0 B7R1.3 BrC1CCCCC1 CNP0085881.0 [0,0,0,0,0,0|2,0,0]=2 1 B7R1.3 C=C1CCCCC1 CNP0312009.0 [0,0,0,0,0,0|1,0,2]=3 2 B7R1.3 CC1=CC=CCC1 CNP0238161.0 [0,0,0,0,0,0|1,0,3]=4 3 B7R1.3 CC1=CCC=CC1 CNP0481094.0 [0,0,0,0,0,0|1,0,3]=4 4 B7R1.3 CC1=CCCCC1 CNP0369235.0 [0,0,0,0,0,0|1,0,1]=2 5 B7R1.3 CC1CCCCC1 CNP0191222.0 [0,0,0,0,0,0|1,0,0]=1 6 B7R1.3 CC1CCCCO1 CNP0292894.0 [0,0,0,0,0,0|1,0,0]=1 7 B7R1.3 CC1CCNCC1 CNP0080033.0 [0,0,0,0,0,0|2,0,0]=2 8 B7R1.3 CC1CCOCO1 CNP0130543.0 [0,0,0,0,0,0|2,0,0]=2 9 B7R1.3 CC1SCCSS1 CNP0344509.0 [0,0,0,0,0,0|3,0,0]=3 10 B7R1.3 CN1CCCCC1 CNP0325316.0 [0,0,0,0,0,0|2,0,0]=2 11 B7R1.3 CN1CCOCC1 CNP0225764.0 [0,0,0,0,0,0|3,0,0]=3 12 B7R1.3 C[C@@H]1CC=CCC1 CNP0110127.1 [0,0,0,0,0,0|1,0,2]=3 13 B7R1.3 C[C@@H]1CCCCN1 CNP0238241.1 [0,0,0,0,0,0|0,0,0]=0 14 B7R1.3 C[C@@H]1CCSSS1 CNP0310531.2 [0,0,0,0,0,0|3,0,0]=3 15 B7R1.3 C[C@@H]1OCCCS1 CNP0153942.1 [0,0,0,0,0,0|2,0,0]=2 16 B7R1.3 C[C@H]1CCCCN1 CNP0238241.2 [0,0,0,0,0,0|0,0,0]=0 17 B7R1.3 C[C@H]1CCSSS1 CNP0310531.1 [0,0,0,0,0,0|3,0,0]=3 18 B7R1.3 C[C@H]1CSSSS1 CNP0251938.1 [0,0,0,0,0,0|4,0,0]=4 19 B7R1.3 NC1CCCCC1 CNP0149842.0 [0,0,0,0,0,0|2,0,0]=2 20 B7R1.3 N[C@@H]1CCC=NC1 CNP0491265.1 [0,0,0,0,0,0|3,0,1]=4 21 B7R1.3 O=C1C=CCCC1 CNP0212151.0 [0,0,0,0,0,0|2,0,2]=4 22 B7R1.3 O=C1C=CCCN1 CNP0306654.0 [0,0,0,0,0,0|1,0,3]=4 23 B7R1.3 O=C1CCCC=N1 CNP0335756.0 [0,0,0,0,0,0|1,0,3]=4 24 B7R1.3 O=C1CCCCC1 CNP0271526.0 [0,0,0,0,0,0|2,0,1]=3 25 B7R1.3 O=C1CCCCN1 CNP0142808.0 [0,0,0,0,0,0|1,0,1]=2 26 B7R1.3 O=C1CCCCO1 CNP0237404.0 [0,0,0,0,0,0|2,0,1]=3 27 B7R1.3 O=C1CCNCC1 CNP0212699.0 [0,0,0,0,0,0|3,0,1]=4 28 B7R1.3 O=C1COCCN1 CNP0517075.0 [0,0,0,0,0,0|2,0,1]=3 29 B7R1.3 OC1=CCCCC1 CNP0083987.0 [0,0,0,0,0,0|2,0,1]=3 30 B7R1.3 OC1=NCCCC1 CNP0547052.0 [0,0,0,0,0,0|1,0,2]=3 31 B7R1.3 OC1CC=CCC1 CNP0198711.0 [0,0,0,0,0,0|2,0,2]=4 32 B7R1.3 OC1CCCCC1 CNP0213861.0 [0,0,0,0,0,0|2,0,0]=2 33 B7R1.3 OC1COCOC1 CNP0567932.0 [0,0,0,0,0,0|4,0,0]=4 34 B7R1.3 O[C@@H]1C=CCCC1 CNP0239826.2 [0,0,0,0,0,0|2,0,1]=3 35 B7R1.3 O[C@H]1C=CCCC1 CNP0239826.1 [0,0,0,0,0,0|2,0,1]=3 36 B7R1.3 S=C1NCCCO1 CNP0326797.0 [0,0,0,0,0,0|2,0,1]=3 37 B7R1.3 [O-][S+]1CCCSC1 CNP0547147.0 [0,0,0,0,0,0|4,0,0]=4 38 B6R1.1 C1=CCCCC1 CNP0275665.0 [1,0,0,0,0,0|1,0,1]=3 39 B6R1.1 C1=CCNCC1 CNP0086452.0 [1,0,0,0,0,0|0,0,2]=3 40 B6R1.1 C1=CNCCC1 CNP0200592.0 [1,0,0,0,0,0|0,0,2]=3 41 B6R1.1 C1=COCCC1 CNP0583467.0 [1,0,0,0,0,0|1,0,2]=4 42 B6R1.1 C1=NCCCC1 CNP0139263.0 [1,0,0,0,0,0|0,0,2]=3 43 B6R1.1 C1CCCCC1 CNP0220772.0 [1,0,0,0,0,0|1,0,0]=2 44 B6R1.1 C1CCNCC1 CNP0153358.0 [1,0,0,0,0,0|0,0,0]=1 45 B6R1.1 C1CCOCC1 CNP0484551.0 [1,0,0,0,0,0|1,0,0]=2 46 B6R1.1 C1CNCCN1 CNP0389558.0 [1,0,0,0,0,0|1,0,0]=2 47 B6R1.1 C1CNCCN1 CNP0554301.0 [1,0,0,0,0,0|1,0,0]=2 48 B6R1.1 C1COCCN1 CNP0167865.0 [1,0,0,0,0,0|1,0,0]=2 49 B6R1.1 C1COCCO1 CNP0353166.0 [1,0,0,0,0,0|2,0,0]=3 50 B6R1.1 C1COCSC1 CNP0517977.0 [1,0,0,0,0,0|2,0,0]=3 51 B6R1.1 C1CSCCS1 CNP0316640.0 [1,0,0,0,0,0|2,0,0]=3 52 B6R1.1 C1CSCSC1 CNP0221424.0 [1,0,0,0,0,0|2,0,0]=3 53 B6R1.1 C1CSSCS1 CNP0173795.0 [1,0,0,0,0,0|3,0,0]=4 54 B6R1.1 C1CSSSC1 CNP0124260.0 [1,0,0,0,0,0|3,0,0]=4 55 B6R1.1 C1SCSCS1 CNP0146146.0 [1,0,0,0,0,0|3,0,0]=4 56 B6R1.1 C1[SiH2]C[SiH2]C[SiH2]1 CNP0127858.0 [1,0,0,0,0,0|1,2,0]=4 57 B6R1.1 [CH]1C=CCCC1 CNP0541179.0 [1,0,0,0,0,0|1,0,2]=4 58 B8R1.2 BrC[C@@H]1C=CCCC1 CNP0302852.1 [0,1,0,0,0,0|1,0,1]=3 59 B8R1.2 C=CC1=CCCCC1 CNP0552641.0 [0,1,0,0,0,0|1,0,2]=4 60 B8R1.2 CCC1=CCCCC1 CNP0080676.0 [0,1,0,0,0,0|1,0,1]=3 61 B8R1.2 CCC1CCCCC1 CNP0300322.0 [0,1,0,0,0,0|1,0,0]=2 62 B8R1.2 CCN1CCOCC1 CNP0382188.0 [0,1,0,0,0,0|3,0,0]=4 63 B8R1.2 CC[C@@H]1CCCCO1 CNP0273678.2 [0,1,0,0,0,0|1,0,0]=2 64 B8R1.2 CC[C@H]1C=CCCC1 CNP0103483.1 [0,1,0,0,0,0|1,0,1]=3 65 B8R1.2 CC[C@H]1CCCCO1 CNP0273678.1 [0,1,0,0,0,0|1,0,0]=2 66 B8R1.2 CNC1CCCCC1 CNP0474937.0 [0,1,0,0,0,0|1,0,0]=2 67 B8R1.2 COC1=CCCCC1 CNP0354574.0 [0,1,0,0,0,0|1,0,1]=3 68 B8R1.2 N=C=C1CCCCC1 CNP0105477.0 [0,1,0,0,0,0|1,0,2]=4 69 B8R1.2 NCC1CCCCC1 CNP0581484.0 [0,1,0,0,0,0|1,0,0]=2 70 B8R1.2 NCC1CCOCC1 CNP0398955.0 [0,1,0,0,0,0|2,0,0]=3 71 B8R1.2 O=CC1=CCCCC1 CNP0075083.0 [0,1,0,0,0,0|1,0,2]=4 72 B8R1.2 O=CC1CCCCC1 CNP0419979.0 [0,1,0,0,0,0|1,0,1]=3 73 B8R1.2 O=CN1CCCCC1 CNP0187689.0 [0,1,0,0,0,0|2,0,1]=4 74 B8R1.2 O=NN1CCCCC1 CNP0313974.0 [0,1,0,0,0,0|3,0,0]=4 75 B8R1.2 OCC1=CCCCC1 CNP0075365.0 [0,1,0,0,0,0|1,0,1]=3 76 B8R1.2 OCC1C=CCCC1 CNP0213790.0 [0,1,0,0,0,0|1,0,1]=3 77 B8R1.2 OCC1CCCCN1 CNP0335046.0 [0,1,0,0,0,0|0,0,0]=1 78 B8R1.2 OC[C@@H]1CC=CCC1 CNP0119836.2 [0,1,0,0,0,0|1,0,2]=4 79 B8R1.2 OC[C@@H]1CCCOC1 CNP0568032.1 [0,1,0,0,0,0|2,0,0]=3 80 B8R1.2 OC[C@H]1CC=CCC1 CNP0119836.1 [0,1,0,0,0,0|1,0,2]=4 81 B8R1.2 OC[C@H]1CCCCO1 CNP0281977.1 [0,1,0,0,0,0|1,0,0]=2 82 B8R1.2 OC[C@H]1CCCOC1 CNP0568032.2 [0,1,0,0,0,0|2,0,0]=3 83 B8R1.2 ON=C1CCCCC1 CNP0102527.0 [0,1,0,0,0,0|2,0,1]=4 84 B8R1.2 [C-]#[N+]C1CCCCC1 CNP0554147.0 [0,1,0,0,0,0|1,0,1]=3 85 B8R1.3 CC1=CCC(=O)CC1 CNP0134778.0 [0,1,0,0,0,0|1,0,2]=4 86 B8R1.3 CC1CCC(=O)CC1 CNP0165916.0 [0,1,0,0,0,0|1,0,1]=3 87 B8R1.3 CC1CCC(=O)CO1 CNP0611860.0 [0,1,0,0,0,0|1,0,1]=3 88 B8R1.3 CC1CCN(CC1)C CNP0529817.0 [0,1,0,0,0,0|2,0,0]=3 89 B8R1.3 CN1CCC(=O)CC1 CNP0180189.0 [0,1,0,0,0,0|2,0,1]=4 90 B8R1.3 CN1CCN(CC1)C CNP0276913.0 [0,1,0,0,0,0|3,0,0]=4 91 B8R1.3 C[C@@H]1CC[C@H](SC1)C CNP0511426.1 [0,1,0,0,0,0|1,0,0]=2 92 B8R1.3 C[C@H]1CC[C@@H](CC1)C CNP0167737.2 [0,1,0,0,0,0|1,0,0]=2 93 B8R1.3 C[C@H]1CC[C@@H](CC1)O CNP0179489.1 [0,1,0,0,0,0|1,0,0]=2 94 B8R1.3 C[C@H]1CC[C@H](CC1)C CNP0167737.1 [0,1,0,0,0,0|1,0,0]=2 95 B8R1.3 OC1COC(CO1)O CNP0129364.0 [0,1,0,0,0,0|3,0,0]=4 96 B8R1.3 OC1CSC(CS1)O CNP0309516.0 [0,1,0,0,0,0|3,0,0]=4 97 B8R1.4 CC1=CC(=O)CCC1 CNP0209762.0 [0,1,0,0,0,0|1,0,2]=4 98 B8R1.4 CC1=CC(CCC1)C CNP0085833.0 [0,1,0,0,0,0|1,0,1]=3 99 B8R1.4 CC1=CCCC(=O)C1 CNP0076330.0 [0,1,0,0,0,0|1,0,2]=4 100 B8R1.4 CC1=CCCC(C1)O CNP0351530.0 [0,1,0,0,0,0|1,0,1]=3 101 B8R1.4 CC1=CCC[C@H](O1)C CNP0262118.1 [0,1,0,0,0,0|1,0,2]=4 102 B8R1.4 CC1=C[C@@H](CCC1)O CNP0215038.1 [0,1,0,0,0,0|1,0,1]=3 103 B8R1.4 CC1CCOC(=O)C1 CNP0282964.0 [0,1,0,0,0,0|2,0,1]=4 104 B8R1.4 CC1NC(SCS1)C CNP0059396.0 [0,1,0,0,0,0|2,0,0]=3 105 B8R1.4 CN1CCOC(C1)O CNP0001228.0 [0,1,0,0,0,0|3,0,0]=4 106 B8R1.4 C[C@@H]1CCCC(=O)C1 CNP0243495.2 [0,1,0,0,0,0|1,0,1]=3 107 B8R1.4 C[C@@H]1CCCC(=O)O1 CNP0340427.1 [0,1,0,0,0,0|1,0,1]=3 108 B8R1.4 C[C@@H]1CCC[C@@H](C1)C CNP0169936.1 [0,1,0,0,0,0|1,0,0]=2 109 B8R1.4 C[C@@H]1CCC[C@@H](C1)O CNP0155717.1 [0,1,0,0,0,0|1,0,0]=2 110 B8R1.4 C[C@@H]1CCC[C@@H](N1)C CNP0277987.1 [0,1,0,0,0,0|0,0,0]=1 111 B8R1.4 C[C@@H]1CCC[C@H](C1)C CNP0169936.2 [0,1,0,0,0,0|1,0,0]=2 112 B8R1.4 C[C@@H]1CCC[C@H](C1)O CNP0155717.2 [0,1,0,0,0,0|1,0,0]=2 113 B8R1.4 C[C@@H]1CCC[C@H](N1)C CNP0277987.2 [0,1,0,0,0,0|0,0,0]=1 114 B8R1.4 C[C@H]1CCCC(=O)C1 CNP0243495.1 [0,1,0,0,0,0|1,0,1]=3 115 B8R1.4 C[C@H]1CCCC(=O)O1 CNP0340427.2 [0,1,0,0,0,0|1,0,1]=3 116 B8R1.4 C[C@H]1CCC[C@@H](C1)O CNP0155717.3 [0,1,0,0,0,0|1,0,0]=2 117 B8R1.4 C[C@H]1CCC[C@H](C1)O CNP0155717.4 [0,1,0,0,0,0|1,0,0]=2 118 B8R1.4 C[C@H]1CCNC(=S)O1 CNP0313391.1 [0,1,0,0,0,0|2,0,1]=4 119 B8R1.4 C[C@H]1OCC[C@@H](O1)C CNP0515975.1 [0,1,0,0,0,0|2,0,0]=3 120 B8R1.4 C[C@H]1SSC[C@@H](S1)C CNP0523637.1 [0,1,0,0,0,0|3,0,0]=4 121 B8R1.5 C=C1CCCCC1C CNP0595985.0 [0,1,0,0,0,0|1,0,0]=2 122 B8R1.5 CC1=CCCC[C@@H]1O CNP0368729.1 [0,1,0,0,0,0|1,0,1]=3 123 B8R1.5 CC1CCCC=C1Cl CNP0566805.0 [0,1,0,0,0,0|1,0,1]=3 124 B8R1.5 CC1CCCCC1=O CNP0003363.0 [0,1,0,0,0,0|1,0,0]=2 125 B8R1.5 CC1CCCCC1O CNP0610101.0 [0,1,0,0,0,0|1,0,0]=2 126 B8R1.5 CC1CCCOC1=O CNP0340524.0 [0,1,0,0,0,0|2,0,0]=3 127 B8R1.5 C[C@@H]1CCCC[C@@H]1C CNP0309502.2 [0,1,0,0,0,0|1,0,0]=2 128 B8R1.5 C[C@@H]1CCCC[C@H]1C CNP0309502.1 [0,1,0,0,0,0|1,0,0]=2 129 B8R1.5 N[C@@H]1CCCC[C@@H]1O CNP0462389.2 [0,1,0,0,0,0|2,0,0]=3 130 B8R1.5 N[C@@H]1CCCC[C@H]1O CNP0462389.4 [0,1,0,0,0,0|2,0,0]=3 131 B8R1.5 N[C@@H]1CCCNC1=O CNP0274946.1 [0,1,0,0,0,0|1,0,1]=3 132 B8R1.5 N[C@H]1CCCC[C@@H]1O CNP0462389.1 [0,1,0,0,0,0|2,0,0]=3 133 B8R1.5 N[C@H]1CCCC[C@H]1O CNP0462389.3 [0,1,0,0,0,0|2,0,0]=3 134 B8R1.5 O=C1CCCCC1=O CNP0610133.0 [0,1,0,0,0,0|2,0,1]=4 135 B8R1.5 O=C1CCCCC1O CNP0610127.0 [0,1,0,0,0,0|2,0,0]=3 136 B8R1.5 O[C@@H]1CCCC[C@@H]1O CNP0125386.2 [0,1,0,0,0,0|2,0,0]=3 137 B8R1.5 O[C@@H]1CCCC[C@H]1Cl CNP0338357.1 [0,1,0,0,0,0|2,0,0]=3 138 B8R1.5 O[C@@H]1CCCC[C@H]1O CNP0125386.1 [0,1,0,0,0,0|2,0,0]=3 139 B8R1.5 O[C@H]1CCCC[C@@H]1O CNP0125386.3 [0,1,0,0,0,0|2,0,0]=3 140 B8R1.72 CC1(CCCCC1)C CNP0281819.0 [0,1,0,0,0,0|1,0,0]=2 141 B8R1.72 CC1(CCCCC1)O CNP0084309.0 [0,1,0,0,0,0|1,0,0]=2 142 B8R1.72 C[C@@]1(C=CCCC1)O CNP0241347.2 [0,1,0,0,0,0|1,0,1]=3 143 B8R1.72 C[C@]1(C=CCCC1)O CNP0241347.1 [0,1,0,0,0,0|1,0,1]=3 144 B8R1.72 C[N+]1(CCCCC1)[O-] CNP0052569.0 [0,1,0,0,0,0|2,0,0]=3 145 B6R0.1 C#C[C@@H](O)CCC CNP0226736.1 [0,0,1,0,0,0|2,0,1]=4 146 B6R0.1 C#C[C@H](O)CCC CNP0226736.2 [0,0,1,0,0,0|2,0,1]=4 147 B6R0.1 C=C([CH]CC)CC CNP0529223.0 [0,0,1,0,0,0|1,0,2]=4 148 B6R0.1 C=C[C@H](O)CCC CNP0193104.1 [0,0,1,0,0,0|2,0,1]=4 149 B6R0.1 CC=C(C)CSC CNP0003230.0 [0,0,1,0,0,0|2,0,1]=4 150 B6R0.1 CCC(Br)CCBr CNP0612222.0 [0,0,1,0,0,0|3,0,0]=4 151 B6R0.1 CCC(C)C=NO CNP0605626.0 [0,0,1,0,0,0|3,0,0]=4 152 B6R0.1 CCC(C)CC=O CNP0531748.0 [0,0,1,0,0,0|2,0,1]=4 153 B6R0.1 CCC(C)NC=O CNP0583042.0 [0,0,1,0,0,0|1,0,1]=3 154 B6R0.1 CCC(C)OC=O CNP0570369.0 [0,0,1,0,0,0|2,0,1]=4 155 B6R0.1 CCC(C)ON=O CNP0521211.0 [0,0,1,0,0,0|3,0,0]=4 156 B6R0.1 CCC=C(C)CO CNP0511576.0 [0,0,1,0,0,0|2,0,1]=4 157 B6R0.1 CCCC(=NO)C CNP0211014.0 [0,0,1,0,0,0|1,0,2]=4 158 B6R0.1 CCCC(=O)CC CNP0248158.0 [0,0,1,0,0,0|2,0,1]=4 159 B6R0.1 CCCC(=O)OC CNP0159910.0 [0,0,1,0,0,0|2,0,1]=4 160 B6R0.1 CCCC(=O)SC CNP0084452.0 [0,0,1,0,0,0|2,0,1]=4 161 B6R0.1 CCCC(C)C#N CNP0583202.0 [0,0,1,0,0,0|2,0,0]=3 162 B6R0.1 CCC[C@@H](C)C=O CNP0370387.1 [0,0,1,0,0,0|2,0,0]=3 163 B6R0.1 CCC[C@@H](C)CC CNP0407855.1 [0,0,1,0,0,0|1,0,0]=2 164 B6R0.1 CCC[C@@H](C)CO CNP0356704.1 [0,0,1,0,0,0|2,0,0]=3 165 B6R0.1 CCC[C@@H](C)SC CNP0188673.1 [0,0,1,0,0,0|1,0,0]=2 166 B6R0.1 CCC[C@@H](O)CC CNP0346810.2 [0,0,1,0,0,0|2,0,0]=3 167 B6R0.1 CCC[C@H](C)CC CNP0407855.2 [0,0,1,0,0,0|1,0,0]=2 168 B6R0.1 CCC[C@H](C)CO CNP0356704.2 [0,0,1,0,0,0|2,0,0]=3 169 B6R0.1 CCC[C@H](C)NC CNP0298650.1 [0,0,1,0,0,0|0,0,0]=1 170 B6R0.1 CCC[C@H](O)CC CNP0346810.1 [0,0,1,0,0,0|2,0,0]=3 171 B6R0.1 CCC[S+]([O-])SC CNP0596263.0 [0,0,1,0,0,0|3,0,0]=4 172 B6R0.1 CCNC(=O)CC CNP0586892.0 [0,0,1,0,0,0|1,0,1]=3 173 B6R0.1 CCNC(=O)OC CNP0585352.0 [0,0,1,0,0,0|2,0,1]=4 174 B6R0.1 CCOC(=O)CC CNP0169171.0 [0,0,1,0,0,0|2,0,1]=4 175 B6R0.1 CCOC(=O)NC CNP0565390.0 [0,0,1,0,0,0|2,0,1]=4 176 B6R0.1 CCOC(C)CC CNP0086282.0 [0,0,1,0,0,0|1,0,0]=2 177 B6R0.1 CCOC(C)OC CNP0612171.0 [0,0,1,0,0,0|2,0,0]=3 178 B6R0.1 CCO[C@H](C)OO CNP0135079.1 [0,0,1,0,0,0|3,0,0]=4 179 B6R0.1 CCSC(=O)CC CNP0265303.0 [0,0,1,0,0,0|2,0,1]=4 180 B6R0.1 CCSC(C)SC CNP0611888.0 [0,0,1,0,0,0|2,0,0]=3 181 B6R0.1 CCSC(S)CC CNP0488688.0 [0,0,1,0,0,0|2,0,0]=3 182 B6R0.1 CC[C@@H](C)CCO CNP0260863.2 [0,0,1,0,0,0|2,0,0]=3 183 B6R0.1 CC[C@@H](C)N=C=S CNP0416348.1 [0,0,1,0,0,0|1,0,2]=4 184 B6R0.1 CC[C@@H](C)SSC CNP0348346.1 [0,0,1,0,0,0|2,0,0]=3 185 B6R0.1 CC[C@H](C)CCO CNP0260863.1 [0,0,1,0,0,0|2,0,0]=3 186 B6R0.1 CC[C@H](C)N=C=S CNP0416348.2 [0,0,1,0,0,0|1,0,2]=4 187 B6R0.1 CSC(C)CC=O CNP0002406.0 [0,0,1,0,0,0|2,0,1]=4 188 B6R0.4 C=C(C)CCSC CNP0330891.0 [0,0,1,0,0,0|2,0,1]=4 189 B6R0.4 C=CCCC(C)O CNP0519217.0 [0,0,1,0,0,0|1,0,2]=4 190 B6R0.4 C=CCSC(C)C CNP0309084.0 [0,0,1,0,0,0|1,0,2]=4 191 B6R0.4 CC(=CCCN)C CNP0568876.0 [0,0,1,0,0,0|2,0,1]=4 192 B6R0.4 CC(=CCCO)C CNP0410779.0 [0,0,1,0,0,0|2,0,1]=4 193 B6R0.4 CC(=O)NCCN CNP0182526.0 [0,0,1,0,0,0|2,0,1]=4 194 B6R0.4 CC(=O)NCCO CNP0304709.0 [0,0,1,0,0,0|2,0,1]=4 195 B6R0.4 CC(=O)NCCS CNP0516453.0 [0,0,1,0,0,0|2,0,1]=4 196 B6R0.4 CC(C)CCC#N CNP0386277.0 [0,0,1,0,0,0|2,0,1]=4 197 B6R0.4 CC(C)CCC=O CNP0198082.0 [0,0,1,0,0,0|2,0,1]=4 198 B6R0.4 CC(C)CCCO CNP0344466.0 [0,0,1,0,0,0|2,0,0]=3 199 B6R0.4 CC(C)NCCN CNP0082470.0 [0,0,1,0,0,0|1,0,0]=2 200 B6R0.4 CC(C)NCCO CNP0141461.0 [0,0,1,0,0,0|1,0,0]=2 201 B6R0.4 CC(C)OCCO CNP0079907.0 [0,0,1,0,0,0|2,0,0]=3 202 B6R0.4 CC=CCC(C)C CNP0081831.0 [0,0,1,0,0,0|1,0,2]=4 203 B6R0.4 CC=CCC(C)O CNP0217280.0 [0,0,1,0,0,0|1,0,2]=4 204 B6R0.4 CCCC=C(C)O CNP0268446.0 [0,0,1,0,0,0|1,0,2]=4 205 B6R0.4 CCCCB(O)O CNP0482760.0 [0,0,1,0,0,0|3,0,0]=4 206 B6R0.4 