0,0|2,0,1]=3 15 B7R0.1 CCCCCCCO CNP0329737.0 [0,0,0,0,0,0|1,1,1]=3 16 B7R0.1 CCCCCCNC CNP0413437.0 [0,0,0,0,0,0|3,0,0]=3 17 B7R0.1 CCCCCN=C=S CNP0391667.0 [0,0,0,0,0,0|0,0,0]=0 18 B7R0.1 CCCCCOC=O CNP0294368.0 [0,0,0,0,0,0|1,1,1]=3 19 B7R0.1 CCCCCOCC CNP0520137.0 [0,0,0,0,0,0|2,0,1]=3 20 B7R0.1 CCCCCON=O CNP0511882.0 [0,0,0,0,0,0|2,1,0]=3 21 B7R0.1 CCCCCSSC CNP0201479.0 [0,0,0,0,0,0|3,0,0]=3 22 B7R0.1 CCCCN=CC=S CNP0423600.0 [0,0,0,0,0,0|2,0,1]=3 23 B7R0.1 CCCCNCCO CNP0185911.0 [0,0,0,0,0,0|2,1,1]=4 24 B7R0.1 CCCCOCCO CNP0080154.0 [0,0,0,0,0,0|2,1,1]=4 25 B7R0.1 CCCC[N+]=CC=S CNP0578229.0 [0,0,0,0,0,0|2,0,1]=3 26 B7R0.1 CCNCCCCN CNP0107714.0 [0,0,0,0,0,0|2,0,2]=4 27 B7R0.1 CCNCCNCC CNP0103183.0 [0,0,0,0,0,0|2,0,2]=4 28 B7R0.1 CNCCCCCN CNP0390055.0 [0,0,0,0,0,0|3,0,1]=4 29 B7R0.1 CNCCCCNC CNP0145070.0 [0,0,0,0,0,0|4,0,0]=4 30 B7R0.1 CSCCCC=NO CNP0610383.0 [0,0,0,0,0,0|3,1,0]=4 31 B7R0.1 CSCCCCC#N CNP0183103.0 [0,0,0,0,0,0|3,0,1]=4 32 B7R0.1 CSCCCN=C=S CNP0228923.0 [0,0,0,0,0,0|1,0,0]=1 33 B7R0.1 NCCCCCCN CNP0230906.0 [0,0,0,0,0,0|3,0,1]=4 34 B7R0.1 NCCCCCCO CNP0568466.0 [0,0,0,0,0,0|2,1,1]=4 35 B7R0.1 NCCCCCNO CNP0455910.0 [0,0,0,0,0,0|3,1,0]=4 36 B7R0.1 OCCCCCCBr CNP0593386.0 [0,0,0,0,0,0|2,1,1]=4 37 B7R0.1 OCCCCCCO CNP0080019.0 [0,0,0,0,0,0|2,1,1]=4 38 B7R0.1 OCCCCCCS CNP0154751.0 [0,0,0,0,0,0|2,0,2]=4 39 B7R0.1 OCCCCN=C=S CNP0611896.0 [0,0,0,0,0,0|1,0,0]=1 40 B7R0.1 S=C=NCCCCS CNP0504519.0 [0,0,0,0,0,0|1,0,0]=1 41 B7R0.1 SCCCCCCS CNP0089642.0 [0,0,0,0,0,0|2,0,2]=4 42 B7R0.1 [CH2-]CCCCCC#[O+] CNP0489135.0 [0,0,0,0,0,0|1,1,2]=4 43 B6R0.6 C#CCCCCO CNP0289179.0 [1,0,0,0,0,0|2,0,1]=4 44 B6R0.6 C=CCCCCC CNP0226691.0 [1,0,0,0,0,0|1,0,1]=3 45 B6R0.6 C=CCCCCO CNP0162421.0 [1,0,0,0,0,0|2,0,1]=4 46 B6R0.6 C=CCCN=C=S CNP0107519.0 [1,0,0,0,0,0|0,0,2]=3 47 B6R0.6 C=CCSCCC CNP0150756.0 [1,0,0,0,0,0|2,0,1]=4 48 B6R0.6 C=COCCCC CNP0077236.0 [1,0,0,0,0,0|2,0,1]=4 49 B6R0.6 CC=CCCCC CNP0158475.0 [1,0,0,0,0,0|1,0,2]=4 50 B6R0.6 CCC=CN=C=S CNP0076586.0 [1,0,0,0,0,0|0,0,2]=3 51 B6R0.6 CCCCC=CO CNP0511187.0 [1,0,0,0,0,0|0,1,2]=4 52 B6R0.6 CCCCC=NO CNP0149695.0 [1,0,0,0,0,0|0,1,1]=3 53 B6R0.6 CCCCCC#N CNP0412353.0 [1,0,0,0,0,0|1,0,1]=3 54 B6R0.6 CCCCCC=O CNP0304790.0 [1,0,0,0,0,0|0,1,1]=3 55 B6R0.6 CCCCCCC CNP0290800.0 [1,0,0,0,0,0|1,0,1]=3 56 B6R0.6 CCCCCCN CNP0213933.0 [1,0,0,0,0,0|1,0,1]=3 57 B6R0.6 CCCCCCO CNP0317600.0 [1,0,0,0,0,0|0,1,1]=3 58 B6R0.6 CCCCCCS CNP0167948.0 [1,0,0,0,0,0|0,0,2]=3 59 B6R0.6 CCCCCC[O-] CNP0579903.0 [1,0,0,0,0,0|0,1,1]=3 60 B6R0.6 CCCCCNC CNP0276164.0 [1,0,0,0,0,0|0,0,2]=3 61 B6R0.6 CCCCCOC CNP0358174.0 [1,0,0,0,0,0|1,0,1]=3 62 B6R0.6 CCCCCSC CNP0293012.0 [1,0,0,0,0,0|1,0,1]=3 63 B6R0.6 CCCCCSS CNP0228282.0 [1,0,0,0,0,0|1,0,1]=3 64 B6R0.6 CCCCN=C=S CNP0328773.0 [1,0,0,0,0,0|0,0,0]=1 65 B6R0.6 CCCCNC=O CNP0082472.0 [1,0,0,0,0,0|0,1,2]=4 66 B6R0.6 CCCCOC=O CNP0282325.0 [1,0,0,0,0,0|1,1,1]=4 67 B6R0.6 CCCCON=O CNP0003508.0 [1,0,0,0,0,0|1,1,0]=3 68 B6R0.6 CCCCSSC CNP0532819.0 [1,0,0,0,0,0|2,0,1]=4 69 B6R0.6 CCCNCCC CNP0129820.0 [1,0,0,0,0,0|2,0,1]=4 70 B6R0.6 CCCOCCO CNP0079853.0 [1,0,0,0,0,0|1,1,1]=4 71 B6R0.6 CCCSCCC CNP0173387.0 [1,0,0,0,0,0|2,0,1]=4 72 B6R0.6 CCOCCCO CNP0304052.0 [1,0,0,0,0,0|1,1,1]=4 73 B6R0.6 CCOCCCS CNP0267296.0 [1,0,0,0,0,0|1,0,2]=4 74 B6R0.6 CCSCCCO CNP0355297.0 [1,0,0,0,0,0|1,1,1]=4 75 B6R0.6 CNCCCCN CNP0157274.0 [1,0,0,0,0,0|1,0,2]=4 76 B6R0.6 COCCCCO CNP0570905.0 [1,0,0,0,0,0|1,1,1]=4 77 B6R0.6 CSCCCC#N CNP0286857.0 [1,0,0,0,0,0|2,0,1]=4 78 B6R0.6 CSCCCC=O CNP0002814.0 [1,0,0,0,0,0|1,1,1]=4 79 B6R0.6 CSCCCCO CNP0002400.0 [1,0,0,0,0,0|1,1,1]=4 80 B6R0.6 CSCCCN=S CNP0092190.0 [1,0,0,0,0,0|1,0,0]=2 81 B6R0.6 CSCCN=C=S CNP0002691.0 [1,0,0,0,0,0|1,0,0]=2 82 B6R0.6 NCCCCC=O CNP0083786.0 [1,0,0,0,0,0|1,1,1]=4 83 B6R0.6 NCCCCCN CNP0184259.0 [1,0,0,0,0,0|2,0,1]=4 84 B6R0.6 NCCCCCO CNP0032450.0 [1,0,0,0,0,0|1,1,1]=4 85 B6R0.6 OCCCCCO CNP0201249.0 [1,0,0,0,0,0|1,1,1]=4 86 B6R0.6 OCCCN=C=S CNP0612043.0 [1,0,0,0,0,0|1,0,0]=2 87 B6R0.6 [CH2-]CCCCC#[O+] CNP0596536.0 [1,0,0,0,0,0|0,1,2]=4 88 B8R0.1 C=CCC(O)CCCC CNP0566566.0 [0,1,0,0,0,0|2,0,1]=4 89 B8R0.1 C=CCC[C@@H](O)CCC CNP0196626.2 [0,1,0,0,0,0|2,0,1]=4 90 B8R0.1 C=CCC[C@H](O)CCC CNP0196626.1 [0,1,0,0,0,0|2,0,1]=4 91 B8R0.1 CC=CCC(O)CCC CNP0497599.0 [0,1,0,0,0,0|2,0,1]=4 92 B8R0.1 CCCC(S)CCOC CNP0309037.0 [0,1,0,0,0,0|3,0,0]=4 93 B8R0.1 CCCC[C@H](C)CCC CNP0319238.1 [0,1,0,0,0,0|2,0,1]=4 94 B8R0.1 CCCC[C@H](O)CCC CNP0195357.1 [0,1,0,0,0,0|2,0,1]=4 95 B8R0.1 CCC[C@@H](C)CCCO CNP0421179.1 [0,1,0,0,0,0|1,1,1]=4 96 