0 B8R1.1 C=C[C@@H]1CN=C(O1)S CNP0575613.1 [0,0,0,0,0,0|1,1,2]=4 1 B8R1.1 C=C[C@@H]1CNC(=S)O1 CNP0252373.1 [0,0,0,0,0,0|1,1,2]=4 2 B8R1.1 C=C[C@H]1CN=C(O1)S CNP0575613.2 [0,0,0,0,0,0|1,1,2]=4 3 B8R1.1 C=C[C@H]1CNC(=S)O1 CNP0252373.2 [0,0,0,0,0,0|1,1,2]=4 4 B8R1.1 CC1CCC(O1)CO CNP0511633.0 [0,0,0,0,0,0|2,0,1]=3 5 B8R1.1 CC=C1C=C(CC1)C CNP0076579.0 [0,0,0,0,0,0|2,0,2]=4 6 B8R1.1 CC=C1C=CC(=O)O1 CNP0289286.0 [0,0,0,0,0,0|0,0,4]=4 7 B8R1.1 CCC1=CC(=O)CC1 CNP0307278.0 [0,0,0,0,0,0|1,0,1]=2 8 B8R1.1 CCC1=CC=C(O1)C CNP0251701.0 [0,0,0,0,0,0|1,0,3]=4 9 B8R1.1 CCC1=CCC(=O)O1 CNP0001516.0 [0,0,0,0,0,0|0,0,2]=2 10 B8R1.1 CCC1=CN=C(O1)C CNP0152176.0 [0,0,0,0,0,0|2,0,2]=4 11 B8R1.1 CCC1=NC=C(O1)C CNP0010332.0 [0,0,0,0,0,0|2,0,2]=4 12 B8R1.1 CCC1CCC(O1)C CNP0586635.0 [0,0,0,0,0,0|1,0,1]=2 13 B8R1.1 CCC1SCC(S1)C CNP0611981.0 [0,0,0,0,0,0|2,1,1]=4 14 B8R1.1 CC[C@@H]1C=CC(=O)O1 CNP0332158.1 [0,0,0,0,0,0|0,0,2]=2 15 B8R1.1 CC[C@@H]1CCC(=O)O1 CNP0276218.2 [0,0,0,0,0,0|0,0,0]=0 16 B8R1.1 CC[C@@H]1CC[C@@H](C1)C CNP0136815.1 [0,0,0,0,0,0|2,0,1]=3 17 B8R1.1 CC[C@@H]1CC[C@H](C1)C CNP0136815.2 [0,0,0,0,0,0|2,0,1]=3 18 B8R1.1 CC[C@@H]1COC(=S)N1 CNP0247188.2 [0,0,0,0,0,0|2,1,0]=3 19 B8R1.1 CC[C@H]1CCC(=O)O1 CNP0276218.1 [0,0,0,0,0,0|0,0,0]=0 20 B8R1.1 CC[C@H]1COC(=O)C1 CNP0207946.1 [0,0,0,0,0,0|2,0,0]=2 21 B8R1.1 CC[C@H]1COC(=S)N1 CNP0247188.1 [0,0,0,0,0,0|2,1,0]=3 22 B8R1.1 COC1=CC(=O)NC1 CNP0315098.0 [0,0,0,0,0,0|3,0,1]=4 23 B8R1.1 COC1=CC(=O)OC1 CNP0407437.0 [0,0,0,0,0,0|3,0,1]=4 24 B8R1.1 COC1C=CC(=O)C1 CNP0529998.0 [0,0,0,0,0,0|2,0,2]=4 25 B8R1.1 CO[C@@H]1CCC(=N1)O CNP0574433.1 [0,0,0,0,0,0|2,0,1]=3 26 B8R1.1 CO[C@@H]1CCC(=O)N1 CNP0302885.1 [0,0,0,0,0,0|2,0,0]=2 27 B8R1.1 CO[C@@H]1COC(=O)C1 CNP0018508.1 [0,0,0,0,0,0|3,0,0]=3 28 B8R1.1 NC[C@H]1CCC(=O)O1 CNP0474294.1 [0,0,0,0,0,0|1,0,0]=1 29 B8R1.1 O=C1C=C(CO1)CO CNP0230672.0 [0,0,0,0,0,0|3,0,1]=4 30 B8R1.1 O=C1C=C[C@H](O1)CO CNP0279402.1 [0,0,0,0,0,0|1,0,2]=3 31 B8R1.1 O=C1CCC(=N1)NO CNP0611972.0 [0,0,0,0,0,0|3,0,1]=4 32 B8R1.1 O=C1CCC(=NO)N1 CNP0248751.0 [0,0,0,0,0,0|3,0,1]=4 33 B8R1.1 O=C1CC[C@@H](C1)CO CNP0540442.1 [0,0,0,0,0,0|2,0,0]=2 34 B8R1.1 O=C1CC[C@@H](N1)CBr CNP0024090.1 [0,0,0,0,0,0|2,0,0]=2 35 B8R1.1 O=C1CC[C@@H](O1)CBr CNP0033303.1 [0,0,0,0,0,0|1,0,0]=1 36 B8R1.1 O=C1CC[C@@H](O1)CO CNP0117294.2 [0,0,0,0,0,0|1,0,0]=1 37 B8R1.1 O=C1CC[C@H](O1)CO CNP0117294.1 [0,0,0,0,0,0|1,0,0]=1 38 B8R1.1 O=C[C@@H]1CCC(=N1)O CNP0538916.1 [0,0,0,0,0,0|2,0,2]=4 39 B8R1.1 OC[C@H]1CC[C@@H](C1)O CNP0523551.1 [0,0,0,0,0,0|2,0,2]=4 40 B7R1.1 CCC1=CC=CO1 CNP0402547.0 [1,0,0,0,0,0|0,0,3]=4 41 B7R1.1 CCC1=CCCC1 CNP0080677.0 [1,0,0,0,0,0|1,0,2]=4 42 B7R1.1 CCC1CCCC1 CNP0273207.0 [1,0,0,0,0,0|1,0,1]=3 43 B7R1.1 CCC1OCCO1 CNP0566823.0 [1,0,0,0,0,0|1,0,1]=3 44 B7R1.1 COC1OCCO1 CNP0076084.0 [1,0,0,0,0,0|2,0,1]=4 45 B7R1.1 NC[C@@H]1CCCN1 CNP0565632.1 [1,0,0,0,0,0|2,0,1]=4 46 B7R1.1 OC[C@@H]1CCCN1 CNP0083051.2 [1,0,0,0,0,0|2,0,1]=4 47 B7R1.1 OC[C@@H]1CCCO1 CNP0262830.1 [1,0,0,0,0,0|1,0,1]=3 48 B7R1.1 OC[C@H]1CCCN1 CNP0083051.1 [1,0,0,0,0,0|2,0,1]=4 49 B7R1.1 OC[C@H]1CCCO1 CNP0262830.2 [1,0,0,0,0,0|1,0,1]=3 50 B7R1.2 CC1=CC(=O)CC1 CNP0317275.0 [1,0,0,0,0,0|1,0,1]=3 51 B7R1.2 CC1=CC(=O)CO1 CNP0257916.0 [1,0,0,0,0,0|2,0,1]=4 52 B7R1.2 CC1=CC(=O)OC1 CNP0565176.0 [1,0,0,0,0,0|2,0,1]=4 53 B7R1.2 CC1=CC(=S)CC1 CNP0042519.0 [1,0,0,0,0,0|1,1,1]=4 54 B7R1.2 CC1=CCC(=O)O1 CNP0256319.0 [1,0,0,0,0,0|0,0,2]=3 55 B7R1.2 CC1=NC(CN1)C CNP0564639.0 [1,0,0,0,0,0|3,0,0]=4 56 B7R1.2 CC1=NC(OC1)C CNP0002478.0 [1,0,0,0,0,0|3,0,0]=4 57 B7R1.2 CC1=NC(SC1)C CNP0372580.0 [1,0,0,0,0,0|3,0,0]=4 58 B7R1.2 CC1=NC[C@@H](N1)C CNP0268657.1 [1,0,0,0,0,0|3,0,0]=4 59 B7R1.2 CC1C=C(CC1)O CNP0082123.0 [1,0,0,0,0,0|1,0,1]=3 60 B7R1.2 CC1C=CC(=O)O1 CNP0003646.0 [1,0,0,0,0,0|0,0,2]=3 61 B7R1.2 CC1CCC(=O)C1 CNP0601005.0 [1,0,0,0,0,0|1,0,0]=2 62 B7R1.2 CC1CCC(=O)S1 CNP0014457.0 [1,0,0,0,0,0|0,1,0]=2 63 B7R1.2 CC1CCC(C1)O CNP0608388.0 [1,0,0,0,0,0|1,0,2]=4 64 B7R1.2 CC1CCC(S1)C CNP0003500.0 [1,0,0,0,0,0|1,1,1]=4 65 B7R1.2 CC1CNC(=O)C1 CNP0609130.0 [1,0,0,0,0,0|2,0,0]=3 66 B7R1.2 CC1COC(=O)O1 CNP0609065.0 [1,0,0,0,0,0|1,0,0]=2 67 B7R1.2 C[C@@H]1CCC(=O)O1 CNP0123835.1 [1,0,0,0,0,0|0,0,0]=1 68 B7R1.2 C[C@@H]1CC[C@@H](C1)C CNP0177457.1 [1,0,0,0,0,0|2,0,1]=4 69 B7R1.2 C[C@@H]1CC[C@@H](O1)C CNP0230648.1 [1,0,0,0,0,0|1,0,1]=3 70 B7R1.2 C[C@@H]1COC(=O)C1 CNP0323281.1 [1,0,0,0,0,0|2,0,0]=3 71 B7R1.2 C[C@H]1CCC(=O)O1 CNP0123835.2 [1,0,0,0,0,0|0,0,0]=1 72 B7R1.2 C[C@H]1COC(=O)C1 CNP0323281.2 [1,0,0,0,0,0|2,0,0]=3 73 B7R1.2 C[C@H]1COC(=S)N1 CNP0279656.1 [1,0,0,0,0,0|2,1,0]=4 74 B7R1.2 O=C1CCC(=N1)O CNP0237840.0 [1,0,0,0,0,0|2,0,1]=4 75 B7R1.2 O=C1CCC(=O)C1 CNP0171251.0 [1,0,0,0,0,0|2,0,1]=4 76 B7R1.2 O=C1CCC(=O)N1 CNP0490149.0 [1,0,0,0,0,0|2,0,1]=4 77 B7R1.2 O=C1CCC(=O)O1 CNP0079889.0 [1,0,0,0,0,0|1,0,1]=3 78 B7R1.2 O=C1CC[C@@H](N1)O CNP0286097.2 [1,0,0,0,0,0|2,0,0]=3 79 B7R1.2 O=C1CC[C@H](N1)O CNP0286097.1 [1,0,0,0,0,0|2,0,0]=3 80 B7R1.2 O=C1C[C@@H](CN1)O CNP0188830.1 [1,0,0,0,0,0|3,0,0]=4 81 B7R1.2 O=C1C[C@@H](CO1)O CNP0174638.1 [1,0,0,0,0,0|3,0,0]=4 82 B7R1.2 O=C1C[C@H](CN1)O CNP0188830.2 [1,0,0,0,0,0|3,0,0]=4 83 B7R1.2 O=C1C[C@H](CO1)O CNP0174638.2 [1,0,0,0,0,0|3,0,0]=4 84 B7R1.2 OC1=NC(CC1)O CNP0547002.0 [1,0,0,0,0,0|2,0,1]=4 85 B9R1.7 C=CC[C@H]1CN=C(O1)S CNP0609282.1 [0,1,0,0,0,0|1,1,1]=4 86 B9R1.7 C=CC[C@H]1CNC(=S)O1 CNP0146659.1 [0,1,0,0,0,0|1,1,1]=4 87 B9R1.7 CCCC1=CC(=O)CC1 