CCCCC(=O)C CNP0194685.0 [0,0,1,0,0,0|1,0,1]=3 207 B6R0.4 CCCCC(=O)N CNP0248834.0 [0,0,1,0,0,0|1,0,1]=3 208 B6R0.4 CCCCC(=O)O CNP0144818.0 [0,0,1,0,0,0|2,0,1]=4 209 B6R0.4 CCCCC(C)C CNP0312749.0 [0,0,1,0,0,0|1,0,0]=2 210 B6R0.4 CCCC[11C](=O)O CNP0540258.0 [0,0,1,0,0,0|2,0,1]=4 211 B6R0.4 CCCC[C@@H](C)O CNP0276755.1 [0,0,1,0,0,0|1,0,0]=2 212 B6R0.4 CCCC[C@H](C)O CNP0276755.2 [0,0,1,0,0,0|1,0,0]=2 213 B6R0.4 CCCNC(=O)C CNP0115400.0 [0,0,1,0,0,0|1,0,1]=3 214 B6R0.4 CCCOC(=O)C CNP0274142.0 [0,0,1,0,0,0|2,0,1]=4 215 B6R0.4 CCCSC(=O)C CNP0076500.0 [0,0,1,0,0,0|2,0,1]=4 216 B6R0.4 CCCSC(C)C CNP0228244.0 [0,0,1,0,0,0|1,0,0]=2 217 B6R0.4 CCCSC(C)S CNP0609747.0 [0,0,1,0,0,0|2,0,0]=3 218 B6R0.4 CCCS[S+](C)[O-] CNP0597218.0 [0,0,1,0,0,0|3,0,0]=4 219 B6R0.4 CCNCC(C)C CNP0165310.0 [0,0,1,0,0,0|2,0,0]=3 220 B6R0.4 CCOCC(=O)N CNP0329352.0 [0,0,1,0,0,0|2,0,1]=4 221 B6R0.4 CCOC[C@@H](C)O CNP0076159.1 [0,0,1,0,0,0|2,0,0]=3 222 B6R0.4 CCSCC(C)C CNP0208462.0 [0,0,1,0,0,0|2,0,0]=3 223 B6R0.4 CCSSC(C)C CNP0003135.0 [0,0,1,0,0,0|2,0,0]=3 224 B6R0.4 CNCCC(C)C CNP0254439.0 [0,0,1,0,0,0|2,0,0]=3 225 B6R0.4 COCC=C(C)C CNP0493784.0 [0,0,1,0,0,0|2,0,1]=4 226 B6R0.4 COCCC(C)C CNP0316382.0 [0,0,1,0,0,0|2,0,0]=3 227 B6R0.4 COCCN(C)C CNP0429553.0 [0,0,1,0,0,0|3,0,0]=4 228 B6R0.4 CSCCC(=O)C CNP0353152.0 [0,0,1,0,0,0|2,0,1]=4 229 B6R0.4 CSCCC(=O)N CNP0220146.0 [0,0,1,0,0,0|2,0,1]=4 230 B6R0.4 CSCC[C@@H](C)O CNP0206291.1 [0,0,1,0,0,0|2,0,0]=3 231 B6R0.4 C[S@+]([O-])CCCN CNP0591601.1 [0,0,1,0,0,0|3,0,0]=4 232 B6R0.4 C[S@H+]([O-])CCCN CNP0545944.1 [0,0,1,0,0,0|3,0,0]=4 233 B6R0.4 NC(=O)CCCO CNP0573523.0 [0,0,1,0,0,0|2,0,1]=4 234 B6R0.6 C#CCCCCO CNP0289179.0 [0,0,1,0,0,0|1,0,2]=4 235 B6R0.6 C=CCCCCC CNP0226691.0 [0,0,1,0,0,0|1,0,1]=3 236 B6R0.6 C=CCCCCO CNP0162421.0 [0,0,1,0,0,0|1,0,2]=4 237 B6R0.6 C=CCSCCC CNP0150756.0 [0,0,1,0,0,0|2,0,1]=4 238 B6R0.6 C=COCCCC CNP0077236.0 [0,0,1,0,0,0|1,0,2]=4 239 B6R0.6 CC#CCCCO CNP0320046.0 [0,0,1,0,0,0|1,0,2]=4 240 B6R0.6 CC=CCCCC CNP0158475.0 [0,0,1,0,0,0|1,0,1]=3 241 B6R0.6 CC=CCCCO CNP0309139.0 [0,0,1,0,0,0|1,0,2]=4 242 B6R0.6 CC=CCSCC CNP0575773.0 [0,0,1,0,0,0|1,0,2]=4 243 B6R0.6 CC=CSCCC CNP0320861.0 [0,0,1,0,0,0|2,0,1]=4 244 B6R0.6 CCC#CCCO CNP0170517.0 [0,0,1,0,0,0|1,0,2]=4 245 B6R0.6 CCC=C=CCC CNP0518397.0 [0,0,1,0,0,0|1,0,2]=4 246 B6R0.6 CCC=CCCC CNP0391454.0 [0,0,1,0,0,0|1,0,1]=3 247 B6R0.6 CCC=CCCO CNP0255718.0 [0,0,1,0,0,0|1,0,2]=4 248 B6R0.6 CCCC#CCO CNP0314465.0 [0,0,1,0,0,0|1,0,2]=4 249 B6R0.6 CCCC=CCO CNP0254124.0 [0,0,1,0,0,0|1,0,2]=4 250 B6R0.6 CCCCC=CO CNP0511187.0 [0,0,1,0,0,0|1,0,2]=4 251 B6R0.6 CCCCC=NO CNP0149695.0 [0,0,1,0,0,0|2,0,1]=4 252 B6R0.6 CCCCCC#N CNP0412353.0 [0,0,1,0,0,0|0,0,2]=3 253 B6R0.6 CCCCCC=O CNP0304790.0 [0,0,1,0,0,0|1,0,1]=3 254 B6R0.6 CCCCCCC CNP0290800.0 [0,0,1,0,0,0|1,0,0]=2 255 B6R0.6 CCCCCCN CNP0213933.0 [0,0,1,0,0,0|0,0,0]=1 256 B6R0.6 CCCCCCO CNP0317600.0 [0,0,1,0,0,0|1,0,0]=2 257 B6R0.6 CCCCCCS CNP0167948.0 [0,0,1,0,0,0|1,0,0]=2 258 B6R0.6 CCCCCC[O-] CNP0579903.0 [0,0,1,0,0,0|1,0,0]=2 259 B6R0.6 CCCCCNC CNP0276164.0 [0,0,1,0,0,0|2,0,0]=3 260 B6R0.6 CCCCCOC CNP0358174.0 [0,0,1,0,0,0|2,0,0]=3 261 B6R0.6 CCCCCSC CNP0293012.0 [0,0,1,0,0,0|2,0,0]=3 262 B6R0.6 CCCCCSS CNP0228282.0 [0,0,1,0,0,0|2,0,0]=3 263 B6R0.6 CCCCN=C=S CNP0328773.0 [0,0,1,0,0,0|1,0,2]=4 264 B6R0.6 CCCCNC=O CNP0082472.0 [0,0,1,0,0,0|1,0,1]=3 265 B6R0.6 CCCCOC=O CNP0282325.0 [0,0,1,0,0,0|2,0,1]=4 266 B6R0.6 CCCCON=O CNP0003508.0 [0,0,1,0,0,0|3,0,0]=4 267 B6R0.6 CCCCSSC CNP0532819.0 [0,0,1,0,0,0|2,0,0]=3 268 B6R0.6 CCCNCCC CNP0129820.0 [0,0,1,0,0,0|2,0,0]=3 269 B6R0.6 CCCOCCO CNP0079853.0 [0,0,1,0,0,0|2,0,0]=3 270 B6R0.6 CCCSCCC CNP0173387.0 [0,0,1,0,0,0|2,0,0]=3 271 B6R0.6 CCCSSCC CNP0322971.0 [0,0,1,0,0,0|2,0,0]=3 272 B6R0.6 CCCSSSC CNP0104471.0 [0,0,1,0,0,0|3,0,0]=4 273 B6R0.6 CCOCCCO CNP0304052.0 [0,0,1,0,0,0|2,0,0]=3 274 B6R0.6 CCOCCCS CNP0267296.0 [0,0,1,0,0,0|2,0,0]=3 275 B6R0.6 CCSCCCO CNP0355297.0 [0,0,1,0,0,0|2,0,0]=3 276 B6R0.6 CCSSCSC CNP0003140.0 [0,0,1,0,0,0|3,0,0]=4 277 B6R0.6 CCSSSCC CNP0196220.0 [0,0,1,0,0,0|3,0,0]=4 278 B6R0.6 CNCCCCN CNP0157274.0 [0,0,1,0,0,0|1,0,0]=2 279 B6R0.6 COCCCCO CNP0570905.0 [0,0,1,0,0,0|2,0,0]=3 280 B6R0.6 CSCCCC#N CNP0286857.0 [0,0,1,0,0,0|1,0,2]=4 281 B6R0.6 CSCCCC=O CNP0002814.0 [0,0,1,0,0,0|2,0,1]=4 282 B6R0.6 CSCCCCO CNP0002400.0 [0,0,1,0,0,0|2,0,0]=3 283 B6R0.6 CSCCCN=S CNP0092190.0 [0,0,1,0,0,0|3,0,0]=4 284 B6R0.6 ClCCOCCCl CNP0082891.0 [0,0,1,0,0,0|3,0,0]=4 285 B6R0.6 NCCCCC=O CNP0083786.0 [0,0,1,0,0,0|1,0,1]=3 286 B6R0.6 NCCCCCN CNP0184259.0 [0,0,1,0,0,0|1,0,0]=2 287 B6R0.6 NCCCCCO CNP0032450.0 [0,0,1,0,0,0|1,0,0]=2 288 B6R0.6 NCCOCCN CNP0447264.0 [0,0,1,0,0,0|2,0,0]=3 289 B6R0.6 OCCCCCO CNP0201249.0 [0,0,1,0,0,0|2,0,0]=3 290 B6R0.6 OCCNCCO CNP0247543.0 [0,0,1,0,0,0|3,0,0]=4 291 B6R0.6 OCCOCCO CNP0333860.0 [0,0,1,0,0,0|3,0,0]=4 292 B6R0.6 OCCSCCO CNP0335773.0 [0,0,1,0,0,0|3,0,0]=4 293 B6R0.6 [CH2-]CCCCC#[O+] CNP0596536.0 [0,0,1,0,0,0|1,0,2]=4 294 B8R2.11 C=C1C2C1CCC2 CNP0538845.0 [0,0,0,1,0,0|1,0,2]=4 295 B8R2.25 C1CCC2OC2C1 CNP0609031.0 [0,0,0,1,0,0|2,0,0]=3 296 B8R2.25 C1CC[C@@H]2C[C@H]2C1 CNP0258217.1 [0,0,0,1,0,0|1,0,0]=2 297 B8R2.34 C1CC2OCC1O2 CNP0611976.0 [0,0,0,1,0,0|2,0,0]=3 298 B8R2.38 CC1C=CC2C1C2 CNP0482788.0 [0,0,0,1,0,0|1,0,1]=3 299 B6R1.2 C=C1CCCC1 CNP0338602.0 [0,0,0,0,1,0|0,0,2]=3 300 B6R1.2 CC1=CCCC1 CNP0610106.0 [0,0,0,0,1,0|0,0,2]=3 301 B6R1.2 CC1=CCCS1 CNP0003101.0 [0,0,0,0,1,0|1,0,2]=4 302 B6R1.2 CC1=CCOC1 CNP0516552.0 [0,0,0,0,1,0|1,0,2]=4 303 B6R1.2 CC1=COCC1 CNP0002470.0 [0,0,0,0,1,0|1,0,2]=4 304 B6R1.2 CC1=NCCO1 CNP0601624.0 [0,0,0,0,1,0|1,0,2]=4 305 B6R1.2 CC1=NCCS1 CNP0225264.0 [0,0,0,0,1,0|1,0,2]=4 306 B6R1.2 CC1=NCSC1 CNP0134706.0 [0,0,0,0,1,0|1,0,2]=4 307 B6R1.2 CC1C=COC1 CNP0165220.0 [0,0,0,0,1,0|1,0,2]=4 308 B6R1.2 CC1CC=CS1 CNP0249135.0 [0,0,0,0,1,0|1,0,2]=4 309 B6R1.2 CC1CCCC1 CNP0194612.0 [0,0,0,0,1,0|0,0,0]=1 310 B6R1.2 CC1CCCO1 CNP0502439.0 [0,0,0,0,1,0|1,0,0]=2 311 B6R1.2 CC1OCCO1 CNP0611683.0 [0,0,0,0,1,0|2,0,0]=3 312 B6R1.2 CC1SCCS1 CNP0002932.0 [0,0,0,0,1,0|2,0,0]=3 313 B6R1.2 CN1CC=CC1 CNP0257888.0 [0,0,0,0,1,0|1,0,2]=4 314 B6R1.2 CN1CCCC1 CNP0395436.0 [0,0,0,0,1,0|1,0,0]=2 315 