B8R0.4 C=CC=CCCCCC CNP0389218.0 [0,1,0,0,0,0|2,0,1]=4 97 B8R0.4 C=CCCCCCCC CNP0317850.0 [0,1,0,0,0,0|2,0,1]=4 98 B8R0.4 C=CCCCCCCO CNP0610530.0 [0,1,0,0,0,0|2,0,1]=4 99 B8R0.4 C=CCCCCN=C=S CNP0002692.0 [0,1,0,0,0,0|0,0,1]=2 100 B8R0.4 C=CCCCN=CC=S CNP0418197.0 [0,1,0,0,0,0|0,0,3]=4 101 B8R0.4 CC#CCCCCCC CNP0610539.0 [0,1,0,0,0,0|2,0,1]=4 102 B8R0.4 CC=C=CCCCCC CNP0555445.0 [0,1,0,0,0,0|2,0,0]=3 103 B8R0.4 CC=CCCCCCC CNP0241269.0 [0,1,0,0,0,0|2,0,1]=4 104 B8R0.4 CC=CCCCCCO CNP0534658.0 [0,1,0,0,0,0|2,0,1]=4 105 B8R0.4 CCC=CCCCCC CNP0539420.0 [0,1,0,0,0,0|2,0,1]=4 106 B8R0.4 CCCCCC=CC=O CNP0192932.0 [0,1,0,0,0,0|1,1,1]=4 107 B8R0.4 CCCCCC=CCO CNP0113756.0 [0,1,0,0,0,0|1,1,1]=4 108 B8R0.4 CCCCCCC=CO CNP0605778.0 [0,1,0,0,0,0|1,1,1]=4 109 B8R0.4 CCCCCCC=NO CNP0389770.0 [0,1,0,0,0,0|1,1,1]=4 110 B8R0.4 CCCCCCCC#N CNP0112630.0 [0,1,0,0,0,0|2,0,1]=4 111 B8R0.4 CCCCCCCC=O CNP0146292.0 [0,1,0,0,0,0|1,1,1]=4 112 B8R0.4 CCCCCCCCC CNP0402619.0 [0,1,0,0,0,0|2,0,1]=4 113 B8R0.4 CCCCCCCCN CNP0065900.0 [0,1,0,0,0,0|2,0,1]=4 114 B8R0.4 CCCCCCCCO CNP0368614.0 [0,1,0,0,0,0|1,1,1]=4 115 B8R0.4 CCCCCCCNC CNP0216624.0 [0,1,0,0,0,0|2,0,1]=4 116 B8R0.4 CCCCCCCOO CNP0566054.0 [0,1,0,0,0,0|1,1,1]=4 117 B8R0.4 CCCCCCC[11CH]=O CNP0546456.0 [0,1,0,0,0,0|1,1,1]=4 118 B8R0.4 CCCCCCN=C=S CNP0253332.0 [0,1,0,0,0,0|0,0,0]=1 119 B8R0.4 CCCCCCOC=O CNP0086211.0 [0,1,0,0,0,0|1,1,1]=4 120 B8R0.4 CCCCCCOCC CNP0609034.0 [0,1,0,0,0,0|2,0,1]=4 121 B8R0.4 CCCCCCSSC CNP0510251.0 [0,1,0,0,0,0|2,0,1]=4 122 B8R0.4 CCCCNCCCC CNP0203128.0 [0,1,0,0,0,0|2,0,1]=4 123 B8R0.4 CCCCOCCCC CNP0077266.0 [0,1,0,0,0,0|2,0,1]=4 124 B8R0.4 CCCCOCCCO CNP0141373.0 [0,1,0,0,0,0|1,1,1]=4 125 B8R0.4 CCCCSCCCC CNP0370059.0 [0,1,0,0,0,0|2,0,1]=4 126 B8R0.4 CCNCCCNCC CNP0239670.0 [0,1,0,0,0,0|1,0,2]=4 127 B8R0.4 CSC=CCCN=C=S CNP0268279.0 [0,1,0,0,0,0|0,0,2]=3 128 B8R0.4 CSCCCCC=NO CNP0070910.0 [0,1,0,0,0,0|2,1,0]=4 129 B8R0.4 CSCCCCCC#N CNP0267304.0 [0,1,0,0,0,0|2,0,1]=4 130 B8R0.4 CSCCCCN=C=S CNP0241465.0 [0,1,0,0,0,0|0,0,0]=1 131 B8R0.4 CSCCCCSC#N CNP0216108.0 [0,1,0,0,0,0|2,0,1]=4 132 B8R0.4 CSCCCN=CC=S CNP0098576.0 [0,1,0,0,0,0|1,0,1]=3 133 B8R0.4 CSCCC[N+]=CC=S CNP0575670.0 [0,1,0,0,0,0|1,0,1]=3 134 B8R0.6 C=CC(=O)CCCCC CNP0297364.0 [0,1,0,0,0,0|2,0,1]=4 135 