0 B7R0.1 C=CC=CCCC=C CNP0365770.0 [0,0,0,0,0,0|2,0,2]=4 1 B7R0.1 C=CCCCC=CC CNP0076717.0 [0,0,0,0,0,0|2,0,1]=3 2 B7R0.1 C=CCCCCC=C CNP0118215.0 [0,0,0,0,0,0|2,0,1]=3 3 B7R0.1 C=CCCCCCC CNP0246919.0 [0,0,0,0,0,0|2,0,1]=3 4 B7R0.1 C=CCCCCCO CNP0075956.0 [0,0,0,0,0,0|1,1,1]=3 5 B7R0.1 C=CCCCN=C=S CNP0144953.0 [0,0,0,0,0,0|0,0,0]=0 6 B7R0.1 C=CCCN=CC=S CNP0091885.0 [0,0,0,0,0,0|2,0,1]=3 7 B7R0.1 CCCCCCC=O CNP0243745.0 [0,0,0,0,0,0|3,0,1]=4 8 B7R0.1 CCCCCN=C=S CNP0391667.0 [0,0,0,0,0,0|0,0,2]=2 9 B7R0.1 CSCCCN=C=S CNP0228923.0 [0,0,0,0,0,0|1,0,1]=2 10 B7R0.1 OCCCCN=C=S CNP0611896.0 [0,0,0,0,0,0|1,0,1]=2 11 B7R0.1 S=C=NCCCCS CNP0504519.0 [0,0,0,0,0,0|1,0,1]=2 12 B6R0.6 C=CCCC=CC CNP0426808.0 [1,0,0,0,0,0|1,0,2]=4 13 B6R0.6 C=CCCCC#N CNP0287374.0 [1,0,0,0,0,0|1,0,1]=3 14 B6R0.6 C=CCCCC=C CNP0115869.0 [1,0,0,0,0,0|1,0,1]=3 15 B6R0.6 C=CCCCCC CNP0226691.0 [1,0,0,0,0,0|1,0,1]=3 16 B6R0.6 C=CCCCCO CNP0162421.0 [1,0,0,0,0,0|0,1,1]=3 17 B6R0.6 C=CCCN=C=S CNP0107519.0 [1,0,0,0,0,0|0,0,0]=1 18 B6R0.6 C=CCCSC#N CNP0532187.0 [1,0,0,0,0,0|2,0,1]=4 19 B6R0.6 C=CCNCC=C CNP0443858.0 [1,0,0,0,0,0|2,0,1]=4 20 B6R0.6 C=CCOCCO CNP0248950.0 [1,0,0,0,0,0|1,1,1]=4 21 B6R0.6 C=CCSCC=C CNP0303954.0 [1,0,0,0,0,0|2,0,1]=4 22 B6R0.6 C=CCSCCC CNP0150756.0 [1,0,0,0,0,0|2,0,1]=4 23 B6R0.6 C=COCCCC CNP0077236.0 [1,0,0,0,0,0|2,0,1]=4 24 B6R0.6 CCC=CN=C=S CNP0076586.0 [1,0,0,0,0,0|0,0,3]=4 25 B6R0.6 CCCCCC=O CNP0304790.0 [1,0,0,0,0,0|2,0,1]=4 26 B6R0.6 CCCCN=C=S CNP0328773.0 [1,0,0,0,0,0|0,0,1]=2 27 B6R0.6 CSCCCC=O CNP0002814.0 [1,0,0,0,0,0|2,0,1]=4 28 B6R0.6 CSCCCN=S CNP0092190.0 [1,0,0,0,0,0|1,0,1]=3 29 B6R0.6 CSCCN=C=S CNP0002691.0 [1,0,0,0,0,0|1,0,1]=3 30 B6R0.6 NCCCCC=O CNP0083786.0 [1,0,0,0,0,0|2,0,1]=4 31 B6R0.6 O=CCCCC=O CNP0204417.0 [1,0,0,0,0,0|1,1,1]=4 32 B6R0.6 OCCCN=C=S CNP0612043.0 [1,0,0,0,0,0|1,0,0]=2 33 B8R0.1 C=CCC(O)CCCC CNP0566566.0 [0,1,0,0,0,0|2,0,1]=4 34 B8R0.1 C=CCC[C@@H](O)CCC CNP0196626.2 [0,1,0,0,0,0|2,0,1]=4 35 B8R0.1 C=CCC[C@H](O)CCC CNP0196626.1 [0,1,0,0,0,0|2,0,1]=4 36 B8R0.4 C=CCCCCCC=C CNP0320273.0 [0,1,0,0,0,0|2,0,1]=4 37 B8R0.4 C=CCCCCCC=O CNP0184185.0 [0,1,0,0,0,0|1,1,1]=4 38 B8R0.4 C=CCCCCCCC CNP0317850.0 [0,1,0,0,0,0|2,0,1]=4 39 B8R0.4 C=CCCCCCCO CNP0610530.0 [0,1,0,0,0,0|1,1,1]=4 40 B8R0.4 C=CCCCCN=C=S CNP0002692.0 [0,1,0,0,0,0|0,0,0]=1 41 B8R0.4 C=CCCCN=CC=S CNP0418197.0 [0,1,0,0,0,0|0,0,1]=2 42 B8R0.4 CC=CCCCCC=O CNP0181844.0 [0,1,0,0,0,0|1,1,1]=4 43 B8R0.4 CC=CCCCCCC CNP0241269.0 [0,1,0,0,0,0|2,0,1]=4 44 B8R0.4 CC=CCCCCCO CNP0534658.0 [0,1,0,0,0,0|1,1,1]=4 45 B8R0.4 CCCCCCC=CO CNP0605778.0 [0,1,0,0,0,0|2,0,1]=4 46 B8R0.4 CCCCCCN=C=S CNP0253332.0 [0,1,0,0,0,0|0,0,2]=3 47 B8R0.4 CSC=CCCN=C=S CNP0268279.0 [0,1,0,0,0,0|0,0,2]=3 48 B8R0.4 CSCCCCN=C=S CNP0241465.0 [0,1,0,0,0,0|0,0,2]=3 49 B8R0.4 CSCCCN=CC=S CNP0098576.0 [0,1,0,0,0,0|1,0,2]=4 50 B8R0.4 CSCCC[N+]=CC=S CNP0575670.0 [0,1,0,0,0,0|1,0,2]=4 51 B8R0.6 C=CC(O)CCC=CC CNP0288913.0 [0,1,0,0,0,0|2,0,1]=4 52 B8R0.6 C=CCCCC(=C)C=C CNP0546296.0 [0,1,0,0,0,0|2,0,1]=4 53 B8R0.6 C=CCCC[C@H](O)C=C CNP0223839.1 [0,1,0,0,0,0|2,0,1]=4 54 B8R0.6 C=C[C@@H](O)CCCCC CNP0246419.1 [0,1,0,0,0,0|2,0,1]=4 55 B8R0.6 C=C[C@H](O)CCCCC CNP0246419.2 [0,1,0,0,0,0|2,0,1]=4 56 B8R0.7 C=C(O)CCCCCC CNP0584840.0 [0,1,0,0,0,0|2,0,1]=4 57 B8R0.7 C=CCCCCC(=O)C CNP0179576.0 [0,1,0,0,0,0|1,1,1]=4 58 B8R0.7 C=CCCCCC(C)O CNP0002843.0 [0,1,0,0,0,0|1,1,1]=4 59 B8R0.7 C=CCCCOC(=O)C CNP0186159.0 [0,1,0,0,0,0|1,1,1]=4 60 B8R0.7 CC(=N)CCCN=C=S CNP0589119.0 [0,1,0,0,0,0|0,0,1]=2 61 B8R0.7 CC(C)CCCN=C=S