B6R1.2 C[C@@H]1C=CNC1 CNP0309884.1 [0,0,0,0,1,0|1,0,2]=4 316 B6R1.2 C[C@@H]1CCCN1 CNP0080827.1 [0,0,0,0,1,0|0,0,0]=1 317 B6R1.2 C[C@@H]1CCSC1 CNP0174337.1 [0,0,0,0,1,0|1,0,0]=2 318 B6R1.2 C[C@H]1NCCS1 CNP0150573.1 [0,0,0,0,1,0|1,0,0]=2 319 B6R1.2 C[N+]1=CCCC1 CNP0251573.0 [0,0,0,0,1,0|1,0,1]=3 320 B6R1.2 NN1CCCC1 CNP0577233.0 [0,0,0,0,1,0|2,0,0]=3 321 B6R1.2 O=C1CCCC1 CNP0287963.0 [0,0,0,0,1,0|1,0,1]=3 322 B6R1.2 O=C1CCCN1 CNP0127855.0 [0,0,0,0,1,0|1,0,1]=3 323 B6R1.2 O=C1CCCO1 CNP0315299.0 [0,0,0,0,1,0|2,0,1]=4 324 B6R1.2 O=C1CCCS1 CNP0084584.0 [0,0,0,0,1,0|2,0,1]=4 325 B6R1.2 O=C1CCNN1 CNP0035182.0 [0,0,0,0,1,0|2,0,1]=4 326 B6R1.2 O=C1CCOC1 CNP0051503.0 [0,0,0,0,1,0|2,0,1]=4 327 B6R1.2 O=C1CCON1 CNP0325381.0 [0,0,0,0,1,0|2,0,1]=4 328 B6R1.2 O=C1CCSC1 CNP0003522.0 [0,0,0,0,1,0|2,0,1]=4 329 B6R1.2 O=C1NCCO1 CNP0064744.0 [0,0,0,0,1,0|2,0,1]=4 330 B6R1.2 OC1=NCCC1 CNP0485346.0 [0,0,0,0,1,0|1,0,2]=4 331 B6R1.2 OC1CCCC1 CNP0085994.0 [0,0,0,0,1,0|1,0,0]=2 332 B6R1.2 OC1CSSC1 CNP0317557.0 [0,0,0,0,1,0|3,0,0]=4 333 B6R1.2 O[C@H]1CNOC1 CNP0590444.1 [0,0,0,0,1,0|3,0,0]=4 334 B6R1.2 S=C1NCCN1 CNP0310090.0 [0,0,0,0,1,0|2,0,1]=4 335 B6R1.2 S=C1NCCO1 CNP0275785.0 [0,0,0,0,1,0|2,0,1]=4 336 B6R1.2 SC1CCCC1 CNP0280825.0 [0,0,0,0,1,0|1,0,0]=2 337 B6R1.2 SC1CCCS1 CNP0002503.0 [0,0,0,0,1,0|2,0,0]=3 338 B6R1.2 [O-][N+]1=CCCC1 CNP0558986.0 [0,0,0,0,1,0|2,0,1]=4 339 B8R1.22 CC1CCCCCC1 CNP0214318.0 [0,0,0,0,0,1|1,0,0]=2 340 B8R1.22 NC1=NCCCCC1 CNP0446960.0 [0,0,0,0,0,1|1,0,2]=4 341 B8R1.22 NC1=[NH+]CCCCC1 CNP0594018.0 [0,0,0,0,0,1|1,0,2]=4 342 B8R1.22 O=C1CCCCCC1 CNP0486939.0 [0,0,0,0,0,1|2,0,1]=4 343 B8R1.22 O=C1CCCCCN1 CNP0157959.0 [0,0,0,0,0,1|1,0,1]=3 344 B8R1.22 O=C1CCCCCO1 CNP0358428.0 [0,0,0,0,0,1|2,0,1]=4 345 B8R1.22 O=C1NCCCCN1 CNP0433632.0 [0,0,0,0,0,1|1,0,1]=3 346 B8R1.22 OC1=NCCCCC1 CNP0523769.0 [0,0,0,0,0,1|1,0,2]=4 347 B8R1.22 O[C@@H]1CNCCOC1 CNP0237299.1 [0,0,0,0,0,1|2,0,0]=3 348 B5R0.1 C=C(C)CCC CNP0179329.0 [1,0,1,0,0,0|0,0,2]=4 349 B5R0.1 C=CCC(C)C CNP0293683.0 [1,0,1,0,0,0|0,0,2]=4 350 B5R0.1 CC(C)CC#N CNP0003467.0 [1,0,1,0,0,0|1,0,1]=4 351 B5R0.1 CC(C)CC=O CNP0200023.0 [1,0,1,0,0,0|1,0,1]=4 352 B5R0.1 CC(C)CCN CNP0107663.0 [1,0,1,0,0,0|1,0,0]=3 353 B5R0.1 CC(C)CCO CNP0115711.0 [1,0,1,0,0,0|1,0,0]=3 354 B5R0.1 CC(C)CCS CNP0222694.0 [1,0,1,0,0,0|1,0,0]=3 355 B5R0.1 CC(C)CNO CNP0343206.0 [1,0,1,0,0,0|2,0,0]=4 356 B5R0.1 CC(O)CCS CNP0002409.0 [1,0,1,0,0,0|2,0,0]=4 357 B5R0.1 CC(S)CCS CNP0003105.0 [1,0,1,0,0,0|2,0,0]=4 358 B5R0.1 CC=CC(C)C CNP0513218.0 [1,0,1,0,0,0|0,0,2]=4 359 B5R0.1 CCC=C(C)C CNP0331653.0 [1,0,1,0,0,0|0,0,2]=4 360 B5R0.1 CCCC(=O)C CNP0169448.0 [1,0,1,0,0,0|1,0,1]=4 361 B5R0.1 CCCC(=O)N CNP0115101.0 [1,0,1,0,0,0|1,0,1]=4 362 B5R0.1 CCCC(C)C CNP0319065.0 [1,0,1,0,0,0|0,0,0]=2 363 B5R0.1 CCCC(C)S CNP0029638.0 [1,0,1,0,0,0|1,0,0]=3 364 B5R0.1 CCCC(O)O CNP0076336.0 [1,0,1,0,0,0|2,0,0]=4 365 B5R0.1 CCC[C@@H](C)O CNP0287976.1 [1,0,1,0,0,0|1,0,0]=3 366 B5R0.1 CCC[C@H](C)O CNP0287976.2 [1,0,1,0,0,0|1,0,0]=3 367 B5R0.1 CCNC(=O)C CNP0260078.0 [1,0,1,0,0,0|1,0,1]=4 368 B5R0.1 CCOC(C)C CNP0604172.0 [1,0,1,0,0,0|1,0,0]=3 369 B5R0.1 CCSC(C)C CNP0254931.0 [1,0,1,0,0,0|1,0,0]=3 370 B5R0.1 CCSC(C)S CNP0579398.0 [1,0,1,0,0,0|2,0,0]=4 371 B5R0.1 CN(C)CCCl CNP0328789.0 [1,0,1,0,0,0|2,0,0]=4 372 B5R0.1 CN(C)CCO CNP0230038.0 [1,0,1,0,0,0|2,0,0]=4 373 B5R0.1 CN=CC(C)C CNP0149349.0 [1,0,1,0,0,0|1,0,1]=4 374 B5R0.1 CNCC(C)C CNP0273998.0 [1,0,1,0,0,0|1,0,0]=3 375 B5R0.1 COCC(C)C CNP0528468.0 [1,0,1,0,0,0|1,0,0]=3 376 B5R0.1 CSCC(C)C CNP0405087.0 [1,0,1,0,0,0|1,0,0]=3 377 B5R0.1 CSSC(C)C CNP0267830.0 [1,0,1,0,0,0|2,0,0]=4 378 B5R0.1 C[C@@H](O)CCO CNP0110972.2 [1,0,1,0,0,0|2,0,0]=4 379 B5R0.1 C[C@H](O)CCO CNP0110972.1 [1,0,1,0,0,0|2,0,0]=4 380 B5R0.2 C=CCCCC CNP0264947.0 [1,0,1,0,0,0|0,0,2]=4 381 B5R0.2 CC=CCCC CNP0419577.0 [1,0,1,0,0,0|0,0,2]=4 382 B5R0.2 CCC=NNC CNP0543863.0 [1,0,1,0,0,0|1,0,1]=4 383 B5R0.2 CCCCC#N CNP0357663.0 [1,0,1,0,0,0|0,0,2]=4 384 B5R0.2 CCCCC=O CNP0361186.0 [1,0,1,0,0,0|1,0,1]=4 385 B5R0.2 CCCCCBr CNP0018690.0 [1,0,1,0,0,0|1,0,0]=3 386 B5R0.2 CCCCCC CNP0269021.0 [1,0,1,0,0,0|0,0,0]=2 387 B5R0.2 CCCCCI CNP0017763.0 [1,0,1,0,0,0|1,0,0]=3 388 B5R0.2 CCCCCN CNP0203183.0 [1,0,1,0,0,0|0,0,0]=2 389 B5R0.2 CCCCCO CNP0244882.0 [1,0,1,0,0,0|1,0,0]=3 390 B5R0.2 CCCCCS CNP0260876.0 [1,0,1,0,0,0|1,0,0]=3 391 B5R0.2 CCCCNC CNP0277639.0 [1,0,1,0,0,0|0,0,0]=2 392 B5R0.2 CCCCOC CNP0609033.0 [1,0,1,0,0,0|1,0,0]=3 393 B5R0.2 CCCCSC CNP0562965.0 [1,0,1,0,0,0|1,0,0]=3 394 B5R0.2 CCCC[S+]=O CNP0521772.0 [1,0,1,0,0,0|2,0,0]=4 395 B5R0.2 CCCSCC CNP0316215.0 [1,0,1,0,0,0|1,0,0]=3 396 B5R0.2 CCCSSC CNP0296815.0 [1,0,1,0,0,0|2,0,0]=4 397 B5R0.2 CCNCCN CNP0281269.0 [1,0,1,0,0,0|1,0,0]=3 398 B5R0.2 CCNCCO CNP0396370.0 [1,0,1,0,0,0|1,0,0]=3 399 B5R0.2 CCOCCO CNP0319988.0 [1,0,1,0,0,0|2,0,0]=4 400 B5R0.2 CCSCCN CNP0506731.0 [1,0,1,0,0,0|1,0,0]=3 401 B5R0.2 CCSSCC CNP0416624.0 [1,0,1,0,0,0|2,0,0]=4 402 B5R0.2 CNCCNC CNP0480039.0 [1,0,1,0,0,0|1,0,0]=3 403 B5R0.2 COCCOC CNP0144142.0 [1,0,1,0,0,0|2,0,0]=4 404 B5R0.2 CSCCCN CNP0348726.0 [1,0,1,0,0,0|1,0,0]=3 405 B5R0.2 CSCCCO CNP0359993.0 [1,0,1,0,0,0|2,0,0]=4 406 B5R0.2 NCCCC=O CNP0359033.0 [1,0,1,0,0,0|1,0,1]=4 407 B5R0.2 NCCCCN CNP0116270.0 [1,0,1,0,0,0|1,0,0]=3 408 B5R0.2 NCCCCO CNP0514594.0 [1,0,1,0,0,0|1,0,0]=3 409 B5R0.2 OCCCCBr CNP0083982.0 [1,0,1,0,0,0|2,0,0]=4 410 B5R0.2 OCCCCCl CNP0079807.0 [1,0,1,0,0,0|2,0,0]=4 411 B5R0.2 OCCCCO CNP0080008.0 [1,0,1,0,0,0|2,0,0]=4 412 B5R0.2 [C-]#[N+]CCCC CNP0522879.0 [1,0,1,0,0,0|0,0,2]=4 413 B5R0.3 CC(CO)CO CNP0282467.0 [1,0,1,0,0,0|2,0,0]=4 414 B5R0.3 CC=C(C)CC CNP0247687.0 [1,0,1,0,0,0|0,0,2]=4 415 B5R0.3 CCC(=O)CC CNP0270305.0 [1,0,1,0,0,0|1,0,1]=4 416 B5R0.3 CCC(C)CC CNP0316485.0 [1,0,1,0,0,0|0,0,0]=2 417 B5R0.3 CCC(C)CS CNP0003009.0 [1,0,1,0,0,0|1,0,0]=3 418 B5R0.3 CCC(N)CC CNP0103985.0 [1,0,1,0,0,0|1,0,0]=3 419 B5R0.3 CCC(N)NC CNP0278870.0 [1,0,1,0,0,0|1,0,0]=3 420 B5R0.3 CCC(O)CC CNP0293075.0 [1,0,1,0,0,0|1,0,0]=3 421 B5R0.3 CCC(O)CCl CNP0366953.0 [1,0,1,0,0,0|2,0,0]=4 422 B5R0.3 CCC(O)CO CNP0534149.0 [1,0,1,0,0,0|2,0,0]=4 423 B5R0.3 CCC(S)CS CNP0197461.0 [1,0,1,0,0,0|2,0,0]=4 424 B5R0.3 CCC(S)SC CNP0609154.0 [1,0,1,0,0,0|2,0,0]=4 425 B5R0.3 CC[C@@H](C)C=O CNP0220551.2 [1,0,1,0,0,0|1,0,1]=4 426 B5R0.3 CC[C@@H](C)CO CNP0185673.1 [1,0,1,0,0,0|1,0,0]=3 427 B5R0.3 CC[C@H](C)C#N CNP0343114.1 [1,0,1,0,0,0|1,0,1]=4 428 B5R0.3 CC[C@H](C)C=O CNP0220551.1 [1,0,1,0,0,0|1,0,1]=4 429 B5R0.3 CC[C@H](C)CN CNP0233909.1 [1,0,1,0,0,0|1,0,0]=3 430 B5R0.3 CC[C@H](C)CO CNP0185673.2 [1,0,1,0,0,0|1,0,0]=3 431 B5R0.3 CC[C@H](C)NC CNP0236959.1 [1,0,1,0,0,0|0,0,0]=2 432 B5R0.3 CC[S+](C)CC CNP0038064.0 [1,0,1,0,0,0|1,0,0]=3 433 B5R0.3 CC[S](C)CC CNP0523180.0 [1,0,1,0,0,0|1,0,0]=3 434 B5R0.3 COC(C)CO CNP0485411.0 [1,0,1,0,0,0|2,0,0]=4 435 B5R0.3 COC(C)OC CNP0122626.0 [1,0,1,0,0,0|2,0,0]=4 436 B5R0.3 CSC(C)SC CNP0610569.0 [1,0,1,0,0,0|2,0,0]=4 437 B7R0.2 C=CC(C)CC(C)C CNP0104195.0 [0,1,1,0,0,0|1,0,1]=4 438 B7R0.2 CC(C)C[C@H](C)C=O CNP0563358.1 [0,1,1,0,0,0|2,0,0]=4 439 B7R0.2 CCC(C)CC(=O)C CNP0555982.0 [0,1,1,0,0,0|1,0,1]=4 440 B7R0.2 CC[C@@H](C)OC(=O)C CNP0076550.2 [0,1,1,0,0,0|1,0,1]=4 441 B7R0.2 CC[C@H](C)CC(C)C CNP0229015.1 [0,1,1,0,0,0|1,0,0]=3 442 B7R0.2 CC[C@H](C)NC(=N)S CNP0609369.1 [0,1,1,0,0,0|1,0,1]=4 443 B7R0.2 CC[C@H](C)NC(=S)N CNP0206786.1 [0,1,1,0,0,0|1,0,1]=4 444 B7R0.2 CC[C@H](C)OC(=O)C CNP0076550.1 [0,1,1,0,0,0|1,0,1]=4 445 B7R0.2 CSC(C)SC(C)S CNP0609794.0 [0,1,1,0,0,0|2,0,0]=4 446 B7R0.3 C=CC(C)CCCC CNP0354372.0 [0,1,1,0,0,0|1,0,1]=4 447 B7R0.3 CCC(C)CCCO CNP0251541.0 [0,1,1,0,0,0|1,0,0]=3 448 B7R0.3 CCCC=C(C)CC CNP0263169.0 [0,1,1,0,0,0|1,0,1]=4 449 B7R0.3 CCCCC(C)CO CNP0563062.0 [0,1,1,0,0,0|2,0,0]=4 450 B7R0.3 CCCC[C@@H](C)C=O CNP0315338.1 [0,1,1,0,0,0|2,0,0]=4 451 B7R0.3 CCCC[C@@H](C)CC CNP0161853.2 [0,1,1,0,0,0|1,0,0]=3 452 B7R0.3 CCCC[C@H](C)CC CNP0161853.1 [0,1,1,0,0,0|1,0,0]=3 453 B7R0.3 CCCC[C@H](C)CO CNP0563062.1 [0,1,1,0,0,0|2,0,0]=4 454 B7R0.3 CCCC[C@H](O)CC CNP0102609.1 [0,1,1,0,0,0|2,0,0]=4 455 B7R0.3 CCCSC(S)CC CNP0370062.0 [0,1,1,0,0,0|2,0,0]=4 456 B7R0.3 CCSSC(C)CC CNP0075907.0 [0,1,1,0,0,0|1,0,0]=3 457 B7R0.3 CCSSC(C)SC CNP0003141.0 [0,1,1,0,0,0|2,0,0]=4 458 B7R0.3 CC[C@@H](C)SSSC CNP0173477.1 [0,1,1,0,0,0|2,0,0]=4 459 B7R0.3 CSC(C)CCC#N CNP0577108.0 [0,1,1,0,0,0|1,0,1]=4 460 B7R0.5 C=C(C)C(C)CCC CNP0602061.0 [0,1,1,0,0,0|1,0,0]=3 461 B7R0.5 CCCC(C)C(=O)C CNP0145602.0 [0,1,1,0,0,0|1,0,0]=3 462 B7R0.5 CCC[C@@H](C)C(=O)Cl CNP0181182.1 [0,1,1,0,0,0|2,0,0]=4 463 B7R0.5 CCC[C@@H](C)C(=O)N CNP0263004.1 [0,1,1,0,0,0|2,0,0]=4 464 B7R0.5 CCC[C@@H](C)C(=O)O CNP0218134.2 [0,1,1,0,0,0|2,0,0]=4 465 B7R0.5 CCC[C@@H](O)C(=O)C CNP0171062.1 [0,1,1,0,0,0|2,0,0]=4 466 B7R0.5 CCC[C@H](C)C(=O)Cl CNP0181182.2 [0,1,1,0,0,0|2,0,0]=4 467 B7R0.5 CCC[C@H](C)C(=O)N CNP0263004.2 [0,1,1,0,0,0|2,0,0]=4 468 B7R0.5 CCC[C@H](C)C(=O)O CNP0218134.1 [0,1,1,0,0,0|2,0,0]=4 469 B7R0.5 CCC[C@H](C)C(C)C CNP0153562.1 [0,1,1,0,0,0|1,0,0]=3 470 B7R0.5 CCOC(C)C(=O)C CNP0496996.0 [0,1,1,0,0,0|1,0,1]=4 471 B7R0.5 CCSC(C)C(C)C CNP0213489.0 [0,1,1,0,0,0|1,0,0]=3 472 B7R0.7 CC=CC(C)CCC CNP0084706.0 [0,1,1,0,0,0|1,0,0]=3 473 B7R0.7 CC=CC(O)CCC CNP0324750.0 [0,1,1,0,0,0|2,0,0]=4 474 B7R0.7 CCC=C(C)CCC CNP0345457.0 [0,1,1,0,0,0|1,0,1]=4 475 B7R0.7 CCCC(C)CC=O CNP0405888.0 [0,1,1,0,0,0|1,0,1]=4 476 B7R0.7 CCCC(C)CCC CNP0137963.0 [0,1,1,0,0,0|1,0,0]=3 477 B7R0.7 CCCC(O)CCC CNP0407378.0 [0,1,1,0,0,0|2,0,0]=4 478 B7R0.7 CCC[C@@H](C)CCO CNP0076379.1 [0,1,1,0,0,0|1,0,0]=3 479 B7R0.7 CCC[C@@H](C)SCC CNP0322285.1 [0,1,1,0,0,0|1,0,0]=3 480 B7R0.7 CCC[C@@H](S)CCO CNP0156811.1 [0,1,1,0,0,0|2,0,0]=4 481 B7R0.7 CCC[C@H](C)CCO CNP0076379.2 [0,1,1,0,0,0|1,0,0]=3 482 B7R0.7 CCC[C@H](C)OCC CNP0076637.1 [0,1,1,0,0,0|1,0,0]=3 483 B7R0.7 CCC[C@H](S)CCO CNP0156811.2 [0,1,1,0,0,0|2,0,0]=4 484 B7R0.7 CCOC(C)OCC CNP0177172.0 [0,1,1,0,0,0|1,0,0]=3 485 B7R0.7 CCSC(C)SCC CNP0610536.0 [0,1,1,0,0,0|1,0,0]=3 486 B7R0.7 CCSC(C)SSC CNP0156066.0 [0,1,1,0,0,0|2,0,0]=4 487 B7R0.10 CCC(=O)[C@@H](C)CC CNP0326368.2 [0,1,1,0,0,0|1,0,0]=3 488 B7R0.10 CCC(=O)[C@H](C)CC CNP0326368.1 [0,1,1,0,0,0|1,0,0]=3 489 B7R0.10 CCC(S)C(C)C=O CNP0191585.0 [0,1,1,0,0,0|2,0,0]=4 490 B7R0.10 CCC(S)C(C)CO CNP0361612.0 [0,1,1,0,0,0|2,0,0]=4 491 B7R0.10 CC[C@@H](C)C(=O)OC CNP0253021.1 [0,1,1,0,0,0|2,0,0]=4 492 B7R0.10 CC[C@@H](C)[C@@H](C)CC CNP0380511.1 [0,1,1,0,0,0|1,0,0]=3 493 B7R0.10 CC[C@@H](O)[C@@H](C)CC CNP0328845.1 [0,1,1,0,0,0|1,0,0]=3 494 B7R0.10 CC[C@H](C)C(=O)OC CNP0253021.2 [0,1,1,0,0,0|2,0,0]=4 495 B7R0.10 CC[C@H](C)[C@H](N)CO CNP0145696.1 [0,1,1,0,0,0|2,0,0]=4 496 B7R0.10 CN[C@@H](C)C(=O)OC CNP0066351.2 [0,1,1,0,0,0|1,0,1]=4 497 B7R0.10 CN[C@H](C)C(=O)OC CNP0066351.1 [0,1,1,0,0,0|1,0,1]=4 498 B7R0.11 CCCC(C)(C)CC CNP0190081.0 [0,1,1,0,0,0|1,0,0]=3 499 B7R0.11 CCCC(C)(O)CC CNP0493821.0 [0,1,1,0,0,0|1,0,0]=3 500 B7R0.11 CCOC(C)(C)CC CNP0167701.0 [0,1,1,0,0,0|1,0,0]=3 501 B7R0.11 CCOC(C)(C)OC CNP0608393.0 [0,1,1,0,0,0|2,0,0]=4 502 B7R0.11 CCSC(C)(C)CC CNP0230254.0 [0,1,1,0,0,0|1,0,0]=3 503 B7R0.12 CCC(SC)SSC CNP0321814.0 [0,1,1,0,0,0|2,0,0]=4 504 B7R0.12 CCC=C(CC)CC CNP0530661.0 [0,1,1,0,0,0|1,0,1]=4 505 B7R0.12 CCCC(CC)CC CNP0154770.0 [0,1,1,0,0,0|1,0,0]=3 506 B7R0.12 CCCN(CC)CC CNP0172466.0 [0,1,1,0,0,0|2,0,0]=4 507 B7R0.12 CCSC(CC)CC CNP0199582.0 [0,1,1,0,0,0|1,0,0]=3 508 B7R0.12 COC[C@H](CO)OC CNP0279745.1 [0,1,1,0,0,0|2,0,0]=4 509 B7R0.4 C=CCCCC(C)C CNP0359236.0 [0,1,1,0,0,0|1,0,1]=4 510 B7R0.4 CC(C)CCCCO CNP0497904.0 [0,1,1,0,0,0|1,0,0]=3 511 B7R0.4 CC(O)CCCCO CNP0285438.0 [0,1,1,0,0,0|1,0,0]=3 512 B7R0.4 CC/C=C/C[C@H](C)O CNP0273661.3 [0,1,1,0,0,0|1,0,1]=4 513 B7R0.4 CC/C=C\C[C@@H](C)O CNP0273661.2 [0,1,1,0,0,0|1,0,1]=4 514 B7R0.4 CC/C=C\C[C@H](C)O CNP0273661.1 [0,1,1,0,0,0|1,0,1]=4 515 B7R0.4 CCCCCC(=O)C CNP0240774.0 [0,1,1,0,0,0|1,0,1]=4 516 B7R0.4 CCCCCC(=O)N CNP0077222.0 [0,1,1,0,0,0|1,0,1]=4 517 B7R0.4 CCCCCC(C)C CNP0146536.0 [0,1,1,0,0,0|1,0,0]=3 518 B7R0.4 CCCCC[C@@H](C)N CNP0336832.2 [0,1,1,0,0,0|0,0,0]=2 519 B7R0.4 CCCCC[C@@H](C)O CNP0256316.1 [0,1,1,0,0,0|1,0,0]=3 520 B7R0.4 CCCCC[C@@H](C)S CNP0076785.2 [0,1,1,0,0,0|1,0,0]=3 521 B7R0.4 CCCCC[C@H](C)N CNP0336832.1 [0,1,1,0,0,0|0,0,0]=2 522 B7R0.4 CCCCC[C@H](C)O CNP0256316.2 [0,1,1,0,0,0|1,0,0]=3 523 B7R0.4 CCCCC[C@H](C)S CNP0076785.1 [0,1,1,0,0,0|1,0,0]=3 524 B7R0.4 CCCCNC(=S)N CNP0137764.0 [0,1,1,0,0,0|1,0,1]=4 