CNP0248705.0 [0,1,0,0,0,0|1,0,1]=3 88 B9R1.7 CCC[C@H]1CCC(=O)O1 CNP0172695.1 [0,1,0,0,0,0|0,0,0]=1 89 B9R1.7 CCC[C@H]1CC[C@H](C1)C CNP0173723.1 [0,1,0,0,0,0|2,0,1]=4 90 B9R1.7 CCOC1C=CC(=O)N1 CNP0590383.0 [0,1,0,0,0,0|1,0,2]=4 91 B9R1.7 CCO[C@H]1CCC(=O)O1 CNP0310487.1 [0,1,0,0,0,0|0,0,0]=1 92 B9R1.7 CNC[C@H]1CCC(=O)O1 CNP0475322.1 [0,1,0,0,0,0|0,0,0]=1 93 B9R1.7 NCCN1C=CC(=O)O1 CNP0169742.0 [0,1,0,0,0,0|1,0,2]=4 94 B9R1.21 CCC1=CC=C(O1)C=O CNP0610543.0 [0,1,0,0,0,0|0,0,3]=4 95 B9R1.21 CC[C@@H]1CC[C@@H](O1)CC CNP0244835.1 [0,1,0,0,0,0|1,0,1]=3 96 B9R1.21 CC[C@@H]1CC[C@H](O1)CC CNP0244835.2 [0,1,0,0,0,0|1,0,1]=3 97 B9R1.21 OC[C@@H]1CC[C@@H](O1)CO CNP0531735.1 [0,1,0,0,0,0|1,0,2]=4 98 B9R1.22 CC1=CC(=O)O[C@H]1CO CNP0209931.1 [0,1,0,0,0,0|1,0,2]=4 99 B9R1.22 CCC1OC(=O)CC1C CNP0611861.0 [0,1,0,0,0,0|0,0,0]=1 100 B9R1.22 CC[C@@H]1C[C@@H](C[C@H]1C)C CNP0257399.1 [0,1,0,0,0,0|2,0,1]=4 101 B9R1.22 O=C1C=C(C(O1)CO)O CNP0517348.0 [0,1,0,0,0,0|1,0,2]=4 102 B9R1.22 O=C1C[C@@H]([C@H](O1)CO)O CNP0110439.1 [0,1,0,0,0,0|1,0,0]=2 103 B9R1.22 OC[C@@H]1O[C@@H](C[C@H]1O)O CNP0146341.2 [0,1,0,0,0,0|1,0,2]=4 104 B9R1.22 OC[C@H]1OC(C[C@@H]1O)O CNP0146341.1 [0,1,0,0,0,0|1,0,2]=4 105 B9R1.22 OC[C@H]1O[C@H](C[C@@H]1O)O CNP0146341.3 [0,1,0,0,0,0|1,0,2]=4 106 B9R1.23 CC1=CC(OC1=O)CCl CNP0359086.0 [0,1,0,0,0,0|1,0,2]=4 107 B9R1.23 CCC1N=C(C(S1)C)C CNP0002846.0 [0,1,0,0,0,0|3,0,0]=4 108 B9R1.23 CC[C@H]1C=C(C(=O)C1)O CNP0284446.1 [0,1,0,0,0,0|1,0,2]=4 109 B9R1.23 O=C1O[C@@H](C[C@@H]1O)CO CNP0181020.1 [0,1,0,0,0,0|1,0,0]=2 110 B9R1.35 CC(=O)[C@@H]1CCC(=O)O1 CNP0235501.1 [0,1,0,0,0,0|0,0,1]=2 111 B9R1.35 CC(C)C1=CC(=O)CC1 CNP0206297.0 [0,1,0,0,0,0|1,0,1]=3 112 B9R1.35 CC(C)C1=CC(=O)OC1 CNP0608486.0 [0,1,0,0,0,0|2,0,1]=4 113 B9R1.35 CC(C)[C@@H]1CCC(=O)O1 CNP0292712.2 [0,1,0,0,0,0|0,0,0]=1 114 B9R1.35 CC(C)[C@H]1C=CC(=O)N1 CNP0479799.1 [0,1,0,0,0,0|1,0,2]=4 115 B9R1.35 CC(C)[C@H]1C=CC(=O)O1 CNP0264367.1 [0,1,0,0,0,0|0,0,2]=3 116 B9R1.35 CC(C)[C@H]1CCC(=O)O1 CNP0292712.1 [0,1,0,0,0,0|0,0,0]=1 117 B9R1.35 CC(O)C1COC(=O)C1 CNP0564312.0 [0,1,0,0,0,0|2,0,0]=3 118 B9R1.35 C[C@@H](O)C1=CC(=O)CC1 CNP0072529.1 [0,1,0,0,0,0|1,0,1]=3 119 B9R1.35 C[C@@H](O)[C@@H]1CCC(=O)O1 CNP0205569.1 [0,1,0,0,0,0|0,0,0]=1 120 B9R1.35 C[C@@H](O)[C@H]1C=CC(=O)O1 CNP0131918.2 [0,1,0,0,0,0|0,0,2]=3 121 B9R1.35 C[C@H](O)[C@H]1C=CC(=O)O1 CNP0131918.1 [0,1,0,0,0,0|0,0,2]=3 122 B9R1.35 C[C@H](O)[C@H]1CCC(=O)O1 CNP0205569.2 [0,1,0,0,0,0|0,0,0]=1 123 B9R1.35 NC(=O)[C@@H]1CCC(=O)N1 CNP0295319.2 [0,1,0,0,0,0|2,0,1]=4 124 B9R1.35 NC(=O)[C@H]1CCC(=O)N1 CNP0295319.1 [0,1,0,0,0,0|2,0,1]=4 125 B9R1.35 NC(=O)[C@H]1CCC(=O)O1 CNP0031489.1 [0,1,0,0,0,0|1,0,1]=3 126 B9R1.35 O=C1CC[C@@H](N1)C(=O)O CNP0206174.1 [0,1,0,0,0,0|2,0,1]=4 127 B9R1.35 O=C1CC[C@@H](O1)C(=O)O CNP0464408.1 [0,1,0,0,0,0|1,0,1]=3 128 B9R1.35 O=C1CC[C@H](N1)C(=O)O CNP0206174.2 [0,1,0,0,0,0|2,0,1]=4 129 B9R1.125 C=CC1(CCC(=O)O1)C CNP0341884.0 [0,1,0,0,0,0|0,0,2]=3 130 B9R1.125 CCC1(COC(=O)C1)C CNP0300906.0 [0,1,0,0,0,0|2,0,0]=3 131 B9R1.125 CC[C@@]1(CNC(=S)O1)C CNP0282162.1 [0,1,0,0,0,0|1,1,0]=3 132 B9R1.125 CC[C@]1(CN=C(O1)S)C CNP0535131.1 [0,1,0,0,0,0|1,1,0]=3 133 B9R1.125 CC[C@]1(CNC(=S)O1)C CNP0282162.2 [0,1,0,0,0,0|1,1,0]=3 134 B9R1.125 C[C@@]1(C=CC(=O)O1)CO CNP0110252.1 [0,1,0,0,0,0|1,0,2]=4 135 B9R1.132 CCC1=C(C(=N)CC1)O CNP0002638.0 [0,1,0,0,0,0|2,0,1]=4 136 B9R1.132 CCC1=C(C(=O)CC1)O CNP0259371.0 [0,1,0,0,0,0|1,0,1]=3 137 B9R1.132 CC[C@H]1CCC(=O)C1=O CNP0157827.1 [0,1,0,0,0,0|1,0,0]=2 138 B7R0.2 CC(=O)OC(C)C#N CNP0194658.0 [0,0,1,0,0,0|1,0,1]=3 139 B7R0.2 CC(=O)OC(C)C=O CNP0528164.0 [0,0,1,0,0,0|1,0,1]=3 140 B7R0.2 CC(CO)CC(=O)O CNP0350905.0 [0,0,1,0,0,0|3,0,0]=4 141 B7R0.2 CCC(=CC(=O)C)C CNP0380051.0 [0,0,1,0,0,0|1,0,1]=3 142 B7R0.2 CCC(=CC(=O)O)C CNP0340018.0 [0,0,1,0,0,0|2,0,1]=4 143 B7R0.2 CCC(=O)NC(=O)C CNP0168988.0 [0,0,1,0,0,0|2,0,1]=4 144 B7R0.2 CCC(C)CC(=O)C CNP0555982.0 [0,0,1,0,0,0|1,0,0]=2 145 B7R0.2 CC[C@@H](C)CC(=O)O CNP0258429.2 [0,0,1,0,0,0|2,0,0]=3 146 B7R0.2 CC[C@@H](C)OC(=O)C CNP0076550.2 [0,0,1,0,0,0|0,0,0]=1 147 B7R0.2 CC[C@H](C)CC(=O)Cl CNP0111918.1 [0,0,1,0,0,0|2,0,0]=3 148 B7R0.2 CC[C@H](C)CC(=O)N CNP0105662.1 [0,0,1,0,0,0|2,0,0]=3 149 B7R0.2 CC[C@H](C)CC(=O)O CNP0258429.1 [0,0,1,0,0,0|2,0,0]=3 150 B7R0.2 CC[C@H](C)CC(C)C CNP0229015.1 [0,0,1,0,0,0|2,0,1]=4 151 B7R0.2 CC[C@H](C)NC(=N)S CNP0609369.1 [0,0,1,0,0,0|2,1,0]=4 152 B7R0.2 CC[C@H](C)NC(=S)N CNP0206786.1 [0,0,1,0,0,0|2,1,0]=4 153 B7R0.2 CC[C@H](C)OC(=O)C CNP0076550.1 [0,0,1,0,0,0|0,0,0]=1 154 B7R0.2 CC[C@H](O)CC(=O)N CNP0018371.1 [0,0,1,0,0,0|3,0,0]=4 155 B7R0.2 CC[C@H](O)CC(=O)O CNP0308552.1 [0,0,1,0,0,0|3,0,0]=4 156 B7R0.2 COC(=CC(=O)C)C CNP0350005.0 [0,0,1,0,0,0|2,0,1]=4 157 B7R0.3 C=C(CC)CCCC CNP0084703.0 [0,0,1,0,0,0|2,0,0]=3 158 B7R0.3 C=CC(=O)CCCC CNP0083902.0 [0,0,1,0,0,0|1,0,2]=4 159 B7R0.3 C=CC(=O)OCCO CNP0080032.0 [0,0,1,0,0,0|1,0,2]=4 160 B7R0.3 C=CCC[C@@H](Br)CBr CNP0342549.2 [0,0,1,0,0,0|3,0,0]=4 161 B7R0.3 C=CCC[C@H](Br)CBr CNP0342549.1 [0,0,1,0,0,0|3,0,0]=4 162 B7R0.3 C=CCSC(=O)CC CNP0172366.0 [0,0,1,0,0,0|0,1,2]=4 163 B7R0.3 CCC(=O)CCSC CNP0003468.0 [0,0,1,0,0,0|2,0,0]=3 164 B7R0.3 CCC(=O)OCCO CNP0095595.0 [0,0,1,0,0,0|1,0,0]=2 165 B7R0.3 CCC(C)CCCO CNP0251541.0 [0,0,1,0,0,0|1,0,2]=4 166 B7R0.3 CCC=CC(=O)CC CNP0166330.0 [0,0,1,0,0,0|1,0,1]=3 167 B7R0.3 CCCC=C(C)CC CNP0263169.0 [0,0,1,0,0,0|2,0,0]=3 168 B7R0.3 CCCCC(=O)CC CNP0286726.0 [0,0,1,0,0,0|1,0,0]=2 169 B7R0.3 CCCCC(=O)OC CNP0184855.0 [0,0,1,0,0,0|2,0,0]=3 170 B7R0.3 CCCCC(O)CO CNP0481107.0 [0,0,1,0,0,0|2,0,1]=4 171 B7R0.3 CCCC[C@@H](C)CC CNP0161853.2 [0,0,1,0,0,0|2,0,1]=4 172 B7R0.3 CCCC[C@H](C)CC CNP0161853.1 [0,0,1,0,0,0|2,0,1]=4 173 B7R0.3 CCCC[C@H](O)CC CNP0102609.1 [0,0,1,0,0,0|1,0,1]=3 174 B7R0.3 CCCOC(=O)CC CNP0296678.0 [0,0,1,0,0,0|0,0,0]=1 175 B7R0.3 CCCSC(S)CC CNP0370062.0 [0,0,1,0,0,0|0,2,1]=4 176 B7R0.3 CCOCC(=O)OC CNP0306071.0 [0,0,1,0,0,0|3,0,0]=4 177 B7R0.3 CC[C@H](O)CSC#N CNP0143316.1 [0,0,1,0,0,0|2,0,1]=4 178 B7R0.3 COC(=O)CCC=O CNP0246367.0 [0,0,1,0,0,0|1,0,2]=4 179 B7R0.3 COC(=O)CCSC CNP0302353.0 [0,0,1,0,0,0|3,0,0]=4 180 B7R0.3 NC(C=O)CCC=O CNP0504605.0 [0,0,1,0,0,0|2,0,1]=4 181 B7R0.3 NC[C@@H](O)CC=C=O CNP0374257.1 [0,0,1,0,0,0|1,0,2]=4 182 B7R0.4 C=C(O)CCCCC CNP0475201.0 [0,0,1,0,0,0|1,0,0]=2 183 B7R0.4 C=CCCCC(=O)O CNP0553840.0 [0,0,1,0,0,0|0,0,2]=3 184 B7R0.4 C=CCNCC(=O)O CNP0542042.0 [0,0,1,0,0,0|1,0,2]=4 185 B7R0.4 CC(=O)CCCC=O CNP0331218.0 [0,0,1,0,0,0|2,0,1]=4 186 B7R0.4 CC(=O)OCCCS CNP0325111.0 [0,0,1,0,0,0|3,0,0]=4 187 B7R0.4 CC(O)CCCCO CNP0285438.0 [0,0,1,0,0,0|2,0,1]=4 188 B7R0.4 CC=CCCC(=O)O CNP0086055.0 [0,0,1,0,0,0|0,0,2]=3 189 B7R0.4 CCC=CCC(=O)C CNP0207647.0 [0,0,1,0,0,0|1,0,2]=4 190 B7R0.4 CCC=CCC(=O)O CNP0276461.0 [0,0,1,0,0,0|0,0,2]=3 191 B7R0.4 CCCC=CC(=O)C CNP0280826.0 [0,0,1,0,0,0|1,0,2]=4 192 B7R0.4 CCCC=CC(=O)O CNP0215085.0 [0,0,1,0,0,0|0,0,2]=3 193 B7R0.4 CCCCCC(=O)C CNP0240774.0 [0,0,1,0,0,0|1,0,0]=2 194 B7R0.4 CCCCCC(=O)N CNP0077222.0 [0,0,1,0,0,0|1,0,0]=2 195 B7R0.4 CCCCCC(=O)O CNP0210437.0 [0,0,1,0,0,0|0,0,0]=1 196 B7R0.4 CCCCCC(=S)O CNP0092443.0 [0,0,1,0,0,0|0,1,0]=2 197 B7R0.4 CCCCCC(C)C CNP0146536.0 [0,0,1,0,0,0|2,0,1]=4 198 B7R0.4 CCCCC[14C](=O)O CNP0563421.0 [0,0,1,0,0,0|0,0,0]=1 199 B7R0.4 CCCCC[C@@H](C)N CNP0336832.2 [0,0,1,0,0,0|2,0,1]=4 200 B7R0.4 CCCCC[C@@H](C)O CNP0256316.1 [0,0,1,0,0,0|1,0,1]=3 201 B7R0.4 CCCCC[C@@H](C)S CNP0076785.2 [0,0,1,0,0,0|1,1,1]=4 202 B7R0.4 CCCCC[C@H](C)N CNP0336832.1 [0,0,1,0,0,0|2,0,1]=4 203 B7R0.4 CCCCC[C@H](C)O CNP0256316.2 [0,0,1,0,0,0|1,0,1]=3 204 B7R0.4 CCCCC[C@H](C)S CNP0076785.1 [0,0,1,0,0,0|1,1,1]=4 205 B7R0.4 CCCCNC(=S)N CNP0137764.0 [0,0,1,0,0,0|2,1,0]=4 206 B7R0.4 CCCCOC(=O)C CNP0158571.0 [0,0,1,0,0,0|2,0,0]=3 207 B7R0.4 CCCSOC(=O)C CNP0411356.0 [0,0,1,0,0,0|3,0,0]=4 208 B7R0.4 CCNCNC(=O)N CNP0182596.0 [0,0,1,0,0,0|3,0,0]=4 209 B7R0.4 CCOCCC(=O)C CNP0086134.0 [0,0,1,0,0,0|2,0,0]=3 210 B7R0.4 CCOCCC(=O)O CNP0566237.0 [0,0,1,0,0,0|1,0,0]=2 211 B7R0.4 CNCCCC(=O)O CNP0216187.0 [0,0,1,0,0,0|1,0,0]=2 212 B7R0.4 COCCCC(=O)C CNP0580201.0 [0,0,1,0,0,0|2,0,0]=3 213 B7R0.4 COCCOC(=O)C CNP0278807.0 [0,0,1,0,0,0|3,0,0]=4 214 B7R0.4 N#CCCCC(=O)N CNP0321231.0 [0,0,1,0,0,0|2,0,1]=4 215 B7R0.4 N#CCCCC(=O)O CNP0192028.0 [0,0,1,0,0,0|1,0,1]=3 216 B7R0.4 NC(=O)COCCO CNP0488363.0 [0,0,1,0,0,0|3,0,0]=4 217 B7R0.4 NCCCCC(=O)N CNP0001733.0 [0,0,1,0,0,0|2,0,0]=3 218 B7R0.4 NCCCCC(=O)O CNP0167970.0 [0,0,1,0,0,0|1,0,0]=2 219 B7R0.4 NCCNCC(=O)O CNP0461877.0 [0,0,1,0,0,0|2,0,0]=3 220 B7R0.4 O=C(O)CCCCO CNP0601188.0 [0,0,1,0,0,0|1,0,0]=2 221 B7R0.4 O=C(O)CNCCO CNP0333030.0 [0,0,1,0,0,0|2,0,0]=3 222 B7R0.4 O=CCCCC(=O)O CNP0051154.0 [0,0,1,0,0,0|1,0,1]=3 223 B7R0.12 C=CCC(CC)CC CNP0564971.0 [0,0,1,0,0,0|2,0,0]=3 224 B7R0.12 CCCC(CC)CC CNP0154770.0 [0,0,1,0,0,0|2,0,1]=4 225 B7R0.12 CCSC(CC)CC CNP0199582.0 [0,0,1,0,0,0|1,1,1]=4 226 B7R0.12 O=COC(CO)CO CNP0272402.0 [0,0,1,0,0,0|2,0,0]=3 227 B9R2.39 O=C1C[C@H]2CC[C@@H]1C2 CNP0573835.1 [0,0,0,1,0,0|1,0,0]=2 228 B9R2.110 OC12CCC(C1)CC2 CNP0551977.0 [0,0,0,1,0,0|1,0,2]=4 229 B7R1.8 CCC1CCC1O CNP0521190.0 [0,0,0,0,1,0|0,0,2]=3 230 B9R1.1 CCC1CCC(=O)CC1 CNP0599298.0 [0,0,0,0,0,1|1,0,0]=2 231 B9R1.1 CC[C@H]1CC=C(CC1)C CNP0192246.1 [0,0,0,0,0,1|2,0,0]=3 232 B9R1.1 CC[C@H]1CC[C@@H](CC1)C CNP0336780.1 [0,0,0,0,0,1|2,0,1]=4 233 B9R1.1 CC[C@H]1CC[C@@H](CC1)O CNP0167936.1 [0,0,0,0,0,1|1,0,2]=4 234 B9R1.1 CC[C@H]1CC[C@H](CC1)O CNP0167936.2 [0,0,0,0,0,1|1,0,2]=4 235 B9R1.1 COC1CCC(=O)CC1 CNP0217757.0 [0,0,0,0,0,1|2,0,0]=3 236 B9R1.2 CC[C@@H]1CCC[C@@H](C1)C CNP0296187.1 [0,0,0,0,0,1|2,0,1]=4 237 B9R1.2 CC[C@H]1CCCC(=O)O1 CNP0210303.1 [0,0,0,0,0,1|0,0,0]=1 238 B9R1.2 CNC1=CC(=O)CCC1 CNP0160818.0 [0,0,0,0,0,1|2,0,1]=4 239 B9R1.2 COC1=CC(=O)OCC1 CNP0195461.0 [0,0,0,0,0,1|2,0,1]=4 240 B9R1.2 CO[C@@H]1CCC[C@@H](O1)C CNP0008964.3 [0,0,0,0,0,1|2,0,1]=4 241 B9R1.2 CO[C@@H]1CCC[C@H](O1)C CNP0008964.4 [0,0,0,0,0,1|2,0,1]=4 242 B9R1.2 CO[C@H]1CCCC(=O)N1 CNP0146387.1 [0,0,0,0,0,1|2,0,0]=3 243 B9R1.2 CO[C@H]1CCC[C@@H](O1)C CNP0008964.1 [0,0,0,0,0,1|2,0,1]=4 244 B9R1.2 CO[C@H]1CCC[C@H](O1)C CNP0008964.2 [0,0,0,0,0,1|2,0,1]=4 245 B6R0.1 C=C([CH]CC)CC CNP0529223.0 [1,0,1,0,0,0|1,0,1]=4 246 B6R0.1 C=CC(=O)CCC CNP0162905.0 [1,0,1,0,0,0|0,0,2]=4 247 B6R0.1 C=CC(=O)OCC CNP0197495.0 [1,0,1,0,0,0|0,0,2]=4 248 B6R0.1 C=CCC(=O)CC CNP0580605.0 [1,0,1,0,0,0|0,0,2]=4 249 B6R0.1 CC=CC(=O)CC CNP0127812.0 [1,0,1,0,0,0|0,0,2]=4 250 B6R0.1 CCC(=O)CSC CNP0170567.0 [1,0,1,0,0,0|1,0,0]=3 251 B6R0.1 CCC(Br)CCBr CNP0612222.0 [1,0,1,0,0,0|2,0,0]=4 252 B6R0.1 CCC(C)CC=O CNP0531748.0 [1,0,1,0,0,0|1,0,0]=3 253 B6R0.1 CCC(C)NC=O CNP0583042.0 [1,0,1,0,0,0|1,0,0]=3 254 B6R0.1 CCC(C)OC=O CNP0570369.0 [1,0,1,0,0,0|0,0,0]=2 255 B6R0.1 CCC(C)ON=O CNP0521211.0 [1,0,1,0,0,0|1,0,0]=3 256 B6R0.1 CCCC(=O)C#N CNP0204240.0 [1,0,1,0,0,0|1,0,1]=4 257 