B8R0.6 C=C[C@@H](O)CCCCC CNP0246419.1 [0,1,0,0,0,0|2,0,1]=4 136 B8R0.6 C=C[C@H](O)CCCCC CNP0246419.2 [0,1,0,0,0,0|2,0,1]=4 137 B8R0.6 CC=C(O)CCCCC CNP0174345.0 [0,1,0,0,0,0|2,0,1]=4 138 B8R0.6 CCCCCC(=NO)C CNP0241223.0 [0,1,0,0,0,0|2,1,0]=4 139 B8R0.6 CCCCCC(=O)CC CNP0381627.0 [0,1,0,0,0,0|2,0,1]=4 140 B8R0.6 CCCCCC(=O)CO CNP0546319.0 [0,1,0,0,0,0|1,1,1]=4 141 B8R0.6 CCCCCC(=O)OC CNP0192346.0 [0,1,0,0,0,0|3,0,0]=4 142 B8R0.6 CCCCCC(=O)SC CNP0018085.0 [0,1,0,0,0,0|3,0,0]=4 143 B8R0.6 CCCCCC(S)SC CNP0002612.0 [0,1,0,0,0,0|3,0,0]=4 144 B8R0.6 CCCCC[C@@H](O)CC CNP0204116.1 [0,1,0,0,0,0|2,0,1]=4 145 B8R0.6 CCCCC[C@H](C)CC CNP0121781.1 [0,1,0,0,0,0|2,0,1]=4 146 B8R0.6 CCCCC[C@H](O)CC CNP0204116.2 [0,1,0,0,0,0|2,0,1]=4 147 B8R0.6 CCCCC[C@H](O)CO CNP0528306.1 [0,1,0,0,0,0|1,1,1]=4 148 B8R0.6 CC[C@@H](C)CCCCO CNP0076966.2 [0,1,0,0,0,0|1,1,1]=4 149 B8R0.6 CC[C@H](C)CCCCO CNP0076966.1 [0,1,0,0,0,0|1,1,1]=4 150 B8R0.7 C=C(O)CCCCCC CNP0584840.0 [0,1,0,0,0,0|1,1,1]=4 151 B8R0.7 C=CCCCCC(C)O CNP0002843.0 [0,1,0,0,0,0|2,0,1]=4 152 B8R0.7 CC(=N)CCCN=C=S CNP0589119.0 [0,1,0,0,0,0|0,0,1]=2 153 B8R0.7 CC(C)CCCCC=O CNP0244483.0 [0,1,0,0,0,0|1,1,1]=4 154 B8R0.7 CC(C)CCCCCO CNP0090200.0 [0,1,0,0,0,0|1,1,1]=4 155 B8R0.7 CC(C)CCCN=C=S CNP0076170.0 [0,1,0,0,0,0|0,0,0]=1 156 B8R0.7 CCCCCC=C(C)C CNP0153071.0 [0,1,0,0,0,0|2,0,1]=4 157 B8R0.7 CCCCCC=C(C)O CNP0546798.0 [0,1,0,0,0,0|1,1,1]=4 158 B8R0.7 CCCCCCC(=O)C CNP0325160.0 [0,1,0,0,0,0|1,1,1]=4 159 B8R0.7 CCCCCCC(=O)Cl CNP0211048.0 [0,1,0,0,0,0|1,1,1]=4 160 B8R0.7 CCCCCCC(=O)N CNP0248097.0 [0,1,0,0,0,0|1,1,1]=4 161 B8R0.7 CCCCCCC(=O)O CNP0141686.0 [0,1,0,0,0,0|1,1,1]=4 162 B8R0.7 CCCCCCC(C)C CNP0161146.0 [0,1,0,0,0,0|2,0,1]=4 163 B8R0.7 CCCCCC[C@@H](C)Cl CNP0248103.2 [0,1,0,0,0,0|2,0,1]=4 164 B8R0.7 CCCCCC[C@@H](C)O CNP0419289.1 [0,1,0,0,0,0|1,1,1]=4 165 B8R0.7 CCCCCC[C@H](C)Cl CNP0248103.1 [0,1,0,0,0,0|2,0,1]=4 166 B8R0.7 CCCCCC[C@H](C)O CNP0419289.2 [0,1,0,0,0,0|1,1,1]=4 167 B8R0.7 CCCCCC[N+](=O)O CNP0515303.0 [0,1,0,0,0,0|2,1,0]=4 168 B8R0.7 CCCCCC[N+](=O)[O-] CNP0518178.0 [0,1,0,0,0,0|2,1,0]=4 169 B8R0.7 CCCCCOC(=O)C CNP0227990.0 [0,1,0,0,0,0|1,1,1]=4 170 B8R0.7 CSCCCNC(=S)N CNP0388226.0 [0,1,0,0,0,0|1,0,2]=4 171 B8R0.7 C[S@+]([O-])CCCN=C=S CNP0567636.1 [0,1,0,0,0,0|1,0,0]=2 172 B8R0.7 C[S@@+]([O-])CCCN=C=S CNP0567636.2 [0,1,0,0,0,0|1,0,0]=2 173 B8R0.7 C[S@@H+]([O-])CCCN=C=S CNP0578831.1 [0,1,0,0,0,0|1,0,0]=2 174 B8R0.7 NC(=NCCCCO)N CNP0537615.0 [0,1,0,0,0,0|2,0,1]=4 175 B8R0.7 NC(=S)NCCCCO CNP0407776.0 [0,1,0,0,0,0|1,0,2]=4 176 B8R0.7 NCCCCN=C(N)N CNP0307539.0 [0,1,0,0,0,0|2,0,1]=4 177 B8R1.2 CCC1CCCCC1 CNP0300322.0 [0,0,0,1,0,0|2,0,1]=4 178 B8R1.2 CC[C@@H]1CCCCO1 CNP0273678.2 [0,0,0,1,0,0|1,1,1]=4 179 B8R1.2 CC[C@H]1C=CCCC1 CNP0103483.1 [0,0,0,1,0,0|2,0,1]=4 180 B8R1.2 CC[C@H]1CCCCO1 CNP0273678.1 [0,0,0,1,0,0|1,1,1]=4 181 B8R1.2 CNC1CCCCC1 CNP0474937.0 [0,0,0,1,0,0|3,0,0]=4 182 B8R1.2 N=C=C1CCCCC1 CNP0105477.0 [0,0,0,1,0,0|2,0,0]=3 183 B8R1.2 NCC1CCCCC1 CNP0581484.0 [0,0,0,1,0,0|2,0,1]=4 184 B8R1.2 O=CC1CCCCC1 CNP0419979.0 [0,0,0,1,0,0|1,1,1]=4 185 B8R1.2 O=CN1CCCCC1 CNP0187689.0 [0,0,0,1,0,0|0,1,2]=4 186 B8R1.2 O=NN1CCCCC1 CNP0313974.0 [0,0,0,1,0,0|1,1,1]=4 187 B8R1.2 ON=C1CCCCC1 CNP0102527.0 [0,0,0,1,0,0|2,1,0]=4 188 B8R1.2 [C-]#[N+]C1CCCCC1 CNP0554147.0 [0,0,0,1,0,0|3,0,0]=4 189 B8R1.5 C=C1CCCCC1C CNP0595985.0 [0,0,0,1,0,0|2,0,1]=4 190 B8R1.5 CC1CCCC=C1Cl CNP0566805.0 [0,0,0,1,0,0|2,0,1]=4 191 B8R1.5 CC1CCCCC1=O CNP0003363.0 [0,0,0,1,0,0|1,1,1]=4 192 B8R1.5 CC1CCCCC1O CNP0610101.0 [0,0,0,1,0,0|1,1,1]=4 193 B8R1.5 CC1CCCOC1=O CNP0340524.0 [0,0,0,1,0,0|1,1,1]=4 194 B8R1.5 C[C@@H]1CCCC[C@@H]1C CNP0309502.2 [0,0,0,1,0,0|2,0,1]=4 195 B8R1.5 C[C@@H]1CCCC[C@H]1C CNP0309502.1 [0,0,0,1,0,0|2,0,1]=4 196 B8R1.8 CCCC1CCCC1 CNP0271421.0 [0,0,0,1,0,0|2,0,1]=4 197 B8R1.8 CCCC1CCSS1 CNP0313862.0 [0,0,0,1,0,0|2,0,1]=4 198 B8R1.8 NCCC1CN=CN1 CNP0562963.0 [0,0,0,1,0,0|2,0,1]=4 199 B8R1.10 CCCCC1CCC1 CNP0281769.0 [0,0,0,1,0,0|2,0,1]=4 200 B8R1.11 CCC1CCCC1=O CNP0494839.0 [0,0,0,1,0,0|1,1,1]=4 201 B8R1.11 CC[C@@H]1CCC[C@H]1C CNP0227551.1 [0,0,0,1,0,0|2,0,1]=4 202 B8R1.11 CC[C@H]1CCNC1=O CNP0289303.1 [0,0,0,1,0,0|0,1,2]=4 203 B8R1.22 CC1CCCCCC1 CNP0214318.0 [0,0,0,1,0,0|2,0,1]=4 204 B8R1.22 NC1=NCCCCC1 CNP0446960.0 [0,0,0,1,0,0|1,0,1]=3 205 B8R1.22 NC1=[NH+]CCCCC1 CNP0594018.0 [0,0,0,1,0,0|1,0,2]=4 206 B8R1.22 O=C1CCCCCC1 CNP0486939.0 [0,0,0,1,0,0|1,1,1]=4 207 B8R1.22 O=C1CCCCCN1 CNP0157959.0 [0,0,0,1,0,0|0,1,2]=4 208 B8R1.22 O=C1CCCCCO1 CNP0358428.0 [0,0,0,1,0,0|1,1,1]=4 