525 B7R0.4 CCCCOC(=O)C CNP0158571.0 [0,1,1,0,0,0|1,0,1]=4 526 B7R0.4 CCCCS[S@@+](C)[O-] CNP0566357.1 [0,1,1,0,0,0|2,0,0]=4 527 B7R0.4 CCCCS[S@@H+](C)[O-] CNP0518140.1 [0,1,1,0,0,0|2,0,0]=4 528 B7R0.4 CCCNCC(C)C CNP0333564.0 [0,1,1,0,0,0|0,0,0]=2 529 B7R0.4 CCCSCC(C)C CNP0116113.0 [0,1,1,0,0,0|1,0,0]=3 530 B7R0.4 CCCSSC(C)C CNP0309421.0 [0,1,1,0,0,0|1,0,0]=3 531 B7R0.4 CCNCCC(C)C CNP0184897.0 [0,1,1,0,0,0|1,0,0]=3 532 B7R0.4 CCOCC=C(C)C CNP0002719.0 [0,1,1,0,0,0|1,0,1]=4 533 B7R0.4 CCOCCC(=O)C CNP0086134.0 [0,1,1,0,0,0|1,0,1]=4 534 B7R0.4 CCOCCC(C)C CNP0032749.0 [0,1,1,0,0,0|1,0,0]=3 535 B7R0.4 COCCCC(=O)C CNP0580201.0 [0,1,1,0,0,0|1,0,1]=4 536 B7R0.4 NCCCCC(=O)N CNP0001733.0 [0,1,1,0,0,0|1,0,1]=4 537 B7R0.4 [CH2]CCCCC(C)C CNP0488090.0 [0,1,1,0,0,0|1,0,0]=3 538 B7R0.6 CC(=O)CCC(C)C CNP0109911.0 [0,1,1,0,0,0|1,0,1]=4 539 B7R0.6 CC(=O)COC(C)C CNP0500658.0 [0,1,1,0,0,0|1,0,1]=4 540 B7R0.6 CC(=O)NCC(C)C CNP0330824.0 [0,1,1,0,0,0|1,0,1]=4 541 B7R0.6 CC(C)CCC(=O)N CNP0148296.0 [0,1,1,0,0,0|1,0,1]=4 542 B7R0.6 CC(C)CCC(C)C CNP0238949.0 [0,1,1,0,0,0|1,0,0]=3 543 B7R0.6 CC(C)CN[S+](C)[O-] CNP0568389.0 [0,1,1,0,0,0|2,0,0]=4 544 B7R0.6 CC(C)SSC(C)C CNP0325954.0 [0,1,1,0,0,0|2,0,0]=4 545 B7R0.6 CC(O)COC(C)C CNP0503370.0 [0,1,1,0,0,0|1,0,0]=3 546 B7R0.8 CC(C)(C)OCCN CNP0068463.0 [0,1,1,0,0,0|2,0,0]=4 547 B7R0.8 CCCCC(C)(C)C CNP0139885.0 [0,1,1,0,0,0|1,0,0]=3 548 B7R0.8 CCCO[As](=O)(C)C CNP0175825.0 [0,1,1,0,0,0|2,0,0]=4 549 B7R0.8 CCCSC(C)(C)C CNP0177431.0 [0,1,1,0,0,0|1,0,0]=3 550 B7R0.8 COCCC(C)(C)S CNP0210797.0 [0,1,1,0,0,0|2,0,0]=4 551 B7R0.1 C=CCCCCCC CNP0246919.0 [0,1,1,0,0,0|1,0,0]=3 552 B7R0.1 C=CCCCCCO CNP0075956.0 [0,1,1,0,0,0|1,0,1]=4 553 B7R0.1 CC=CCCCCC CNP0199237.0 [0,1,1,0,0,0|1,0,1]=4 554 B7R0.1 CC=CCSCCC CNP0536250.0 [0,1,1,0,0,0|1,0,1]=4 555 B7R0.1 CCC#CCCCC CNP0602501.0 [0,1,1,0,0,0|1,0,0]=3 556 B7R0.1 CCC=CCCCC CNP0084702.0 [0,1,1,0,0,0|1,0,0]=3 557 B7R0.1 CCC=CCCCO CNP0003503.0 [0,1,1,0,0,0|1,0,1]=4 558 B7R0.1 CCCC#CCCC CNP0381743.0 [0,1,1,0,0,0|1,0,1]=4 559 B7R0.1 CCCC=CCCC CNP0541880.0 [0,1,1,0,0,0|1,0,1]=4 560 B7R0.1 CCCC=CCCO CNP0287313.0 [0,1,1,0,0,0|1,0,1]=4 561 B7R0.1 CCCCC=CCO CNP0191159.0 [0,1,1,0,0,0|1,0,1]=4 562 B7R0.1 CCCCCCC#N CNP0186663.0 [0,1,1,0,0,0|0,0,1]=3 563 B7R0.1 CCCCCCC=O CNP0243745.0 [0,1,1,0,0,0|1,0,0]=3 564 B7R0.1 CCCCCCCC CNP0286567.0 [0,1,1,0,0,0|1,0,0]=3 565 B7R0.1 CCCCCCCN CNP0186919.0 [0,1,1,0,0,0|0,0,0]=2 566 B7R0.1 CCCCCCCO CNP0329737.0 [0,1,1,0,0,0|1,0,0]=3 567 B7R0.1 CCCCCCNC CNP0413437.0 [0,1,1,0,0,0|0,0,0]=2 568 B7R0.1 CCCCCN=C=S CNP0391667.0 [0,1,1,0,0,0|1,0,1]=4 569 B7R0.1 CCCCCOC=O CNP0294368.0 [0,1,1,0,0,0|1,0,1]=4 570 B7R0.1 CCCCCOCC CNP0520137.0 [0,1,1,0,0,0|1,0,0]=3 571 B7R0.1 CCCCCON=O CNP0511882.0 [0,1,1,0,0,0|1,0,1]=4 572 B7R0.1 CCCCCSSC CNP0201479.0 [0,1,1,0,0,0|2,0,0]=4 573 B7R0.1 CCCCNCCO CNP0185911.0 [0,1,1,0,0,0|0,0,0]=2 574 B7R0.1 CCCCOCCO CNP0080154.0 [0,1,1,0,0,0|1,0,0]=3 575 B7R0.1 CCCSSCCC CNP0328321.0 [0,1,1,0,0,0|2,0,0]=4 576 B7R0.1 CCCSSSCC CNP0094065.0 [0,1,1,0,0,0|2,0,0]=4 577 B7R0.1 CCNCCCCN CNP0107714.0 [0,1,1,0,0,0|0,0,0]=2 578 B7R0.1 CCNCCNCC CNP0103183.0 [0,1,1,0,0,0|0,0,0]=2 579 B7R0.1 CCSCSSCC CNP0079298.0 [0,1,1,0,0,0|2,0,0]=4 580 B7R0.1 CNCCCCCN CNP0390055.0 [0,1,1,0,0,0|0,0,0]=2 581 B7R0.1 CNCCCCNC CNP0145070.0 [0,1,1,0,0,0|1,0,0]=3 582 B7R0.1 COCCOCCO CNP0610336.0 [0,1,1,0,0,0|2,0,0]=4 583 B7R0.1 CSCCCCC#N CNP0183103.0 [0,1,1,0,0,0|0,0,2]=4 584 B7R0.1 NCCCCCCN CNP0230906.0 [0,1,1,0,0,0|0,0,0]=2 585 B7R0.1 NCCCCCCO CNP0568466.0 [0,1,1,0,0,0|0,0,0]=2 586 B7R0.1 NCCCCCNO CNP0455910.0 [0,1,1,0,0,0|1,0,0]=3 587 B7R0.1 NCCCNCCS CNP0050642.0 [0,1,1,0,0,0|1,0,0]=3 588 B7R0.1 NCCSSCCN CNP0340186.0 [0,1,1,0,0,0|2,0,0]=4 589 B7R0.1 OCCCCCCBr CNP0593386.0 [0,1,1,0,0,0|1,0,0]=3 590 B7R0.1 OCCCCCCO CNP0080019.0 [0,1,1,0,0,0|1,0,0]=3 591 B7R0.1 OCCCCCCS CNP0154751.0 [0,1,1,0,0,0|1,0,0]=3 592 B7R0.1 OCCCSCCO CNP0079791.0 [0,1,1,0,0,0|2,0,0]=4 593 B7R0.1 SCCCCCCS CNP0089642.0 [0,1,1,0,0,0|1,0,0]=3 594 B7R0.1 [CH2-]CCCCCC#[O+] CNP0489135.0 [0,1,1,0,0,0|1,0,1]=4 595 B7R1.1 CCC1=CCCC1 CNP0080677.0 [0,1,0,0,1,0|0,0,2]=4 596 B7R1.1 CCC1CCCC1 CNP0273207.0 [0,1,0,0,1,0|0,0,0]=2 597 B7R1.1 CCC1OCCO1 CNP0566823.0 [0,1,0,0,1,0|2,0,0]=4 598 B7R1.1 COC1OCCO1 CNP0076084.0 [0,1,0,0,1,0|2,0,0]=4 599 B7R1.1 CSC1CSSC1 CNP0357136.0 [0,1,0,0,1,0|2,0,0]=4 600 B7R1.1 NC[C@@H]1CCCN1 CNP0565632.1 [0,1,0,0,1,0|0,0,0]=2 601 B7R1.1 O=CN1CCCC1 CNP0081536.0 [0,1,0,0,1,0|1,0,1]=4 602 B7R1.1 O=NN1CCCC1 CNP0169288.0 [0,1,0,0,1,0|2,0,0]=4 603 B7R1.1 OC[C@@H]1CCCN1 CNP0083051.2 [0,1,0,0,1,0|0,0,0]=2 604 B7R1.1 OC[C@@H]1CCCO1 CNP0262830.1 [0,1,0,0,1,0|1,0,0]=3 605 B7R1.1 OC[C@H]1CCCN1 CNP0083051.1 [0,1,0,0,1,0|0,0,0]=2 606 B7R1.1 OC[C@H]1CCCO1 CNP0262830.2 [0,1,0,0,1,0|1,0,0]=3 607 B7R1.2 CC1=NC(CN1)C CNP0564639.0 [0,1,0,0,1,0|1,0,1]=4 608 B7R1.2 CC1=NC[C@@H](N1)C CNP0268657.1 [0,1,0,0,1,0|1,0,1]=4 609 B7R1.2 CC1C=C(CC1)O CNP0082123.0 [0,1,0,0,1,0|0,0,2]=4 610 B7R1.2 CC1CCC(=O)C1 CNP0601005.0 [0,1,0,0,1,0|0,0,1]=3 611 B7R1.2 CC1CCC(=O)S1 CNP0014457.0 [0,1,0,0,1,0|1,0,1]=4 612 B7R1.2 CC1CCC(C1)O CNP0608388.0 [0,1,0,0,1,0|0,0,0]=2 613 B7R1.2 CC1CCC(S1)C CNP0003500.0 [0,1,0,0,1,0|1,0,0]=3 614 B7R1.2 CC1CNC(=O)C1 CNP0609130.0 [0,1,0,0,1,0|1,0,1]=4 615 B7R1.2 C[C@@H]1CCC(=O)O1 CNP0123835.1 [0,1,0,0,1,0|1,0,1]=4 616 B7R1.2 C[C@@H]1CC[C@@H](C1)C CNP0177457.1 [0,1,0,0,1,0|0,0,0]=2 617 B7R1.2 C[C@@H]1CC[C@@H](O1)C CNP0230648.1 [0,1,0,0,1,0|1,0,0]=3 618 B7R1.2 C[C@@H]1COC(=O)C1 CNP0323281.1 [0,1,0,0,1,0|1,0,1]=4 619 B7R1.2 C[C@H]1CCC(=O)O1 CNP0123835.2 [0,1,0,0,1,0|1,0,1]=4 620 B7R1.2 C[C@H]1COC(=O)C1 CNP0323281.2 [0,1,0,0,1,0|1,0,1]=4 621 B7R1.2 C[C@H]1COC(=S)N1 CNP0279656.1 [0,1,0,0,1,0|1,0,1]=4 622 B7R1.2 O=C1CC[C@@H](N1)O CNP0286097.2 [0,1,0,0,1,0|1,0,1]=4 623 B7R1.2 O=C1CC[C@H](N1)O CNP0286097.1 [0,1,0,0,1,0|1,0,1]=4 624 B7R1.2 O=C1C[C@@H](CN1)O CNP0188830.1 [0,1,0,0,1,0|1,0,1]=4 625 B7R1.2 O=C1C[C@H](CN1)O CNP0188830.2 [0,1,0,0,1,0|1,0,1]=4 626 B7R1.4 CC1=C(CCC1)C CNP0231911.0 [0,1,0,0,1,0|0,0,2]=4 627 B7R1.4 CC1COCC1=O CNP0611227.0 [0,1,0,0,1,0|1,0,1]=4 628 B7R1.4 CC1OCCC1O CNP0002607.0 [0,1,0,0,1,0|1,0,0]=3 629 B7R1.4 CC1OCCC1S CNP0002942.0 [0,1,0,0,1,0|1,0,0]=3 