B6R0.1 CCCC(=O)C=O CNP0111121.0 [1,0,1,0,0,0|1,0,1]=4 258 B6R0.1 CCCC(=O)CC CNP0248158.0 [1,0,1,0,0,0|0,0,0]=2 259 B6R0.1 CCCC(=O)CO CNP0084314.0 [1,0,1,0,0,0|1,0,0]=3 260 B6R0.1 CCCC(=O)OC CNP0159910.0 [1,0,1,0,0,0|1,0,0]=3 261 B6R0.1 CCCC(=O)SC CNP0084452.0 [1,0,1,0,0,0|1,0,0]=3 262 B6R0.1 CCC[C@@H](C)CC CNP0407855.1 [1,0,1,0,0,0|1,0,1]=4 263 B6R0.1 CCC[C@@H](O)CC CNP0346810.2 [1,0,1,0,0,0|0,0,1]=3 264 B6R0.1 CCC[C@H](C)CC CNP0407855.2 [1,0,1,0,0,0|1,0,1]=4 265 B6R0.1 CCC[C@H](O)CC CNP0346810.1 [1,0,1,0,0,0|0,0,1]=3 266 B6R0.1 CCNC(=O)CC CNP0586892.0 [1,0,1,0,0,0|1,0,0]=3 267 B6R0.1 CCNC(=O)OC CNP0585352.0 [1,0,1,0,0,0|2,0,0]=4 268 B6R0.1 CCOC(=O)C=O CNP0218484.0 [1,0,1,0,0,0|1,0,1]=4 269 B6R0.1 CCOC(=O)CC CNP0169171.0 [1,0,1,0,0,0|0,0,0]=2 270 B6R0.1 CCOC(=O)CI CNP0158474.0 [1,0,1,0,0,0|1,0,0]=3 271 B6R0.1 CCOC(=O)NC CNP0565390.0 [1,0,1,0,0,0|1,0,0]=3 272 B6R0.1 CCOC(C)CC CNP0086282.0 [1,0,1,0,0,0|0,0,1]=3 273 B6R0.1 CCOC(C)OC CNP0612171.0 [1,0,1,0,0,0|1,0,1]=4 274 B6R0.1 CCSC(=O)CC CNP0265303.0 [1,0,1,0,0,0|0,1,0]=3 275 B6R0.1 CC[C@@H](C)CCO CNP0260863.2 [1,0,1,0,0,0|1,0,1]=4 276 B6R0.1 CC[C@@H](C)SSC CNP0348346.1 [1,0,1,0,0,0|1,1,0]=4 277 B6R0.1 CC[C@H](C)CCO CNP0260863.1 [1,0,1,0,0,0|1,0,1]=4 278 B6R0.1 CNCC(=O)OC CNP0311286.0 [1,0,1,0,0,0|2,0,0]=4 279 B6R0.1 COC(=O)CSC CNP0189712.0 [1,0,1,0,0,0|2,0,0]=4 280 B6R0.1 COCC(=O)OC CNP0202591.0 [1,0,1,0,0,0|2,0,0]=4 281 B6R0.1 CSC(C)CC=O CNP0002406.0 [1,0,1,0,0,0|2,0,0]=4 282 B6R0.1 NCC[C@@H](O)CN CNP0347226.2 [1,0,1,0,0,0|2,0,0]=4 283 B6R0.1 NCC[C@H](O)CN CNP0347226.1 [1,0,1,0,0,0|2,0,0]=4 284 B6R0.1 OCC[C@H](O)CO CNP0190269.1 [1,0,1,0,0,0|1,0,1]=4 285 B6R0.2 CC(=CC(C)C)C CNP0084966.0 [1,0,1,0,0,0|2,0,0]=4 286 B6R0.2 CC(=C[13C](=O)C)C CNP0541964.0 [1,0,1,0,0,0|1,0,1]=4 287 B6R0.2 CC(=O)C=C(C)C CNP0258331.0 [1,0,1,0,0,0|1,0,1]=4 288 B6R0.2 CC(=O)CC(C)C CNP0178924.0 [1,0,1,0,0,0|1,0,0]=3 289 B6R0.2 CC(=O)C[C@@H](C)O CNP0209002.1 [1,0,1,0,0,0|2,0,0]=4 290 B6R0.2 CC(=O)C[C@H](C)O CNP0209002.2 [1,0,1,0,0,0|2,0,0]=4 291 B6R0.2 CC(=O)OC(=O)C CNP0296904.0 [1,0,1,0,0,0|1,0,1]=4 292 B6R0.2 CC(=O)OC(C)C CNP0234567.0 [1,0,1,0,0,0|0,0,0]=2 293 B6R0.2 CC(=S)OC(C)C CNP0539735.0 [1,0,1,0,0,0|0,1,0]=3 294 B6R0.2 CC(C)CC(=O)N CNP0512695.0 [1,0,1,0,0,0|2,0,0]=4 295 B6R0.2 CC(C)NC(=O)N CNP0331187.0 [1,0,1,0,0,0|2,0,0]=4 296 B6R0.2 C[C@H]([13CH3])CC(=O)O CNP0175489.1 [1,0,1,0,0,0|2,0,0]=4 297 B6R0.4 C=CCCC(=O)O CNP0003359.0 [1,0,1,0,0,0|0,0,2]=4 298 B6R0.4 C=CCCC(C)O CNP0519217.0 [1,0,1,0,0,0|1,0,0]=3 299 B6R0.4 C=CCOC(=O)C CNP0175648.0 [1,0,1,0,0,0|0,0,2]=4 300 B6R0.4 CC(=O)CCC=O CNP0261239.0 [1,0,1,0,0,0|0,0,2]=4 301 B6R0.4 CC(=O)NCCN CNP0182526.0 [1,0,1,0,0,0|2,0,0]=4 302 B6R0.4 CC(=O)NCCO CNP0304709.0 [1,0,1,0,0,0|2,0,0]=4 303 B6R0.4 CC(=O)NCCS CNP0516453.0 [1,0,1,0,0,0|2,0,0]=4 304 B6R0.4 CC(=O)OCCI CNP0274212.0 [1,0,1,0,0,0|1,0,0]=3 305 B6R0.4 CC(=O)OCCN CNP0165405.0 [1,0,1,0,0,0|1,0,0]=3 306 B6R0.4 CC(=O)OCCO CNP0589275.0 [1,0,1,0,0,0|1,0,0]=3 307 B6R0.4 CC(C)CCC=O CNP0198082.0 [1,0,1,0,0,0|1,0,0]=3 308 B6R0.4 CC(C)CNC=O CNP0473867.0 [1,0,1,0,0,0|2,0,0]=4 309 B6R0.4 CC(C)COC=O CNP0232692.0 [1,0,1,0,0,0|2,0,0]=4 310 B6R0.4 CC=CCC(=O)O CNP0610144.0 [1,0,1,0,0,0|0,0,2]=4 311 B6R0.4 CC=CCC(C)O CNP0217280.0 [1,0,1,0,0,0|1,0,1]=4 312 B6R0.4 CCC=CC(=O)C CNP0129352.0 [1,0,1,0,0,0|1,0,1]=4 313 B6R0.4 CCC=CC(=O)O CNP0185292.0 [1,0,1,0,0,0|0,0,2]=4 314 B6R0.4 CCCC=C(C)O CNP0268446.0 [1,0,1,0,0,0|1,0,1]=4 315 B6R0.4 CCCCB(O)O CNP0482760.0 [1,0,1,0,0,0|1,0,1]=4 316 B6R0.4 CCCCC(=O)C CNP0194685.0 [1,0,1,0,0,0|1,0,0]=3 317 B6R0.4 CCCCC(=O)N CNP0248834.0 [1,0,1,0,0,0|1,0,0]=3 318 B6R0.4 CCCCC(=O)O CNP0144818.0 [1,0,1,0,0,0|0,0,0]=2 319 B6R0.4 CCCC[11C](=O)O CNP0540258.0 [1,0,1,0,0,0|0,0,0]=2 320 B6R0.4 CCCC[C@@H](C)O CNP0276755.1 [1,0,1,0,0,0|1,0,1]=4 321 B6R0.4 CCCC[C@H](C)O CNP0276755.2 [1,0,1,0,0,0|1,0,1]=4 322 B6R0.4 CCCNC(=O)C CNP0115400.0 [1,0,1,0,0,0|1,0,0]=3 323 B6R0.4 CCCOC(=O)C CNP0274142.0 [1,0,1,0,0,0|0,0,0]=2 324 B6R0.4 CCCSC(=O)C CNP0076500.0 [1,0,1,0,0,0|0,1,0]=3 325 B6R0.4 CCNCC(=O)O CNP0076362.0 [1,0,1,0,0,0|1,0,0]=3 326 B6R0.4 CCOCC(=O)N CNP0329352.0 [1,0,1,0,0,0|2,0,0]=4 327 B6R0.4 CCOCC(=O)O CNP0229583.0 [1,0,1,0,0,0|1,0,0]=3 328 B6R0.4 CNCCC(=O)O CNP0502963.0 [1,0,1,0,0,0|1,0,0]=3 329 B6R0.4 CSCCC(=O)C CNP0353152.0 [1,0,1,0,0,0|2,0,0]=4 330 B6R0.4 CSCCC(=O)N CNP0220146.0 [1,0,1,0,0,0|2,0,0]=4 331 B6R0.4 CSCCC(=O)O CNP0143779.0 [1,0,1,0,0,0|1,0,0]=3 332 B6R0.4 CSCC[C@@H](C)O CNP0206291.1 [1,0,1,0,0,0|2,0,0]=4 333 B6R0.4 CSCSC(=O)C CNP0232862.0 [1,0,1,0,0,0|1,1,0]=4 334 B6R0.4 C[N+]CCC(=O)[O-] CNP0588104.0 [1,0,1,0,0,0|1,0,1]=4 335 B6R0.4 C[S+](C)CCC=O CNP0136791.0 [1,0,1,0,0,0|2,0,0]=4 336 B6R0.4 NC(=O)CCCO CNP0573523.0 [1,0,1,0,0,0|2,0,0]=4 337 B6R0.4 NCCCC(=O)O CNP0116256.0 [1,0,1,0,0,0|1,0,0]=3 338 B6R0.4 O=C(O)CCCO CNP0236331.0 [1,0,1,0,0,0|1,0,0]=3 339 B6R0.4 O=C([O-])CCCO CNP0492590.0 [1,0,1,0,0,0|1,0,1]=4 340 B6R0.4 O=CCCC(=O)O CNP0318740.0 [1,0,1,0,0,0|1,0,1]=4 341 B6R0.6 C=CCCCCC CNP0226691.0 [1,0,1,0,0,0|1,0,0]=3 342 B6R0.6 C=CCCCCO CNP0162421.0 [1,0,1,0,0,0|2,0,0]=4 343 B6R0.6 C=CCSCCC CNP0150756.0 [1,0,1,0,0,0|2,0,0]=4 344 B6R0.6 C=COCCCC CNP0077236.0 [1,0,1,0,0,0|2,0,0]=4 345 B6R0.6 CC=CCCC=O CNP0056069.0 [1,0,1,0,0,0|0,0,2]=4 346 B6R0.6 CC=CCCCC CNP0158475.0 [1,0,1,0,0,0|1,0,1]=4 347 B6R0.6 CC=CSCCC CNP0320861.0 [1,0,1,0,0,0|0,1,1]=4 348 B6R0.6 CCC=C=CCC CNP0518397.0 [1,0,1,0,0,0|1,0,1]=4 349 B6R0.6 CCC=CCC=O CNP0227189.0 [1,0,1,0,0,0|0,0,2]=4 350 B6R0.6 CCC=CCCC CNP0391454.0 [1,0,1,0,0,0|1,0,0]=3 351 B6R0.6 CCC=CCCO CNP0255718.0 [1,0,1,0,0,0|2,0,0]=4 352 B6R0.6 CCCC=CC=O CNP0263913.0 [1,0,1,0,0,0|0,0,2]=4 353 B6R0.6 CCCC=CCO CNP0254124.0 [1,0,1,0,0,0|2,0,0]=4 354 B6R0.6 CCCCC=CO CNP0511187.0 [1,0,1,0,0,0|0,0,1]=3 355 B6R0.6 CCCCC=NO CNP0149695.0 [1,0,1,0,0,0|1,0,1]=4 356 B6R0.6 CCCCCC#N CNP0412353.0 [1,0,1,0,0,0|1,0,1]=4 357 B6R0.6 CCCCCC=O CNP0304790.0 [1,0,1,0,0,0|0,0,0]=2 358 B6R0.6 CCCCCCC CNP0290800.0 [1,0,1,0,0,0|1,0,1]=4 359 B6R0.6 CCCCCCN CNP0213933.0 [1,0,1,0,0,0|1,0,1]=4 360 B6R0.6 CCCCCCO CNP0317600.0 [1,0,1,0,0,0|0,0,1]=3 361 B6R0.6 CCCCCCS CNP0167948.0 [1,0,1,0,0,0|0,1,1]=4 362 B6R0.6 CCCCCC[O-] CNP0579903.0 [1,0,1,0,0,0|0,0,2]=4 363 B6R0.6 CCCCCNC CNP0276164.0 [1,0,1,0,0,0|2,0,0]=4 364 B6R0.6 CCCCCOC CNP0358174.0 [1,0,1,0,0,0|2,0,0]=4 365 B6R0.6 CCCCCSC CNP0293012.0 [1,0,1,0,0,0|2,0,0]=4 366 B6R0.6 CCCCCSS CNP0228282.0 [1,0,1,0,0,0|1,1,0]=4 367 B6R0.6 CCCCNC=O CNP0082472.0 [1,0,1,0,0,0|1,0,0]=3 368 B6R0.6 CCCCOC=O CNP0282325.0 [1,0,1,0,0,0|1,0,0]=3 369 B6R0.6 CCCCON=O CNP0003508.0 [1,0,1,0,0,0|2,0,0]=4 370 B6R0.6 CCCNCCC CNP0129820.0 [1,0,1,0,0,0|1,0,1]=4 371 B6R0.6 CCCOCCO CNP0079853.0 [1,0,1,0,0,0|1,0,1]=4 372 B6R0.6 CCCSCCC CNP0173387.0 [1,0,1,0,0,0|0,1,1]=4 373 B6R0.6 CCCSSCC CNP0322971.0 [1,0,1,0,0,0|1,1,0]=4 374 B6R0.6 CCOCCCO CNP0304052.0 [1,0,1,0,0,0|1,0,1]=4 375 B6R0.6 CCSCCCO CNP0355297.0 [1,0,1,0,0,0|1,0,1]=4 376 B6R0.6 COCCCCO CNP0570905.0 [1,0,1,0,0,0|1,0,1]=4 377 B6R0.6 CSCCCC=O CNP0002814.0 [1,0,1,0,0,0|1,0,0]=3 378 B6R0.6 CSCCCCO CNP0002400.0 [1,0,1,0,0,0|1,0,1]=4 379 B6R0.6 NCCCCC=O CNP0083786.0 [1,0,1,0,0,0|1,0,0]=3 380 B6R0.6 NCCCCCO CNP0032450.0 [1,0,1,0,0,0|1,0,1]=4 381 B6R0.6 O=CCCCC=O CNP0204417.0 [1,0,1,0,0,0|1,0,1]=4 382 B6R0.6 OCCCCCO CNP0201249.0 [1,0,1,0,0,0|1,0,1]=4 383 B6R0.9 C=C[C@@H](CC)OC CNP0276971.1 [1,0,1,0,0,0|2,0,0]=4 384 B6R0.9 CC=C(C=O)CC CNP0086295.0 [1,0,1,0,0,0|0,0,2]=4 385 B6R0.9 CC=C(CC)CC CNP0246886.0 [1,0,1,0,0,0|1,0,1]=4 386 B6R0.9 CCC(C#N)CC CNP0152089.0 [1,0,1,0,0,0|1,0,1]=4 387 B6R0.9 CCC(C=O)CC CNP0353251.0 [1,0,1,0,0,0|0,0,0]=2 388 B6R0.9 CCC(CC)CC CNP0205695.0 [1,0,1,0,0,0|1,0,1]=4 389 B6R0.9 CCC(CC)SC CNP0410895.0 [1,0,1,0,0,0|0,1,1]=4 390 B6R0.9 CCC(OC)OC CNP0171881.0 [1,0,1,0,0,0|1,0,1]=4 391 B6R0.9 CCN(CC)N=O CNP0419123.0 [1,0,1,0,0,0|2,0,0]=4 392 B6R1.2 C=C1CCCC1 CNP0338602.0 [2,0,0,0,0,0|2,0,0]=4 393 B6R1.2 CC1=CCCC1 CNP0610106.0 [2,0,0,0,0,0|2,0,0]=4 394 B6R1.2 CC1=NCCO1 CNP0601624.0 [2,0,0,0,0,0|2,0,0]=4 395 B6R1.2 CC1C=COC1 CNP0165220.0 [2,0,0,0,0,0|2,0,0]=4 396 B6R1.2 CC1CC=CS1 CNP0249135.0 [2,0,0,0,0,0|0,1,1]=4 397 B6R1.2 CC1CCCC1 CNP0194612.0 [2,0,0,0,0,0|1,0,1]=4 398 B6R1.2 CC1CCCO1 CNP0502439.0 [2,0,0,0,0,0|0,0,1]=3 399 B6R1.2 CC1OCCO1 CNP0611683.0 [2,0,0,0,0,0|1,0,1]=4 400 B6R1.2 C[C@@H]1C=CNC1 CNP0309884.1 [2,0,0,0,0,0|2,0,0]=4 401 B6R1.2 C[C@@H]1CCCN1 CNP0080827.1 [2,0,0,0,0,0|1,0,1]=4 402 B6R1.2 C[C@@H]1CCSC1 CNP0174337.1 [2,0,0,0,0,0|2,0,0]=4 403 B6R1.2 O=C1C=CCC1 CNP0122561.0 [2,0,0,0,0,0|1,0,1]=4 404 B6R1.2 O=C1C=CCO1 CNP0253714.0 [2,0,0,0,0,0|0,0,2]=4 405 B6R1.2 O=C1CC=CO1 CNP0494071.0 [2,0,0,0,0,0|0,0,2]=4 406 B6R1.2 O=C1CCCC1 CNP0287963.0 [2,0,0,0,0,0|1,0,0]=3 407 B6R1.2 O=C1CCCN1 CNP0127855.0 [2,0,0,0,0,0|1,0,0]=3 408 B6R1.2 O=C1CCCO1 CNP0315299.0 [2,0,0,0,0,0|0,0,0]=2 409 B6R1.2 O=C1CCCS1 CNP0084584.0 [2,0,0,0,0,0|0,1,0]=3 410 B6R1.2 O=C1CCNN1 CNP0035182.0 [2,0,0,0,0,0|2,0,0]=4 411 B6R1.2 O=C1CCOC1 CNP0051503.0 [2,0,0,0,0,0|2,0,0]=4 412 B6R1.2 O=C1CCON1 CNP0325381.0 [2,0,0,0,0,0|2,0,0]=4 413 B6R1.2 O=C1CCSC1 CNP0003522.0 [2,0,0,0,0,0|2,0,0]=4 414 B6R1.2 O=C1NCCO1 CNP0064744.0 [2,0,0,0,0,0|1,0,0]=3 415 B6R1.2 OC1=NCCC1 CNP0485346.0 [2,0,0,0,0,0|1,0,1]=4 416 B6R1.2 S=C1NCCO1 CNP0275785.0 [2,0,0,0,0,0|1,1,0]=4 417 B6R1.2 SC1=NCCO1 CNP0580429.0 [2,0,0,0,0,0|1,1,0]=4 418 B8R0.2 CCC(=C(C)C(=O)C)C CNP0598294.0 [0,1,1,0,0,0|1,0,1]=4 419 B8R0.2 CCC(C)[C@@H](N)C(=O)O CNP0337843.4 [0,1,1,0,0,0|2,0,0]=4 420 B8R0.2 CC[C@@H](C)C(=O)C(=O)O CNP0163555.2 [0,1,1,0,0,0|2,0,0]=4 421 B8R0.2 CC[C@@H](C)[C@@H](N)C(=O)O CNP0337843.2 [0,1,1,0,0,0|2,0,0]=4 422 B8R0.2 CC[C@@H](C)[C@@H](O)C(=O)O CNP0290048.1 [0,1,1,0,0,0|2,0,0]=4 423 B8R0.2 CC[C@@H](C)[C@H](N)C(=O)O CNP0337843.3 [0,1,1,0,0,0|2,0,0]=4 424 B8R0.2 CC[C@@H](C)[C@H](O)C(=O)O CNP0290048.3 [0,1,1,0,0,0|2,0,0]=4 425 B8R0.2 CC[C@H](C)C(=O)C(=O)O CNP0163555.1 [0,1,1,0,0,0|2,0,0]=4 426 B8R0.2 CC[C@H](C)[C@@H](N)C(=O)O CNP0337843.5 [0,1,1,0,0,0|2,0,0]=4 427 B8R0.2 CC[C@H](C)[C@@H](O)C(=O)O CNP0290048.4 [0,1,1,0,0,0|2,0,0]=4 428 B8R0.2 CC[C@H](C)[C@H](N)C(=O)O CNP0337843.1 [0,1,1,0,0,0|2,0,0]=4 429 B8R0.2 CC[C@H](C)[C@H](O)C(=O)O CNP0290048.2 [0,1,1,0,0,0|2,0,0]=4 430 B8R0.5 C=C(C)CC(C)CCC CNP0397067.0 [0,1,1,0,0,0|2,0,0]=4 431 B8R0.5 CCCC(=CC(=O)C)C CNP0608479.0 [0,1,1,0,0,0|1,0,1]=4 432 B8R0.5 CCCC(C)CC(=O)C CNP0612236.0 [0,1,1,0,0,0|1,0,0]=3 433 B8R0.5 CCC[C@H](C)CC(=O)O CNP0320012.1 [0,1,1,0,0,0|2,0,0]=4 434 B8R0.5 CCC[C@H](C)OC(=O)C CNP0140745.1 [0,1,1,0,0,0|0,0,0]=2 435 B8R0.5 COCC(C)OC(=O)C CNP0077230.0 [0,1,1,0,0,0|0,0,0]=2 436 B8R0.16 CC(=O)OC(CCl)CCl CNP0287110.0 [0,1,1,0,0,0|1,0,0]=3 437 B8R0.16 CCC(CC)CC(=O)O CNP0188484.0 [0,1,1,0,0,0|2,0,0]=4 438 B8R0.16 COC(CC(=O)C)OC CNP0151886.0 [0,1,1,0,0,0|2,0,0]=4 439 B8R0.19 CCC(=CC(=O)OC)C CNP0599334.0 [0,1,1,0,0,0|1,0,1]=4 