209 B8R1.22 OC1=NCCCCC1 CNP0523769.0 [0,0,0,1,0,0|0,1,1]=3 210 B8R1.36 CCCCCC1CC1 CNP0610547.0 [0,0,0,1,0,0|2,0,1]=4 211 B8R1.49 C1=CCCCCCC1 CNP0354381.0 [0,0,0,1,0,0|2,0,1]=4 212 B5R0.2 C=CCCCC CNP0264947.0 [2,0,0,0,0,0|0,0,2]=4 213 B5R0.2 C=CCN=C=S CNP0329428.0 [2,0,0,0,0,0|0,0,2]=4 214 B5R0.2 C=CC[N+]=C=S CNP0590911.0 [2,0,0,0,0,0|0,0,2]=4 215 B5R0.2 CCCC=NO CNP0071145.0 [2,0,0,0,0,0|0,1,1]=4 216 B5R0.2 CCCCC#N CNP0357663.0 [2,0,0,0,0,0|0,0,2]=4 217 B5R0.2 CCCCC=O CNP0361186.0 [2,0,0,0,0,0|0,1,1]=4 218 B5R0.2 CCCCCBr CNP0018690.0 [2,0,0,0,0,0|1,0,0]=3 219 B5R0.2 CCCCCC CNP0269021.0 [2,0,0,0,0,0|0,0,1]=3 220 B5R0.2 CCCCCI CNP0017763.0 [2,0,0,0,0,0|1,0,0]=3 221 B5R0.2 CCCCCN CNP0203183.0 [2,0,0,0,0,0|0,0,1]=3 222 B5R0.2 CCCCCO CNP0244882.0 [2,0,0,0,0,0|0,1,0]=3 223 B5R0.2 CCCCCS CNP0260876.0 [2,0,0,0,0,0|0,0,1]=3 224 B5R0.2 CCCCNC CNP0277639.0 [2,0,0,0,0,0|0,0,2]=4 225 B5R0.2 CCCCOC CNP0609033.0 [2,0,0,0,0,0|1,0,1]=4 226 B5R0.2 CCCCSC CNP0562965.0 [2,0,0,0,0,0|1,0,1]=4 227 B5R0.2 CCCC[S+]=O CNP0521772.0 [2,0,0,0,0,0|1,1,0]=4 228 B5R0.2 CCCN=C=S CNP0077279.0 [2,0,0,0,0,0|0,0,0]=2 229 B5R0.2 CCCSCC CNP0316215.0 [2,0,0,0,0,0|1,0,1]=4 230 B5R0.2 CCNCCN CNP0281269.0 [2,0,0,0,0,0|1,0,1]=4 231 B5R0.2 CCNCCO CNP0396370.0 [2,0,0,0,0,0|1,1,0]=4 232 B5R0.2 CCOCCO CNP0319988.0 [2,0,0,0,0,0|1,1,0]=4 233 B5R0.2 CCSCCN CNP0506731.0 [2,0,0,0,0,0|1,0,1]=4 234 B5R0.2 CSCCCN CNP0348726.0 [2,0,0,0,0,0|1,0,1]=4 235 B5R0.2 CSCCCO CNP0359993.0 [2,0,0,0,0,0|1,1,0]=4 236 B5R0.2 NCCCCN CNP0116270.0 [2,0,0,0,0,0|1,0,1]=4 237 B5R0.2 NCCCCO CNP0514594.0 [2,0,0,0,0,0|1,0,1]=4 238 B5R0.2 OCCCCBr CNP0083982.0 [2,0,0,0,0,0|1,1,0]=4 239 B5R0.2 OCCCCCl CNP0079807.0 [2,0,0,0,0,0|1,1,0]=4 240 B5R0.2 OCCCCO CNP0080008.0 [2,0,0,0,0,0|1,1,0]=4 241 B5R0.2 [C-]#[N+]CCCC CNP0522879.0 [2,0,0,0,0,0|0,0,2]=4 242 B7R0.3 C=CC(C)CCCC CNP0354372.0 [1,1,0,0,0,0|1,0,1]=4 243 B7R0.3 C=CC(C)CN=C=S CNP0075379.0 [1,1,0,0,0,0|0,0,2]=4 244 B7R0.3 C=CC(Cl)CCCC CNP0275370.0 [1,1,0,0,0,0|1,0,1]=4 245 B7R0.3 C=C[C@H](O)CCCC CNP0076908.1 [1,1,0,0,0,0|1,0,1]=4 246 B7R0.3 CCC(C)CCCO CNP0251541.0 [1,1,0,0,0,0|0,1,1]=4 247 B7R0.3 CCCCC(C)CO CNP0563062.0 [1,1,0,0,0,0|0,1,1]=4 248 B7R0.3 CCCCC(O)CO CNP0481107.0 [1,1,0,0,0,0|0,1,1]=4 249 B7R0.3 CCCC[C@@H](C)C=O