630 B7R1.4 CC1SCCC1=O CNP0395315.0 [0,1,0,0,1,0|1,0,1]=4 631 B7R1.4 CC1SCCC1O CNP0179885.0 [0,1,0,0,1,0|1,0,0]=3 632 B7R1.4 CC1SCCC1S CNP0002610.0 [0,1,0,0,1,0|1,0,0]=3 633 B7R1.4 CN1CCCC1=O CNP0203476.0 [0,1,0,0,1,0|1,0,1]=4 634 B7R1.4 C[C@@H]1CCCC1=O CNP0165073.2 [0,1,0,0,1,0|0,0,1]=3 635 B7R1.4 C[C@@H]1CCC[C@@H]1C CNP0306021.2 [0,1,0,0,1,0|0,0,0]=2 636 B7R1.4 C[C@@H]1CCC[C@H]1C CNP0306021.3 [0,1,0,0,1,0|0,0,0]=2 637 B7R1.4 C[C@@H]1CCC[C@H]1O CNP0569064.1 [0,1,0,0,1,0|0,0,0]=2 638 B7R1.4 C[C@@H]1CCOC1=O CNP0290908.1 [0,1,0,0,1,0|1,0,1]=4 639 B7R1.4 C[C@@H]1CSS[C@H]1C CNP0278388.1 [0,1,0,0,1,0|2,0,0]=4 640 B7R1.4 C[C@@H]1OCCC1=O CNP0116291.1 [0,1,0,0,1,0|1,0,1]=4 641 B7R1.4 C[C@H]1CCCC1=O CNP0165073.1 [0,1,0,0,1,0|0,0,1]=3 642 B7R1.4 C[C@H]1CCC[C@@H]1C CNP0306021.1 [0,1,0,0,1,0|0,0,0]=2 643 B7R1.4 C[C@H]1CCOC1=O CNP0290908.2 [0,1,0,0,1,0|1,0,1]=4 644 B7R1.4 C[C@H]1OCCC1=O CNP0116291.2 [0,1,0,0,1,0|1,0,1]=4 645 B7R1.4 N[C@@H]1CSC[C@@H]1O CNP0364292.4 [0,1,0,0,1,0|2,0,0]=4 646 B7R1.4 N[C@@H]1CSC[C@H]1O CNP0364292.3 [0,1,0,0,1,0|2,0,0]=4 647 B7R1.4 O=C1NCC[C@H]1O CNP0289134.1 [0,1,0,0,1,0|1,0,1]=4 648 B7R1.4 OC1CCCC1O CNP0519159.0 [0,1,0,0,1,0|1,0,0]=3 649 B7R1.4 O[C@@H]1COC[C@@H]1O CNP0326371.1 [0,1,0,0,1,0|2,0,0]=4 650 B7R1.4 O[C@@H]1COC[C@H]1O CNP0326371.2 [0,1,0,0,1,0|2,0,0]=4 651 B7R1.4 O[C@H]1COC[C@@H]1O CNP0326371.3 [0,1,0,0,1,0|2,0,0]=4 652 B7R1.4 SC1CCCC1S CNP0098071.0 [0,1,0,0,1,0|1,0,0]=3 653 B7R1.14 CC1(CCCC1)C CNP0125073.0 [0,1,0,0,1,0|0,0,0]=2 654 B7R1.14 CC1(CCCC1)O CNP0579828.0 [0,1,0,0,1,0|0,0,0]=2 655 B7R1.14 CC1(CCCS1)S CNP0002611.0 [0,1,0,0,1,0|1,0,0]=3 656 B7R1.14 CC1(CCSS1)C CNP0245767.0 [0,1,0,0,1,0|2,0,0]=4 657 B7R1.14 O=S1(=O)CCCC1 CNP0278305.0 [0,1,0,0,1,0|2,0,0]=4 658 B9R1.5 CC1CCCCCC1=O CNP0489162.0 [0,1,0,0,0,1|1,0,0]=3 659 B9R1.5 C[C@H]1CCCCOC1=O CNP0187217.1 [0,1,0,0,0,1|1,0,0]=3 660 B9R1.5 N[C@H]1CCCCNC1=O CNP0290610.1 [0,1,0,0,0,1|1,0,0]=3 661 B9R1.48 CC1CCCCC(=O)C1 CNP0513414.0 [0,1,0,0,0,1|1,0,0]=3 662 B9R1.48 C[C@H]1CCCCC(=O)O1 CNP0109717.1 [0,1,0,0,0,1|1,0,0]=3 663 B9R1.49 C=C1CCCC(CC1)C CNP0586791.0 [0,1,0,0,0,1|1,0,0]=3 664 B9R1.148 CC1(CCCCCC1)O CNP0595918.0 [0,1,0,0,0,1|1,0,0]=3 665 B9R1.1 CC1=CC[C@@H](CC1)C=O CNP0198350.1 [0,2,0,0,0,0|1,0,1]=4 666 B9R1.1 CCC1CCC(=O)CC1 CNP0599298.0 [0,2,0,0,0,0|1,0,1]=4 667 B9R1.1 CC[C@H]1CC=C(CC1)C CNP0192246.1 [0,2,0,0,0,0|1,0,1]=4 668 B9R1.1 CC[C@H]1CC[C@@H](CC1)C CNP0336780.1 [0,2,0,0,0,0|1,0,0]=3 669 B9R1.1 CC[C@H]1CC[C@@H](CC1)O CNP0167936.1 [0,2,0,0,0,0|1,0,0]=3 670 B9R1.1 CC[C@H]1CC[C@H](CC1)O CNP0167936.2 [0,2,0,0,0,0|1,0,0]=3 671 B9R1.1 COC1CCC(=O)CC1 CNP0217757.0 [0,2,0,0,0,0|1,0,1]=4 672 B9R1.1 OC[C@@H]1CC[C@H](CN1)O CNP0271458.1 [0,2,0,0,0,0|0,0,0]=2 673 B9R1.2 CC[C@@H]1CCC[C@@H](C1)C CNP0296187.1 [0,2,0,0,0,0|1,0,0]=3 674 B9R1.2 CC[C@H]1CCCC(=O)O1 CNP0210303.1 [0,2,0,0,0,0|1,0,1]=4 675 B9R1.2 COC1CN(CCO1)C CNP0462036.0 [0,2,0,0,0,0|2,0,0]=4 676 B9R1.2 CO[C@@H]1CCC[C@@H](O1)C CNP0008964.3 [0,2,0,0,0,0|1,0,0]=3 677 B9R1.2 CO[C@@H]1CCC[C@H](O1)C CNP0008964.4 [0,2,0,0,0,0|1,0,0]=3 678 B9R1.2 CO[C@H]1CCCC(=O)N1 CNP0146387.1 [0,2,0,0,0,0|0,0,1]=3 679 B9R1.2 CO[C@H]1CCC[C@@H](O1)C CNP0008964.1 [0,2,0,0,0,0|1,0,0]=3 680 B9R1.2 CO[C@H]1CCC[C@H](O1)C CNP0008964.2 [0,2,0,0,0,0|1,0,0]=3 681 B9R1.6 CC(=C1CCCCC1)C CNP0493746.0 [0,2,0,0,0,0|1,0,1]=4 682 B9R1.6 CC(=O)C1=CCCCC1 CNP0565095.0 [0,2,0,0,0,0|1,0,1]=4 683 B9R1.6 CC(=O)C1=CCCCN1 CNP0423535.0 [0,2,0,0,0,0|0,0,2]=4 684 B9R1.6 CC(=O)C1=NCCCC1 CNP0342346.0 [0,2,0,0,0,0|0,0,2]=4 685 B9R1.6 CC(=O)C1CCCCC1 CNP0575614.0 [0,2,0,0,0,0|1,0,0]=3 686 B9R1.6 CC(=O)N1CCCCC1 CNP0165296.0 [0,2,0,0,0,0|2,0,0]=4 687 B9R1.6 CC(C)C1CCCCC1 CNP0137845.0 [0,2,0,0,0,0|1,0,0]=3 688 B9R1.6 CC(C)N1CCCCC1 CNP0270932.0 [0,2,0,0,0,0|2,0,0]=4 689 B9R1.6 ClP(Cl)C1CCCCC1 CNP0588827.0 [0,2,0,0,0,0|2,0,0]=4 690 B9R1.6 NC(=O)C1CCCCC1 CNP0252967.0 [0,2,0,0,0,0|1,0,1]=4 691 B9R1.6 NC(=O)[C@@H]1CCCCN1 CNP0291303.1 [0,2,0,0,0,0|0,0,1]=3 692 B9R1.6 NC(=O)[C@@H]1CNCCN1 CNP0439932.1 [0,2,0,0,0,0|1,0,1]=4 693 B9R1.6 NC(=O)[C@H]1CNCCN1 CNP0439932.2 [0,2,0,0,0,0|1,0,1]=4 694 B9R1.6 O=C(Cl)C1CCCCC1 CNP0262938.0 [0,2,0,0,0,0|1,0,1]=4 695 B9R1.6 O=C(O)C1CCCCC1 CNP0244214.0 [0,2,0,0,0,0|1,0,1]=4 696 B9R1.6 O=C(O)[C@@H]1CCCCN1 CNP0148927.2 [0,2,0,0,0,0|0,0,1]=3 697 B9R1.6 O=C(O)[C@@H]1CCCNN1 CNP0122625.2 [0,2,0,0,0,0|1,0,1]=4 698 B9R1.6 O=C(O)[C@@H]1CSCCN1 CNP0414195.1 [0,2,0,0,0,0|1,0,1]=4 699 B9R1.6 O=C(O)[C@H]1CCCCN1 CNP0148927.1 [0,2,0,0,0,0|0,0,1]=3 700 B9R1.6 O=C(O)[C@H]1CCCNN1 CNP0122625.1 [0,2,0,0,0,0|1,0,1]=4 701 B9R1.6 O=[14C](O)[C@H]1CCCCN1 CNP0148927.3 [0,2,0,0,0,0|0,0,1]=3 702 B9R1.8 C=CCC1=NCCCC1 CNP0003401.0 [0,2,0,0,0,0|0,0,2]=4 703 B9R1.8 C=CCC1CCCCC1 CNP0156672.0 [0,2,0,0,0,0|1,0,0]=3 704 B9R1.8 C=CCN1CCCCC1 CNP0188708.0 [0,2,0,0,0,0|2,0,0]=4 705 B9R1.8 CC#CC1=CCCCC1 CNP0572321.0 [0,2,0,0,0,0|1,0,1]=4 706 B9R1.8 CC=CC1=NCCCC1 CNP0209420.0 [0,2,0,0,0,0|0,0,2]=4 707 B9R1.8 CCCC1=CCCCC1 CNP0080648.0 [0,2,0,0,0,0|1,0,1]=4 708 B9R1.8 CCCC1=NCCCC1 CNP0295908.0 [0,2,0,0,0,0|0,0,2]=4 709 B9R1.8 CCCC1CCCCC1 CNP0158548.0 [0,2,0,0,0,0|1,0,0]=3 710 B9R1.8 CCCN1CCCCC1 CNP0186645.0 [0,2,0,0,0,0|2,0,0]=4 711 B9R1.8 CCC[C@@H]1CCCCN1 CNP0295617.2 [0,2,0,0,0,0|0,0,0]=2 712 B9R1.8 CCC[C@H]1CCCCN1 CNP0295617.1 [0,2,0,0,0,0|0,0,0]=2 713 B9R1.8 NCCC1CCCCC1 CNP0424532.0 [0,2,0,0,0,0|1,0,0]=3 714 B9R1.8 NCCC1CCCCN1 CNP0503669.0 [0,2,0,0,0,0|0,0,0]=2 715 B9R1.8 O=CNC1CCCCC1 CNP0083588.0 [0,2,0,0,0,0|1,0,1]=4 716 B9R1.8 O=COC1CCCCC1 CNP0229569.0 [0,2,0,0,0,0|1,0,1]=4 717 B9R1.8 OCCC1C=CCCC1 CNP0071903.0 [0,2,0,0,0,0|1,0,1]=4 718 B9R1.8 OCCN1CCCCC1 CNP0303387.0 [0,2,0,0,0,0|2,0,0]=4 719 B9R1.8 OCC[C@@H]1CCCCN1 CNP0378251.2 [0,2,0,0,0,0|0,0,0]=2 720 B9R1.8 OCC[C@H]1CCCCN1 CNP0378251.1 [0,2,0,0,0,0|0,0,0]=2 721 B9R1.8 S=C=NC1CCCCC1 CNP0109516.0 [0,2,0,0,0,0|1,0,1]=4 722 B9R1.15 CC[C@@H]1CCCCC1=O CNP0225469.1 [0,2,0,0,0,0|1,0,0]=3 723 B9R1.15 CC[C@H]1CCCC[C@H]1C CNP0240068.1 [0,2,0,0,0,0|1,0,0]=3 724 B9R1.15 CO[C@@H]1CCCCC1=O CNP0076472.1 [0,2,0,0,0,0|1,0,0]=3 725 B9R1.15 CO[C@H]1CCCCC1=O CNP0076472.2 [0,2,0,0,0,0|1,0,0]=3 726 B9R1.15 O=C1COCCC1CO CNP0612158.0 [0,2,0,0,0,0|2,0,0]=4 727 B9R1.15 O=C1NCCC[C@H]1NO