440 B8R0.19 CCC(=O)C=C(C)CC CNP0594723.0 [0,1,1,0,0,0|1,0,1]=4 441 B8R0.19 CCC(=O)C[C@@H](C)CC CNP0076878.1 [0,1,1,0,0,0|1,0,0]=3 442 B8R0.19 CCC(=O)C[C@H](C)CC CNP0076878.2 [0,1,1,0,0,0|1,0,0]=3 443 B8R0.19 CCC(=O)OC(=O)CC CNP0221754.0 [0,1,1,0,0,0|1,0,1]=4 444 B8R0.19 CCC(=O)O[C@@H](C)CC CNP0151376.1 [0,1,1,0,0,0|0,0,0]=2 445 B8R0.19 CC[C@H](C)CC(=O)OC CNP0302802.1 [0,1,1,0,0,0|1,0,0]=3 446 B8R0.19 CC[C@H](O)CC(=O)OC CNP0318883.1 [0,1,1,0,0,0|2,0,0]=4 447 B8R0.19 COC(=O)CC(C)SC CNP0007855.0 [0,1,1,0,0,0|2,0,0]=4 448 B8R0.23 CC(=O)C=C(C)C(C)C CNP0033202.0 [0,1,1,0,0,0|1,0,1]=4 449 B8R0.23 CC(=O)CC(S)C(C)C CNP0610501.0 [0,1,1,0,0,0|2,0,0]=4 450 B8R0.23 CC(=O)OC(C)C(=O)Cl CNP0312300.0 [0,1,1,0,0,0|1,0,1]=4 451 B8R0.23 CC(=O)O[C@H](C)C(=O)C CNP0270762.1 [0,1,1,0,0,0|0,0,1]=3 452 B8R0.23 CC(=O)O[C@H](C)C(=O)O CNP0159286.1 [0,1,1,0,0,0|1,0,1]=4 453 B8R0.34 C=CC(C)(C)OC(=O)C CNP0166315.0 [0,1,1,0,0,0|0,0,2]=4 454 B8R0.34 CC(=O)OC(C)(C)C#N CNP0160424.0 [0,1,1,0,0,0|1,0,1]=4 455 B8R0.34 CCC(C)(C)OC(=O)C CNP0609032.0 [0,1,1,0,0,0|0,0,0]=2 456 B8R0.34 CC[C@@](C)(O)CC(=O)O CNP0379279.1 [0,1,1,0,0,0|2,0,0]=4 457 B8R0.34 CSC(C)(C)CC(=O)C CNP0221853.0 [0,1,1,0,0,0|2,0,0]=4 458 B8R0.1 C=CCC[C@@H](O)CCC CNP0196626.2 [0,1,1,0,0,0|1,0,0]=3 459 B8R0.1 C=CCC[C@H](O)CCC CNP0196626.1 [0,1,1,0,0,0|1,0,0]=3 460 B8R0.1 C=CCOC(=O)CCC CNP0002468.0 [0,1,1,0,0,0|0,0,2]=4 461 B8R0.1 CC=CC(=O)CCCC CNP0170062.0 [0,1,1,0,0,0|1,0,1]=4 462 B8R0.1 CC=CCC(O)CCC CNP0497599.0 [0,1,1,0,0,0|1,0,1]=4 463 B8R0.1 CCCC(=O)OCSC CNP0002701.0 [0,1,1,0,0,0|1,0,0]=3 464 B8R0.1 CCCCC(=O)CCC CNP0094009.0 [0,1,1,0,0,0|1,0,0]=3 465 B8R0.1 CCCCC(=O)OCC CNP0305309.0 [0,1,1,0,0,0|1,0,0]=3 466 B8R0.1 CCCC[C@H](O)CCC CNP0195357.1 [0,1,1,0,0,0|1,0,1]=4 467 B8R0.1 CCCOC(=O)CCC CNP0083884.0 [0,1,1,0,0,0|0,0,0]=2 468 B8R0.1 CCCOC(C)OCC CNP0154058.0 [0,1,1,0,0,0|1,0,1]=4 469 B8R0.1 CCOC(=O)CCC=O CNP0576338.0 [0,1,1,0,0,0|0,0,2]=4 470 B8R0.1 CCOC(=O)CCCO CNP0364509.0 [0,1,1,0,0,0|2,0,0]=4 471 B8R0.1 CCOC(=O)CCSC CNP0199051.0 [0,1,1,0,0,0|2,0,0]=4 472 B8R0.3 CCC=C(C)C(=O)CC CNP0523959.0 [0,1,1,0,0,0|1,0,1]=4 473 B8R0.3 CCCC(=O)C(=O)CC CNP0163333.0 [0,1,1,0,0,0|1,0,0]=3 474 B8R0.3 CCC[C@@H](C)C(=O)CC CNP0243373.2 [0,1,1,0,0,0|1,0,0]=3 475 B8R0.3 CCC[C@@H](C)[C@@H](O)CC CNP0195480.3 [0,1,1,0,0,0|1,0,1]=4 476 B8R0.3 CCC[C@H](C)C(=O)CC CNP0243373.1 [0,1,1,0,0,0|1,0,0]=3 477 B8R0.3 CCC[C@H](C)C(=O)OC CNP0002914.1 [0,1,1,0,0,0|2,0,0]=4 478 B8R0.3 CCC[C@H](C)[C@@H](O)CC CNP0195480.2 [0,1,1,0,0,0|1,0,1]=4 479 B8R0.3 CCC[C@H](C)[C@H](O)CC CNP0195480.1 [0,1,1,0,0,0|1,0,1]=4 480 B8R0.3 CCOC(=O)C(=O)CC CNP0506120.0 [0,1,1,0,0,0|2,0,0]=4 481 B8R0.3 O=CC[C@@H](O)[C@@H](O)CO CNP0204667.2 [0,1,1,0,0,0|1,0,0]=3 482 B8R0.3 O=CC[C@H](O)[C@H](O)CO CNP0204667.1 [0,1,1,0,0,0|1,0,0]=3 483 B8R0.6 C=C/C=C/C[C@@H](O)CC CNP0111880.1 [0,1,1,0,0,0|1,0,1]=4 484 B8R0.6 C=CC(=O)OCCCC CNP0191898.0 [0,1,1,0,0,0|0,0,2]=4 485 B8R0.6 CCC(C)OCCCO CNP0593328.0 [0,1,1,0,0,0|1,0,1]=4 486 B8R0.6 CCCC=CC(=O)CC CNP0017905.0 [0,1,1,0,0,0|1,0,0]=3 487 B8R0.6 CCCC=CC(=O)OC CNP0385542.0 [0,1,1,0,0,0|2,0,0]=4 488 B8R0.6 CCCCCC(=O)CC CNP0381627.0 [0,1,1,0,0,0|1,0,0]=3 489 B8R0.6 CCCCCC(=O)CO CNP0546319.0 [0,1,1,0,0,0|2,0,0]=4 490 B8R0.6 CCCCCC(=O)OC CNP0192346.0 [0,1,1,0,0,0|2,0,0]=4 491 B8R0.6 CCCCCC(=O)SC CNP0018085.0 [0,1,1,0,0,0|2,0,0]=4 492 B8R0.6 CCCCC[C@@H](O)CC CNP0204116.1 [0,1,1,0,0,0|1,0,1]=4 493 B8R0.6 CCCCC[C@H](O)CC CNP0204116.2 [0,1,1,0,0,0|1,0,1]=4 494 B8R0.6 CCCCOC(=O)CC CNP0139208.0 [0,1,1,0,0,0|0,0,0]=2 495 B8R0.6 COC(=O)CCCSC CNP0313998.0 [0,1,1,0,0,0|2,0,0]=4 496 B8R0.6 COCCCC(=O)OC CNP0580088.0 [0,1,1,0,0,0|2,0,0]=4 497 B8R0.8 C=C(C)C(=O)OCCO CNP0083392.0 [0,1,1,0,0,0|1,0,1]=4 498 B8R0.8 C=CCOC(=O)C(C)C CNP0230634.0 [0,1,1,0,0,0|0,0,2]=4 499 B8R0.8 CCCCC(=O)C(=O)C CNP0125705.0 [0,1,1,0,0,0|1,0,1]=4 500 B8R0.8 CCCCC(=O)C(C)C CNP0611681.0 [0,1,1,0,0,0|1,0,0]=3 501 B8R0.8 CCCCC(=O)C(C)O CNP0255331.0 [0,1,1,0,0,0|1,0,0]=3 502 B8R0.8 CCCCC(=O)[C@H](C)O CNP0255331.1 [0,1,1,0,0,0|1,0,0]=3 503 B8R0.8 CCCCC(O)C(C)C CNP0610502.0 [0,1,1,0,0,0|1,0,1]=4 504 B8R0.8 CCCOC(=O)C(C)C CNP0084342.0 [0,1,1,0,0,0|0,0,0]=2 505 B8R0.8 C[C@@H](O)[C@@H](O)CCCO CNP0149888.3 [0,1,1,0,0,0|0,0,2]=4 506 B8R0.8 C[C@@H](O)[C@H](O)CCCO CNP0149888.1 [0,1,1,0,0,0|0,0,2]=4 507 B8R0.8 C[C@H](O)[C@@H](O)CCC=O CNP0343668.1 [0,1,1,0,0,0|0,0,0]=2 508 B8R0.8 C[C@H](O)[C@@H](O)CCCO CNP0149888.2 [0,1,1,0,0,0|0,0,2]=4 509 B8R0.9 CC(=O)OC[C@@H](O)CO CNP0178275.2 [0,1,1,0,0,0|2,0,0]=4 510 B8R0.9 CC(=O)OC[C@H](O)CO CNP0178275.1 [0,1,1,0,0,0|2,0,0]=4 511 B8R0.9 CCC(=O)CCC(=O)C CNP0351129.0 [0,1,1,0,0,0|0,0,2]=4 512 B8R0.9 CCC(=O)CCC(=O)O CNP0609090.0 [0,1,1,0,0,0|0,0,2]=4 513 B8R0.9 CCC(=O)CCC(C)C CNP0542568.0 [0,1,1,0,0,0|1,0,0]=3 514 B8R0.9 CCC(=O)CC[C@H](C)O CNP0304826.1 [0,1,1,0,0,0|1,0,0]=3 515 B8R0.9 CCC(=O)OCC(C)C CNP0246924.0 [0,1,1,0,0,0|0,0,0]=2 516 B8R0.9 CCC(C)CCC(=O)C CNP0351126.0 [0,1,1,0,0,0|1,0,0]=3 517 B8R0.9 CCC(O)C=CC(=O)O CNP0352408.0 [0,1,1,0,0,0|0,0,2]=4 518 B8R0.9 CCC(O)CCC(C)C CNP0554641.0 [0,1,1,0,0,0|1,0,1]=4 519 B8R0.9 CC[C@@H](C)COC(=O)C CNP0147650.2 [0,1,1,0,0,0|2,0,0]=4 520 B8R0.9 CC[C@@H](N)CCC(=O)O CNP0584054.1 [0,1,1,0,0,0|1,0,0]=3 521 B8R0.9 CC[C@@H](O)C=CC(=O)O CNP0352408.1 [0,1,1,0,0,0|0,0,2]=4 522 B8R0.9 CC[C@H](C)CCC(=O)O CNP0326615.1 [0,1,1,0,0,0|1,0,0]=3 523 B8R0.9 CC[C@H](C)COC(=O)C CNP0147650.1 [0,1,1,0,0,0|2,0,0]=4 524 B8R0.9 