CNP0315338.1 [1,1,0,0,0,0|0,1,1]=4 250 B7R0.3 CCCC[C@@H](C)CC CNP0161853.2 [1,1,0,0,0,0|1,0,1]=4 251 B7R0.3 CCCC[C@H](C)CC CNP0161853.1 [1,1,0,0,0,0|1,0,1]=4 252 B7R0.3 CCCC[C@H](C)CO CNP0563062.1 [1,1,0,0,0,0|0,1,1]=4 253 B7R0.3 CCCC[C@H](N)C=O CNP0526620.1 [1,1,0,0,0,0|0,1,1]=4 254 B7R0.3 CCCC[C@H](O)CC CNP0102609.1 [1,1,0,0,0,0|1,0,1]=4 255 B7R0.3 CC[C@H](C)CN=C=S CNP0333969.1 [1,1,0,0,0,0|0,0,0]=2 256 B7R0.4 C=C(C)CCN=C=S CNP0114096.0 [1,1,0,0,0,0|0,0,1]=3 257 B7R0.4 C=C(O)CCCCC CNP0475201.0 [1,1,0,0,0,0|0,1,1]=4 258 B7R0.4 C=CCCCC(C)C CNP0359236.0 [1,1,0,0,0,0|1,0,1]=4 259 B7R0.4 CC(C)CCCCO CNP0497904.0 [1,1,0,0,0,0|0,1,1]=4 260 B7R0.4 CC(C)CCN=C=S CNP0085995.0 [1,1,0,0,0,0|0,0,0]=2 261 B7R0.4 CC(C)CCON=O CNP0341686.0 [1,1,0,0,0,0|1,1,0]=4 262 B7R0.4 CC(O)CCCCO CNP0285438.0 [1,1,0,0,0,0|0,1,1]=4 263 B7R0.4 CCCCCC(=O)C CNP0240774.0 [1,1,0,0,0,0|0,1,1]=4 264 B7R0.4 CCCCCC(=O)N CNP0077222.0 [1,1,0,0,0,0|0,1,1]=4 265 B7R0.4 CCCCCC(=O)O CNP0210437.0 [1,1,0,0,0,0|0,1,1]=4 266 B7R0.4 CCCCCC(=S)O CNP0092443.0 [1,1,0,0,0,0|0,0,1]=3 267 B7R0.4 CCCCCC(C)C CNP0146536.0 [1,1,0,0,0,0|1,0,1]=4 268 B7R0.4 CCCCC[14C](=O)O CNP0563421.0 [1,1,0,0,0,0|0,1,1]=4 269 B7R0.4 CCCCC[C@@H](C)N CNP0336832.2 [1,1,0,0,0,0|1,0,1]=4 270 B7R0.4 CCCCC[C@@H](C)O CNP0256316.1 [1,1,0,0,0,0|0,1,1]=4 271 B7R0.4 CCCCC[C@@H](C)S CNP0076785.2 [1,1,0,0,0,0|0,0,2]=4 272 B7R0.4 CCCCC[C@H](C)N CNP0336832.1 [1,1,0,0,0,0|1,0,1]=4 273 B7R0.4 CCCCC[C@H](C)O CNP0256316.2 [1,1,0,0,0,0|0,1,1]=4 274 B7R0.4 CCCCC[C@H](C)S CNP0076785.1 [1,1,0,0,0,0|0,0,2]=4 275 B7R0.4 CCCCNC(=S)N CNP0137764.0 [1,1,0,0,0,0|0,0,2]=4 276 B7R0.4 C[S@+]([O-])CCN=C=S CNP0519953.1 [1,1,0,0,0,0|1,0,0]=3 277 B7R0.4 C[S@H+]([O-])CCN=C=S CNP0547204.1 [1,1,0,0,0,0|1,0,0]=3 278 B7R0.4 [CH2]CCCCC(C)C CNP0488090.0 [1,1,0,0,0,0|1,0,1]=4 279 B7R0.7 CCCC(C)CC=O CNP0405888.0 [1,1,0,0,0,0|0,1,1]=4 280 B7R0.7 CCCC(C)CCC CNP0137963.0 [1,1,0,0,0,0|1,0,1]=4 281 B7R0.7 CCCC(O)CCC CNP0407378.0 [1,1,0,0,0,0|1,0,1]=4 282 B7R0.7 CCC[C@@H](C)CCO CNP0076379.1 [1,1,0,0,0,0|0,1,1]=4 283 B7R0.7 CCC[C@@H](S)CCO CNP0156811.1 [1,1,0,0,0,0|0,1,1]=4 284 B7R0.7 CCC[C@H](C)CCO CNP0076379.2 [1,1,0,0,0,0|0,1,1]=4 285 B7R0.7 CCC[C@H](S)CCO CNP0156811.2 [1,1,0,0,0,0|0,1,1]=4 286 B9R0.2 CS(O)C=CCCN=C=S