CNP0181841.1 [0,2,0,0,0,0|1,0,1]=4 728 B9R1.118 CCC1(CCCCC1)C CNP0085951.0 [0,2,0,0,0,0|1,0,0]=3 729 B9R1.10 CC1(C=CC(CC1)O)C CNP0533712.0 [0,2,0,0,0,0|1,0,1]=4 730 B9R1.10 CC1=CCC(CC1)(C)C CNP0293216.0 [0,2,0,0,0,0|1,0,1]=4 731 B9R1.10 C[C@@]1(CC[C@H](CC1)O)O CNP0296660.1 [0,2,0,0,0,0|1,0,0]=3 732 B9R1.69 CC1CCC(CC1C)O CNP0084708.0 [0,2,0,0,0,0|1,0,0]=3 733 B9R1.69 CC1OC(C(CS1)C)C CNP0552382.0 [0,2,0,0,0,0|2,0,0]=4 734 B9R1.69 C[C@@H]1CCC(=O)O[C@H]1C CNP0250448.1 [0,2,0,0,0,0|1,0,1]=4 735 B9R1.69 C[C@@H]1CC[C@@H](C(=O)O1)C CNP0186029.3 [0,2,0,0,0,0|1,0,1]=4 736 B9R1.69 C[C@@H]1CC[C@@H](OC1=O)C CNP0186029.1 [0,2,0,0,0,0|1,0,1]=4 737 B9R1.69 C[C@@H]1CC[C@H](C(=O)O1)C CNP0186029.2 [0,2,0,0,0,0|1,0,1]=4 738 B9R1.69 C[C@@H]1CC[C@H]([C@@H](C1)C)C CNP0283819.1 [0,2,0,0,0,0|1,0,0]=3 739 B9R1.69 C[C@@H]1C[C@@H]([C@H](CO1)O)O CNP0205003.3 [0,2,0,0,0,0|1,0,0]=3 740 B9R1.69 C[C@@H]1C[C@H]([C@@H](CO1)O)O CNP0205003.2 [0,2,0,0,0,0|1,0,0]=3 741 B9R1.69 C[C@@H]1C[C@H]([C@H](CO1)O)O CNP0205003.1 [0,2,0,0,0,0|1,0,0]=3 742 B9R1.69 C[C@@H]1OC(=O)CC[C@@H]1C CNP0250448.2 [0,2,0,0,0,0|1,0,1]=4 743 B9R1.69 C[C@@H]1O[C@H](CC[C@@H]1O)O CNP0422647.2 [0,2,0,0,0,0|1,0,0]=3 744 B9R1.69 C[C@@H]1O[C@H](CC[C@H]1O)O CNP0422647.1 [0,2,0,0,0,0|1,0,0]=3 745 B9R1.69 C[C@H]1O[C@@H](CCC1=O)O CNP0334218.1 [0,2,0,0,0,0|1,0,1]=4 746 B9R1.69 C[C@H]1O[C@H](CC[C@@H]1O)O CNP0422647.3 [0,2,0,0,0,0|1,0,0]=3 747 B9R1.69 O[C@@H]1CO[C@H](C[C@H]1O)O CNP0239682.3 [0,2,0,0,0,0|2,0,0]=4 748 B9R1.69 O[C@@H]1C[C@@H]([C@@H](CO1)O)O CNP0239682.1 [0,2,0,0,0,0|2,0,0]=4 749 B9R1.69 O[C@@H]1C[C@H]([C@@H](CO1)O)O CNP0239682.2 [0,2,0,0,0,0|2,0,0]=4 750 B9R1.3 CC1C(=O)CCCC1=O CNP0609104.0 [0,2,0,0,0,0|1,0,1]=4 751 B9R1.3 CC1CCCC(C1=O)C CNP0612142.0 [0,2,0,0,0,0|1,0,0]=3 752 B9R1.3 CC1CCCC(C1C)O CNP0521321.0 [0,2,0,0,0,0|1,0,0]=3 753 B9R1.3 CC1[C@@H](CCC[C@H]1C)C CNP0315073.2 [0,2,0,0,0,0|1,0,0]=3 754 B9R1.3 C[C@@H]1CCC[C@@H]([C@H]1O)C CNP0252698.1 [0,2,0,0,0,0|1,0,0]=3 755 B9R1.3 C[C@@H]1CCC[C@H](N1C)C CNP0376276.1 [0,2,0,0,0,0|0,0,0]=2 756 B9R1.3 C[C@H]1CCCC(=O)C1=O CNP0208707.1 [0,2,0,0,0,0|1,0,1]=4 757 B9R1.3 C[C@H]1NCC[C@H]([C@@H]1O)O CNP0174732.1 [0,2,0,0,0,0|0,0,0]=2 758 B9R1.3 C[C@H]1[C@@H](CCC[C@@H]1C)C CNP0315073.1 [0,2,0,0,0,0|1,0,0]=3 759 B9R1.3 O=C1NCC[C@@H]([C@@H]1Cl)O CNP0556775.3 [0,2,0,0,0,0|1,0,1]=4 760 B9R1.3 O=C1NCC[C@@H]([C@H]1Cl)O CNP0556775.4 [0,2,0,0,0,0|1,0,1]=4 761 B9R1.3 O=C1NCC[C@@H]([C@H]1O)O CNP0519609.1 [0,2,0,0,0,0|1,0,1]=4 762 B9R1.3 O=C1NCC[C@H]([C@@H]1Cl)O CNP0556775.2 [0,2,0,0,0,0|1,0,1]=4 763 B9R1.3 O=C1NCC[C@H]([C@H]1Cl)O CNP0556775.1 [0,2,0,0,0,0|1,0,1]=4 764 B9R1.3 PC1CCCC(C1P)P CNP0345633.0 [0,2,0,0,0,0|2,0,0]=4 765 B9R1.34 CC1CC(CC(C1)O)C CNP0084709.0 [0,2,0,0,0,0|1,0,0]=3 766 B9R1.34 CC1CC(OC(=S)N1)C CNP0132039.0 [0,2,0,0,0,0|1,0,1]=4 767 B9R1.34 C[C@@H]1C[C@H](CC(=O)O1)O CNP0232226.2 [0,2,0,0,0,0|1,0,1]=4 768 B9R1.34 C[C@@H]1S[C@@H](N[C@@H](S1)C)C CNP0249742.1 [0,2,0,0,0,0|2,0,0]=4 769 B9R1.34 C[C@H]1C[C@@H](CC(=O)O1)O CNP0232226.1 [0,2,0,0,0,0|1,0,1]=4 770 B9R1.34 C[C@H]1C[C@@H](C[C@H](C1)C)C CNP0111309.1 [0,2,0,0,0,0|1,0,0]=3 771 B9R1.34 C[C@H]1C[C@H](C[C@H](C1)C)C CNP0566092.0 [0,2,0,0,0,0|1,0,0]=3 772 B9R1.66 CC1(C=C(CCC1)O)C CNP0082060.0 [0,2,0,0,0,0|1,0,1]=4 773 B9R1.66 C[C@H]1CC=CC(C1)(C)C CNP0096572.1 [0,2,0,0,0,0|1,0,1]=4 774 B9R1.66 C[C@H]1CCCC(C1)(C)C CNP0230826.1 [0,2,0,0,0,0|1,0,0]=3 775 B9R1.40 CC1(OCOC[C@H]1O)C CNP0328509.1 [0,2,0,0,0,0|2,0,0]=4 776 B9R1.40 C[C@H]1CCCCC1(C)C CNP0292350.1 [0,2,0,0,0,0|1,0,0]=3 777 B9R1.40 C[C@]1(CCCC[C@@H]1O)Cl CNP0062088.1 [0,2,0,0,0,0|1,0,0]=3 778 B9R1.40 C[C@]1(CCCC[C@@H]1O)O CNP0051612.1 [0,2,0,0,0,0|1,0,0]=3 779 B7R1.5 CCC[C@@H]1O[C@@H]1C CNP0083069.1 [0,0,1,1,0,0|2,0,0]=4 780 B7R1.6 CCC[C@@H]1CCS1 CNP0328925.1 [0,0,1,1,0,0|1,0,0]=3 781 B7R1.8 CCC1CCC1O CNP0521190.0 [0,0,1,1,0,0|2,0,0]=4 782 B7R1.25 CCC1(CCC1)O CNP0591933.0 [0,0,1,1,0,0|2,0,0]=4 783 B7R1.7 CCCCC1CO1 CNP0608682.0 [0,0,1,1,0,0|1,0,0]=3 784 B7R1.23 CCC1OC1(C)C CNP0495056.0 [0,0,1,1,0,0|1,0,0]=3 785 B7R1.24 C1CCCCCC1 CNP0223227.0 [0,0,1,1,0,0|1,0,0]=3 786 B7R2.13 C1CC2CC2C1 CNP0612213.0 [1,0,0,1,0,0|1,0,0]=3 787 B9R2.7 O=C1C[C@@H]2N1CCO2 CNP0343066.1 [0,0,0,1,0,1|1,0,1]=4 788 B9R2.7 O=C1C[C@@H]2N1CCS2 CNP0364303.1 [0,0,0,1,0,1|1,0,1]=4 789 B9R2.109 O=C1NCCC2C1C2 CNP0426975.0 [0,0,0,1,0,1|1,0,1]=4 790 B9R2.109 O=C1NCC[C@H]2[C@@H]1O2 CNP0461843.1 [0,0,0,1,0,1|1,0,1]=4 791 B9R2.24 OC1C2C=CC1CC2 CNP0612200.0 [0,1,0,1,0,0|1,0,1]=4 792 B9R2.49 C1=CC2CCC1CC2 CNP0168880.0 [0,1,0,1,0,0|1,0,1]=4 793 B9R2.49 C1CC2CCC1CO2 CNP0513490.0 [0,1,0,1,0,0|1,0,0]=3 794 B9R2.49 C1CN2CCC1CC2 CNP0466639.0 [0,1,0,1,0,0|2,0,0]=4 795 B9R2.49 C1C[C@H]2CC[C@@H]1N=N2 CNP0063584.1 [0,1,0,1,0,0|1,0,1]=4 796 B9R2.19 C=C1CC[C@H]2C[C@@H]1C2 CNP0276296.1 [0,1,0,1,0,0|1,0,0]=3 797 B9R2.19 CC1=CC[C@H]2C[C@@H]1C2 CNP0261167.1 [0,1,0,1,0,0|1,0,1]=4 798 B9R2.19 O=C1CCC2CC1C2 CNP0336900.0 [0,1,0,1,0,0|1,0,0]=3 799 B9R2.19 OC1C=CC2CC1C2 CNP0085871.0 [0,1,0,1,0,0|1,0,1]=4 800 B9R2.110 OC12CCC(C1)CC2 CNP0551977.0 [0,1,0,1,0,0|1,0,0]=3 801 B9R2.39 O=C1C[C@H]2CC[C@@H]1C2 CNP0573835.1 [0,1,0,1,0,0|1,0,0]=3 802 B9R2.39 OC1CC2C=CC1C2 CNP0506410.0 [0,1,0,1,0,0|1,0,1]=4 803 B9R3.1 C1C2CC3C1C3C2 CNP0085770.0 [0,0,0,2,0,0|1,0,0]=3 804 B5R1.1 C1=CCCC1 CNP0534738.0 [1,0,0,0,1,0|0,0,2]=4 805 B5R1.1 C1=CNCC1 CNP0527065.0 [1,0,0,0,1,0|0,0,2]=4 806 B5R1.1 C1=NCCC1 CNP0581055.0 [1,0,0,0,1,0|0,0,2]=4 807 B5R1.1 C1=PCCC1 CNP0609027.0 [1,0,0,0,1,0|0,1,1]=4 808 B5R1.1 C1CCCC1 CNP0566364.0 [1,0,0,0,1,0|0,0,0]=2 809 B5R1.1 C1CCNC1 CNP0572990.0 [1,0,0,0,1,0|0,0,0]=2 810 B5R1.1 C1CCOC1 CNP0507941.0 [1,0,0,0,1,0|1,0,0]=3 811 B5R1.1 C1CCPC1 CNP0598418.0 [1,0,0,0,1,0|0,1,0]=3 812 B5R1.1 C1CCSC1 CNP0569262.0 [1,0,0,0,1,0|1,0,0]=3 813 B5R1.1 C1COCO1 CNP0568859.0 [1,0,0,0,1,0|2,0,0]=4 814 B5R1.1 C1CSCN1 CNP0561874.0 [1,0,0,0,1,0|1,0,0]=3 815 B5R1.1 C1CSSC1 CNP0501166.0 [1,0,0,0,1,0|2,0,0]=4 816 B5R1.2 CC1CCC1 CNP0546383.0 [0,0,0,0,2,0|0,0,0]=2 817 B5R1.2 NC1CCC1 CNP0609061.0 [0,0,0,0,2,0|1,0,0]=3 818 B5R1.2 OC1CCC1 CNP0562500.0 [0,0,0,0,2,0|1,0,0]=3 819 B5R1.2 [O-][S+]1CCC1 CNP0520919.0 [0,0,0,0,2,0|2,0,0]=4 820 B9R1.50 CC1CCCCCCC1 CNP0421481.0 [0,0,0,0,0,2|1,0,0]=3