CNP0076170.0 [0,1,0,0,0,0|0,0,2]=3 62 B8R0.7 C[S@+]([O-])CCCN=C=S CNP0567636.1 [0,1,0,0,0,0|1,0,1]=3 63 B8R0.7 C[S@@+]([O-])CCCN=C=S CNP0567636.2 [0,1,0,0,0,0|1,0,1]=3 64 B8R0.7 C[S@@H+]([O-])CCCN=C=S CNP0578831.1 [0,1,0,0,0,0|1,0,1]=3 65 B8R1.2 BrC[C@@H]1C=CCCC1 CNP0302852.1 [0,0,0,1,0,0|2,0,1]=4 66 B8R1.2 CC[C@H]1C=CCCC1 CNP0103483.1 [0,0,0,1,0,0|2,0,1]=4 67 B8R1.2 OCC1C=CCCC1 CNP0213790.0 [0,0,0,1,0,0|1,1,1]=4 68 B8R1.5 C=C1CCCCC1C CNP0595985.0 [0,0,0,1,0,0|2,0,1]=4 69 B8R1.49 C1=CCCCCC=C1 CNP0084968.0 [0,0,0,1,0,0|2,0,1]=4 70 B8R1.49 C1=CCCCCCC1 CNP0354381.0 [0,0,0,1,0,0|2,0,1]=4 71 B5R0.2 C=CCCC#N CNP0248596.0 [2,0,0,0,0,0|0,0,2]=4 72 B5R0.2 C=CCCC=C CNP0079781.0 [2,0,0,0,0,0|0,0,2]=4 73 B5R0.2 C=CCCC=O CNP0076959.0 [2,0,0,0,0,0|0,1,1]=4 74 B5R0.2 C=CCCCC CNP0264947.0 [2,0,0,0,0,0|0,0,1]=3 75 B5R0.2 C=CCCCO CNP0003396.0 [2,0,0,0,0,0|0,1,0]=3 76 B5R0.2 C=CCN=C=S CNP0329428.0 [2,0,0,0,0,0|0,0,0]=2 77 B5R0.2 C=CCN=[N+]=[N-] CNP0564364.0 [2,0,0,0,0,0|2,0,0]=4 78 B5R0.2 C=CCSCC CNP0261096.0 [2,0,0,0,0,0|1,0,1]=4 79 B5R0.2 C=CC[N+]=C=S CNP0590911.0 [2,0,0,0,0,0|0,0,0]=2 80 B5R0.2 CCCCC=O CNP0361186.0 [2,0,0,0,0,0|1,0,1]=4 81 B5R0.2 CCCN=C=S CNP0077279.0 [2,0,0,0,0,0|0,0,0]=2 82 B5R0.2 NCCCC=O CNP0359033.0 [2,0,0,0,0,0|1,0,1]=4 83 B7R0.3 C=CC(C)CCCC CNP0354372.0 [1,1,0,0,0,0|1,0,1]=4 84 B7R0.3 C=CC(C)CN=C=S CNP0075379.0 [1,1,0,0,0,0|0,0,0]=2 85 B7R0.3 C=CC(Cl)CCCC CNP0275370.0 [1,1,0,0,0,0|1,0,1]=4 86 B7R0.3 C=CCC[C@@H](Br)CBr CNP0342549.2 [1,1,0,0,0,0|1,0,1]=4 87 B7R0.3 C=CCC[C@H](Br)CBr CNP0342549.1 [1,1,0,0,0,0|1,0,1]=4 88 B7R0.3 C=C[C@H](O)CCCC CNP0076908.1 [1,1,0,0,0,0|1,0,1]=4 89 B7R0.3 CC[C@H](C)CN=C=S CNP0333969.1 [1,1,0,0,0,0|0,0,1]=3 90 B7R0.4 C=C(C)CCN=C=S CNP0114096.0 [1,1,0,0,0,0|0,0,0]=2 91 B7R0.4 