CNP0333316.0 [0,2,0,0,0,0|0,0,2]=4 287 B9R0.2 CS(O)CCCCN=C=S CNP0368937.0 [0,2,0,0,0,0|0,0,0]=2 288 B9R0.2 CSCCCCNC(=S)N CNP0329860.0 [0,2,0,0,0,0|0,0,2]=4 289 B9R0.2 C[S@+]([O-])/C=C/CCN=C=S CNP0543780.1 [0,2,0,0,0,0|0,0,2]=4 290 B9R0.2 C[S@+]([O-])CCCCN=C=S CNP0525299.1 [0,2,0,0,0,0|0,0,0]=2 291 B9R0.2 C[S@@+]([O-])CCCCN=C=S CNP0525299.2 [0,2,0,0,0,0|0,0,0]=2 292 B9R0.2 C[S@H+]([O-])/C=C/CCN=C=S CNP0511080.1 [0,2,0,0,0,0|0,0,2]=4 293 B9R0.2 C[S@H+]([O-])CCCCN=C=S CNP0541859.1 [0,2,0,0,0,0|0,0,0]=2 294 B9R0.45 C=CCCCCCN=C=S CNP0053316.0 [0,2,0,0,0,0|0,0,0]=2 295 B9R0.45 CCCCCCCC=C=O CNP0527715.0 [0,2,0,0,0,0|1,1,0]=4 296 B9R0.45 CSCCCCCN=C=S CNP0328420.0 [0,2,0,0,0,0|0,0,0]=2 297 B9R0.46 COC(=O)CCCN=C=S CNP0075378.0 [0,2,0,0,0,0|0,0,1]=3 298 B9R0.38 CS(=O)(=O)CCCN=C=S CNP0382418.0 [0,2,0,0,0,0|1,0,0]=3 299 B7R1.1 CCC1CCCC1 CNP0273207.0 [1,0,0,1,0,0|1,0,1]=4 300 B7R1.1 O=NN1CCCC1 CNP0169288.0 [1,0,0,1,0,0|1,1,0]=4 301 B7R1.3 BrC1CCCCC1 CNP0085881.0 [1,0,0,1,0,0|1,0,1]=4 302 B7R1.3 C=C1CCCCC1 CNP0312009.0 [1,0,0,1,0,0|1,0,1]=4 303 B7R1.3 CC1CCCCC1 CNP0191222.0 [1,0,0,1,0,0|1,0,1]=4 304 B7R1.3 CC1CCCCO1 CNP0292894.0 [1,0,0,1,0,0|0,1,1]=4 305 B7R1.3 CN1CCCCC1 CNP0325316.0 [1,0,0,1,0,0|0,0,2]=4 306 B7R1.3 C[C@@H]1CCCCN1 CNP0238241.1 [1,0,0,1,0,0|1,0,1]=4 307 B7R1.3 C[C@H]1CCCCN1 CNP0238241.2 [1,0,0,1,0,0|1,0,1]=4 308 B7R1.3 NC1CCCCC1 CNP0149842.0 [1,0,0,1,0,0|1,0,1]=4 309 B7R1.3 O=C1CCCCC1 CNP0271526.0 [1,0,0,1,0,0|0,1,1]=4 310 B7R1.3 OC1=NCCCC1 CNP0547052.0 [1,0,0,1,0,0|0,1,1]=4 311 B7R1.3 OC1CCCCC1 CNP0213861.0 [1,0,0,1,0,0|0,1,1]=4 312 B7R1.4 C[C@@H]1CCCC1=O CNP0165073.2 [1,0,0,1,0,0|0,1,1]=4 313 B7R1.4 C[C@@H]1CCC[C@@H]1C CNP0306021.2 [1,0,0,1,0,0|1,0,1]=4 314 B7R1.4 C[C@@H]1CCC[C@H]1C CNP0306021.3 [1,0,0,1,0,0|1,0,1]=4 315 B7R1.4 C[C@@H]1CCC[C@H]1O CNP0569064.1 [1,0,0,1,0,0|0,1,1]=4 316 B7R1.4 C[C@H]1CCCC1=O CNP0165073.1 [1,0,0,1,0,0|0,1,1]=4 317 B7R1.4 C[C@H]1CCC[C@@H]1C CNP0306021.1 [1,0,0,1,0,0|1,0,1]=4 318 B7R1.6 CCC[C@@H]1CCS1 CNP0328925.1 [1,0,0,1,0,0|0,0,2]=4 319 B7R1.7 CCCCC1CO1 CNP0608682.0 [1,0,0,1,0,0|0,1,1]=4 320 B7R1.8 CCC1CCC1O CNP0521190.0 [1,0,0,1,0,0|0,1,1]=4 321 B7R1.24 C1CCCCCC1 CNP0223227.0 [1,0,0,1,0,0|1,0,1]=4 322 B9R1.8 S=C=NC1CCCCC1 CNP0109516.0 [0,1,0,1,0,0|0,0,0]=2