C=C(O)CCCCC CNP0475201.0 [1,1,0,0,0,0|1,0,1]=4 92 B7R0.4 C=CCCCC(=O)O CNP0553840.0 [1,1,0,0,0,0|0,1,1]=4 93 B7R0.4 C=CCCCC(C)C CNP0359236.0 [1,1,0,0,0,0|1,0,1]=4 94 B7R0.4 C=CCCNC(=S)N CNP0147601.0 [1,1,0,0,0,0|0,0,2]=4 95 B7R0.4 CC(C)CCN=C=S CNP0085995.0 [1,1,0,0,0,0|0,0,1]=3 96 B7R0.4 C[S@+]([O-])CCN=C=S CNP0519953.1 [1,1,0,0,0,0|1,0,1]=4 97 B7R0.4 C[S@H+]([O-])CCN=C=S CNP0547204.1 [1,1,0,0,0,0|1,0,1]=4 98 B9R0.2 CS(O)C=CCCN=C=S CNP0333316.0 [0,2,0,0,0,0|0,0,2]=4 99 B9R0.2 CS(O)CCCCN=C=S CNP0368937.0 [0,2,0,0,0,0|0,0,2]=4 100 B9R0.2 C[S@+]([O-])/C=C/CCN=C=S CNP0543780.1 [0,2,0,0,0,0|0,0,2]=4 101 B9R0.2 C[S@+]([O-])CCCCN=C=S CNP0525299.1 [0,2,0,0,0,0|0,0,2]=4 102 B9R0.2 C[S@@+]([O-])CCCCN=C=S CNP0525299.2 [0,2,0,0,0,0|0,0,2]=4 103 B9R0.2 C[S@H+]([O-])/C=C/CCN=C=S CNP0511080.1 [0,2,0,0,0,0|0,0,2]=4 104 B9R0.2 C[S@H+]([O-])CCCCN=C=S CNP0541859.1 [0,2,0,0,0,0|0,0,2]=4 105 B9R0.45 C=CCCCCCN=C=S CNP0053316.0 [0,2,0,0,0,0|0,0,0]=2 106 B9R0.45 CSCCCCCN=C=S CNP0328420.0 [0,2,0,0,0,0|0,0,2]=4 107 B9R0.46 COC(=O)CCCN=C=S CNP0075378.0 [0,2,0,0,0,0|0,0,1]=3 108 B9R0.38 CS(=O)(=O)CCCN=C=S CNP0382418.0 [0,2,0,0,0,0|1,0,1]=4 109 B7R1.3 C=C1CCCCC1 CNP0312009.0 [1,0,0,1,0,0|1,0,1]=4 110 B7R1.3 O=C1C=CCCC1 CNP0212151.0 [1,0,0,1,0,0|0,1,1]=4 111 B7R1.3 OC1=NCCC=C1 CNP0563692.0 [1,0,0,1,0,0|0,1,1]=4 112 B7R1.3 O[C@@H]1C=CCCC1 CNP0239826.2 [1,0,0,1,0,0|0,1,1]=4 113 B7R1.3 O[C@H]1C=CCCC1 CNP0239826.1 [1,0,0,1,0,0|0,1,1]=4 114 B7R1.5 C=C1C[C@@H]1CC#N CNP0326254.1 [1,0,0,1,0,0|1,0,1]=4 115 B7R1.24 C1=CCCCC=C1 CNP0610332.0 [1,0,0,1,0,0|1,0,1]=4 116 B9R1.7 C=CC[C@H]1CN=C(O1)S CNP0609282.1 [0,1,0,1,0,0|0,0,2]=4 117 B9R1.7 C=CC[C@H]1CNC(=S)O1 CNP0146659.1 [0,1,0,1,0,0|0,0,2]=4 118 B9R1.8 S=C=NC1CCCCC1 CNP0109516.0 [0,1,0,1,0,0|0,0,2]=4