COC(=O)CCC(C)C CNP0318638.0 [0,1,1,0,0,0|2,0,0]=4 525 B8R0.9 CSC(=O)CCC(C)C CNP0017780.0 [0,1,1,0,0,0|2,0,0]=4 526 B8R0.9 NC[C@@H](N)CCC(=O)O CNP0280989.1 [0,1,1,0,0,0|2,0,0]=4 527 B8R0.9 NC[C@@H](O)CCC(=O)O CNP0204037.1 [0,1,1,0,0,0|1,0,0]=3 528 B8R0.9 NC[C@H](N)CCC(=O)O CNP0280989.2 [0,1,1,0,0,0|2,0,0]=4 529 B8R0.9 O=C(O)CC[C@H](O)CO CNP0251950.1 [0,1,1,0,0,0|1,0,0]=3 530 B8R0.11 CC=C(C=O)CCCC CNP0002855.0 [0,1,1,0,0,0|1,0,1]=4 531 B8R0.11 CCC(CO)CCNC CNP0141963.0 [0,1,1,0,0,0|2,0,0]=4 532 B8R0.11 CCCC=C(C=O)CC CNP0088815.0 [0,1,1,0,0,0|1,0,0]=3 533 B8R0.11 CCCCC(=CO)CC CNP0529227.0 [0,1,1,0,0,0|1,0,1]=4 534 B8R0.11 CCCC[C@@H](C=O)CC CNP0164543.1 [0,1,1,0,0,0|1,0,1]=4 535 B8R0.11 CCCC[C@@H](CC)CO CNP0079888.1 [0,1,1,0,0,0|1,0,1]=4 536 B8R0.11 CCCC[C@H](C=O)CC CNP0164543.2 [0,1,1,0,0,0|1,0,1]=4 537 B8R0.11 CCCC[C@H](CC)CO CNP0079888.2 [0,1,1,0,0,0|1,0,1]=4 538 B8R0.7 C=C(O)CCCCCC CNP0584840.0 [0,1,1,0,0,0|1,0,0]=3 539 B8R0.7 C=CCCCCC(=O)C CNP0179576.0 [0,1,1,0,0,0|1,0,1]=4 540 B8R0.7 CC(=O)NCCCCN CNP0279373.0 [0,1,1,0,0,0|2,0,0]=4 541 B8R0.7 CC=CCCCC(=O)C CNP0074972.0 [0,1,1,0,0,0|1,0,1]=4 542 B8R0.7 CC=CCCCC(=O)O CNP0248463.0 [0,1,1,0,0,0|0,0,1]=3 543 B8R0.7 CCC=CCCC(=O)C CNP0225225.0 [0,1,1,0,0,0|1,0,1]=4 544 B8R0.7 CCC=CCCC(=O)Cl CNP0194264.0 [0,1,1,0,0,0|1,0,1]=4 545 B8R0.7 CCC=CCCC(=O)O CNP0132792.0 [0,1,1,0,0,0|0,0,1]=3 546 B8R0.7 CCCCC=CC(=O)C CNP0125606.0 [0,1,1,0,0,0|1,0,1]=4 547 B8R0.7 CCCCC=CC(=O)O CNP0199006.0 [0,1,1,0,0,0|0,0,1]=3 548 B8R0.7 CCCCCC=C(C)C CNP0153071.0 [0,1,1,0,0,0|2,0,0]=4 549 B8R0.7 CCCCCC=C(C)O CNP0546798.0 [0,1,1,0,0,0|1,0,0]=3 550 B8R0.7 CCCCCCC(=O)C CNP0325160.0 [0,1,1,0,0,0|1,0,0]=3 551 B8R0.7 CCCCCCC(=O)Cl CNP0211048.0 [0,1,1,0,0,0|1,0,0]=3 552 B8R0.7 CCCCCCC(=O)N CNP0248097.0 [0,1,1,0,0,0|1,0,0]=3 553 B8R0.7 CCCCCCC(=O)O CNP0141686.0 [0,1,1,0,0,0|0,0,0]=2 554 B8R0.7 CCCCCC[C@@H](C)O CNP0419289.1 [0,1,1,0,0,0|1,0,1]=4 555 B8R0.7 CCCCCC[C@H](C)O CNP0419289.2 [0,1,1,0,0,0|1,0,1]=4 556 B8R0.7 CCCCCC[N+](=O)O CNP0515303.0 [0,1,1,0,0,0|1,0,0]=3 557 B8R0.7 CCCCCC[N+](=O)[O-] CNP0518178.0 [0,1,1,0,0,0|1,0,1]=4 558 B8R0.7 CCCCCOC(=O)C CNP0227990.0 [0,1,1,0,0,0|1,0,0]=3 559 B8R0.7 CCCCOCC(=O)O CNP0524848.0 [0,1,1,0,0,0|0,0,0]=2 560 B8R0.7 CCCCOCC(C)O CNP0506345.0 [0,1,1,0,0,0|1,0,1]=4 561 B8R0.7 CCCOCCC(=O)C CNP0376956.0 [0,1,1,0,0,0|1,0,0]=3 562 B8R0.7 COCCCOC(=O)C CNP0076800.0 [0,1,1,0,0,0|2,0,0]=4 563 B8R0.7 CSCCCOC(=O)C CNP0179840.0 [0,1,1,0,0,0|2,0,0]=4 564 B8R0.7 NCCCCCC(=O)O CNP0337210.0 [0,1,1,0,0,0|0,0,0]=2 565 B8R0.7 NCCCCNC(=O)N CNP0414848.0 [0,1,1,0,0,0|2,0,0]=4 566 B8R0.7 O=C(O)CCCCCO CNP0079830.0 [0,1,1,0,0,0|0,0,0]=2 567 B8R0.7 O=CCCCCC(=O)O CNP0080387.0 [0,1,1,0,0,0|0,0,1]=3 568 B8R0.28 C=C(C)CCCC(=O)C CNP0188769.0 [0,1,1,0,0,0|1,0,1]=4 569 B8R0.28 C=C(C)CCC[C@H](C)O CNP0136592.1 [0,1,1,0,0,0|2,0,0]=4 570 B8R0.28 CC(=O)CCCC(=O)C CNP0084433.0 [0,1,1,0,0,0|1,0,1]=4 571 B8R0.28 CC(=O)CCCC(=O)O CNP0456571.0 [0,1,1,0,0,0|0,0,1]=3 572 B8R0.28 CC(=O)CCCC(C)C CNP0354382.0 [0,1,1,0,0,0|1,0,0]=3 573 B8R0.28 CC(=O)NCCC(=O)O CNP0454986.0 [0,1,1,0,0,0|1,0,1]=4 574 B8R0.28 CC(=O)NCCC(C)C CNP0189958.0 [0,1,1,0,0,0|2,0,0]=4 575 B8R0.28 CC(=O)OCCC(C)C CNP0303079.0 [0,1,1,0,0,0|2,0,0]=4 576 B8R0.28 CC(=O)OCCC(C)S CNP0003245.0 [0,1,1,0,0,0|2,0,0]=4 577 B8R0.28 CC(C)C=CCC(=O)O CNP0441019.0 [0,1,1,0,0,0|0,0,2]=4 578 B8R0.28 CC(C)CCCC(=O)N CNP0540876.0 [0,1,1,0,0,0|1,0,0]=3 579 B8R0.28 CC(C)CCCC(=O)O CNP0255582.0 [0,1,1,0,0,0|0,0,0]=2 580 B8R0.28 CC(C)CCCC(=O)S CNP0536483.0 [0,1,1,0,0,0|0,1,0]=3 581 B8R0.28 CC(C)CCC[C@H](C)O CNP0182781.1 [0,1,1,0,0,0|1,0,1]=4 582 B8R0.28 CC(O)CC=CC(=O)O CNP0482180.0 [0,1,1,0,0,0|0,0,2]=4 583 B8R0.28 CN(C)CCCC(=O)O CNP0321126.0 [0,1,1,0,0,0|1,0,0]=3 584 B8R0.28 C[C@@H](O)CCCC(=O)O CNP0082052.1 [0,1,1,0,0,0|0,0,0]=2 585 B8R0.28 O=C(O)CCCC(=O)O CNP0256820.0 [0,1,1,0,0,0|1,0,1]=4 586 B8R0.22 CCCC(CC=O)SC CNP0110660.0 [0,1,1,0,0,0|2,0,0]=4 587 B8R0.22 CCOC(CC)OCC CNP0017880.0 [0,1,1,0,0,0|1,0,1]=4 588 B8R1.7 CC(=O)C1CC=CO1 CNP0077183.0 [1,1,0,0,0,0|0,0,2]=4 589 B8R1.7 CC(C)C1CCCC1 CNP0315126.0 [1,1,0,0,0,0|1,0,1]=4 590 B8R1.7 CC(C)C1OCCO1 CNP0538758.0 [1,1,0,0,0,0|1,0,1]=4 591 B8R1.7 CC(O)C1CCCC1 CNP0082077.0 [1,1,0,0,0,0|1,0,1]=4 592 B8R1.7 ClC(Cl)C1CCCO1 CNP0605989.0 [1,1,0,0,0,0|1,0,1]=4 593 B8R1.8 CCCC1CCCC1 CNP0271421.0 [1,1,0,0,0,0|1,0,1]=4 594 B8R1.8 CCCC1CCSS1 CNP0313862.0 [1,1,0,0,0,0|1,1,0]=4 595 B8R1.8 COC[C@@H]1CCCN1 CNP0414825.1 [1,1,0,0,0,0|1,0,1]=4 596 B8R1.8 NCCC1CN=CN1 CNP0562963.0 [1,1,0,0,0,0|2,0,0]=4 597 B8R1.11 CCC1CCCC1=O CNP0494839.0 [1,1,0,0,0,0|1,0,1]=4 598 B8R1.11 CC[C@@H]1CC=CC1=O CNP0060906.1 [1,1,0,0,0,0|1,0,1]=4 599 B8R1.11 CC[C@@H]1CCC[C@H]1C CNP0227551.1 [1,1,0,0,0,0|1,0,1]=4 600 B8R1.11 CC[C@H]1CC=CC1=O CNP0060906.2 [1,1,0,0,0,0|1,0,1]=4 601 B8R1.11 CC[C@H]1CCNC1=O CNP0289303.1 [1,1,0,0,0,0|2,0,0]=4 602 B8R1.52 CCC1(CCCC1)C CNP0310915.0 [1,1,0,0,0,0|1,0,1]=4 603 B8R1.52 CSC1(CC=CO1)C CNP0557096.0 [1,1,0,0,0,0|1,0,1]=4 604 B8R1.52 OC[C@]1(CCCO1)O CNP0357577.1 [1,1,0,0,0,0|1,0,1]=4 605 B8R1.18 CC1=CC(=O)CC1C CNP0529519.0 [1,1,0,0,0,0|1,0,1]=4 606 B8R1.18 CC1=C[C@@H](OC1=O)C CNP0153063.2 [1,1,0,0,0,0|0,0,2]=4 607 B8R1.18 CC1=C[C@H](OC1=O)C CNP0153063.1 [1,1,0,0,0,0|0,0,2]=4 608 B8R1.18 CC1C=C(C(=O)O1)O CNP0612035.0 [1,1,0,0,0,0|0,0,2]=4 609 B8R1.18 CC1CC(=O)OC1=O CNP0605808.0 [1,1,0,0,0,0|1,0,1]=4 610 B8R1.18 CC1CC(C(=O)O1)N CNP0391379.0 [1,1,0,0,0,0|0,0,0]=2 611 B8R1.18 CC1CN(NC1=O)C CNP0529089.0 [1,1,0,0,0,0|2,0,0]=4 612 B8R1.18 CC1OC(=O)OC1C CNP0571376.0 [1,1,0,0,0,0|1,0,0]=3 613 B8R1.18 C[C@@H]1CC(=O)O[C@@H]1O CNP0514766.1 [1,1,0,0,0,0|1,0,0]=3 614 B8R1.18 C[C@@H]1CC(=O)O[C@H]1C CNP0262923.2 [1,1,0,0,0,0|0,0,0]=2 615 B8R1.18 C[C@@H]1C[C@@H](C(=O)O1)C CNP0247990.1 [1,1,0,0,0,0|0,0,0]=2 616 B8R1.18 C[C@@H]1C[C@@H](C(=O)O1)O CNP0321716.1 [1,1,0,0,0,0|0,0,0]=2 617 B8R1.18 C[C@@H]1OC(=O)C=C1O CNP0159681.2 [1,1,0,0,0,0|0,0,2]=4 618 B8R1.18 C[C@H]1CC(=O)O[C@@H]1C CNP0262923.1 [1,1,0,0,0,0|0,0,0]=2 619 B8R1.18 C[C@H]1OC(=O)C=C1O CNP0159681.1 [1,1,0,0,0,0|0,0,2]=4 620 B8R1.18 C[C@H]1OC(=O)CC1=O CNP0358326.1 [1,1,0,0,0,0|0,0,1]=3 621 B8R1.50 CC1=C(C(=O)CC1)C CNP0395678.0 [1,1,0,0,0,0|1,0,1]=4 622 B8R1.50 CC1=C(C(=O)CC1)O CNP0301474.0 [1,1,0,0,0,0|1,0,1]=4 623 B8R1.50 CC1=C(C(CC1)C)C CNP0610113.0 [1,1,0,0,0,0|2,0,0]=4 624 B8R1.50 CC1OCC(=O)C1C CNP0086303.0 [1,1,0,0,0,0|2,0,0]=4 625 B8R1.50 C[C@@H]1COC(=O)[C@@H]1O CNP0158436.1 [1,1,0,0,0,0|2,0,0]=4 626 B8R1.50 C[C@@H]1CSC(=O)[C@H]1C CNP0371983.1 [1,1,0,0,0,0|2,0,0]=4 627 B8R1.50 C[C@H]1CCC(=O)C1=O CNP0124225.1 [1,1,0,0,0,0|1,0,0]=3 628 B8R1.51 CC1(C=CC(=O)O1)C CNP0375337.0 [1,1,0,0,0,0|0,0,2]=4 629 B8R1.51 CC1(CN=C(O1)S)C CNP0527716.0 [1,1,0,0,0,0|1,1,0]=4 630 B8R1.51 CC1(CNC(=S)O1)C CNP0263248.0 [1,1,0,0,0,0|1,1,0]=4 631 B8R1.51 CC1(COC(=O)C1)C CNP0084721.0 [1,1,0,0,0,0|2,0,0]=4 632 B8R1.31 C[C@@H](O)[C@@H]1CNC1=O CNP0044057.1 [0,1,0,0,1,0|1,0,0]=3 633 B10R1.13 C=C(C)C1CCC(=O)CC1 CNP0563054.0 [0,1,0,0,0,1|1,0,1]=4 634 B10R1.13 C=C1C=C[C@@H](CC1)C(C)C CNP0204388.2 [0,1,0,0,0,1|2,0,0]=4 635 B10R1.13 C=C1C=C[C@H](CC1)C(C)C CNP0204388.1 [0,1,0,0,0,1|2,0,0]=4 636 B10R1.13 C=C1CCC(CC1)C(C)C CNP0118012.0 [0,1,0,0,0,1|2,0,0]=4 637 B10R1.13 CC(C)C1CCC(=O)CC1 CNP0418719.0 [0,1,0,0,0,1|1,0,0]=3 638 B10R1.13 CC(C)[C@@H]1C=CC(=O)CC1 CNP0293305.1 [0,1,0,0,0,1|1,0,0]=3 639 B10R1.13 CC(C)[C@H]1C=CC(=O)CC1 CNP0293305.2 [0,1,0,0,0,1|1,0,0]=3 640 B10R1.13 CC1=CC[C@@H](CC1)C(C)C CNP0188222.2 [0,1,0,0,0,1|2,0,0]=4 641 B10R1.13 CC1=CC[C@H](CC1)C(C)C CNP0188222.1 [0,1,0,0,0,1|2,0,0]=4 642 B10R1.13 C[C@@H](O)C1CCC(=O)CC1 CNP0080675.1 [0,1,0,0,0,1|1,0,0]=3 643 B10R1.13 C[C@H](O)C1CCC(=O)CC1 CNP0080675.2 [0,1,0,0,0,1|1,0,0]=3 644 B10R1.25 CC[C@@H]1COC(=O)C[C@H]1O CNP0109096.1 [0,1,0,0,0,1|0,0,0]=2 645 B10R1.25 CC[C@H]1COC(=O)C[C@H]1O CNP0109096.2 [0,1,0,0,0,1|0,0,0]=2 646 B10R1.473 CCC1(CCC(=O)CC1)O CNP0380589.0 [0,1,0,0,0,1|1,0,0]=3 647 B10R1.473 CCC1(CNC(=CO1)O)C CNP0105405.0 [0,1,0,0,0,1|1,0,1]=4 648 B10R1.473 CCC1(CNC(=O)CO1)C CNP0130864.0 [0,1,0,0,0,1|1,0,0]=3 649 B10R1.473 CC[C@]1(CNC(=O)CO1)C CNP0130864.1 [0,1,0,0,0,1|1,0,0]=3 650 B10R1.8 CCC1=CC(=O)C[C@@H](O1)C CNP0217841.2 [0,1,0,0,0,1|1,0,1]=4 651 B10R1.8 CCC1=CC(=O)C[C@H](O1)C CNP0217841.1 [0,1,0,0,0,1|1,0,1]=4 652 B10R1.8 CC[C@@H]1CC(=O)C=C(O1)C CNP0105941.1 [0,1,0,0,0,1|1,0,1]=4 653 B10R1.10 CCC=C1CCOC(=O)C1 CNP0206629.0 [0,1,0,0,0,1|1,0,1]=4 654 B10R1.10 CCCC1CCCC(=O)O1 CNP0002778.0 [0,1,0,0,0,1|0,0,0]=2 655 B10R1.10 CCC[C@@H]1CC=CC(=O)O1 CNP0289173.2 [0,1,0,0,0,1|0,0,1]=3 656 B10R1.10 CCC[C@H]1CC=CC(=O)O1 CNP0289173.1 [0,1,0,0,0,1|0,0,1]=3 657 B10R1.10 CCNC1=CC(=O)CCC1 CNP0039050.0 [0,1,0,0,0,1|1,0,1]=4 658 B10R1.10 CCOC1=CC(=O)CCC1 CNP0056254.0 [0,1,0,0,0,1|1,0,1]=4 659 B10R1.10 CCO[C@@H]1CSCC(=O)N1 CNP0053864.1 [0,1,0,0,0,1|1,0,0]=3 660 B10R1.10 CCO[C@H]1CSCC(=O)N1 CNP0053864.2 [0,1,0,0,0,1|1,0,0]=3 661 B10R1.10 OCCC1OCCC(O1)O CNP0338052.0 [0,1,0,0,0,1|0,0,2]=4 662 B10R1.113 CC(C)C1=CC(=O)OCC1 CNP0611279.0 [0,1,0,0,0,1|1,0,1]=4 663 B10R1.14 CNC(=O)[C@H]1CCC(=O)O1 CNP0187318.1 [0,2,0,0,0,0|0,0,1]=3 664 B10R1.14 COC(=O)[C@@H]1CCC(=O)N1 CNP0373996.2 [0,2,0,0,0,0|1,0,1]=4 665 B10R1.14 COC(=O)[C@H]1CCC(=O)N1 CNP0373996.1 [0,2,0,0,0,0|1,0,1]=4 666 B10R1.16 CC/C=C\[C@@H]1CCC(=O)O1 CNP0412368.1 [0,2,0,0,0,0|0,0,0]=2 667 B10R1.16 CCCCC1COC(=O)C1 CNP0495814.0 [0,2,0,0,0,0|2,0,0]=4 668 B10R1.16 CCCC[C@@H]1CCC(=O)O1 CNP0194903.2 [0,2,0,0,0,0|0,0,0]=2 669 B10R1.16 CCCC[C@H]1CCC(=O)O1 CNP0194903.1 [0,2,0,0,0,0|0,0,0]=2 670 B10R1.16 O=C1CCC(N1)CCCO CNP0499401.0 [0,2,0,0,0,0|1,0,0]=3 671 B10R1.54 CN(C)C[C@H]1CCC(=O)O1 CNP0444471.1 [0,2,0,0,0,0|0,0,0]=2 672 B10R1.54 C[S+]([O-])CC1CCC(=S)N1 CNP0561897.0 [0,2,0,0,0,0|1,1,0]=4 673 B10R1.54 O=C(O)CC1CCC(=O)O1 CNP0554238.0 [0,2,0,0,0,0|0,0,1]=3 674 B10R1.94 CCCC1=C(C(=O)CC1)O CNP0414058.0 [0,2,0,0,0,0|1,0,1]=4 675 B10R1.94 CCCC1CCC(=O)C1=O CNP0002635.0 [0,2,0,0,0,0|1,0,0]=3 676 B10R1.34 CCC1=C(C(=O)C(C1)C)O CNP0233549.0 [0,2,0,0,0,0|1,0,1]=4 677 B10R1.34 CCC1=CC(=O)[C@H]([C@@H]1O)O CNP0196746.1 [0,2,0,0,0,0|1,0,1]=4 678 B10R1.34 CCC1CC(C(=O)C1=O)C CNP0002849.0 [0,2,0,0,0,0|1,0,0]=3 679 B10R1.34 CC[C@H]1OC(=O)C(=C1C)O CNP0147555.1 [0,2,0,0,0,0|0,0,2]=4 680 B10R1.34 NC[C@@H]1OC(=O)[C@@H]([C@H]1N)N CNP0242874.1 [0,2,0,0,0,0|1,0,0]=3 681 B10R1.34 O=C1O[C@@H]([C@@H]([C@@H]1O)O)CO CNP0149601.4 [0,2,0,0,0,0|1,0,0]=3 682 B10R1.34 O=C1O[C@@H]([C@@H]([C@H]1O)O)CO CNP0149601.5 [0,2,0,0,0,0|1,0,0]=3 683 B10R1.34 O=C1O[C@@H]([C@H]([C@@H]1O)O)CO CNP0149601.1 [0,2,0,0,0,0|1,0,0]=3 684 B10R1.34 O=C1O[C@@H]([C@H]([C@H]1O)O)CO CNP0149601.3 [0,2,0,0,0,0|1,0,0]=3 685 B10R1.34 O=C1O[C@H]([C@H]([C@H]1O)O)CO CNP0149601.2 [0,2,0,0,0,0|1,0,0]=3 686 B10R1.59 CC(O)C1=CC(=O)CC1O CNP0170982.0 [0,2,0,0,0,0|1,0,1]=4 687 B10R1.256 CCC1=C(C(=O)C[C@@H]1C)O CNP0105899.1 [0,2,0,0,0,0|1,0,1]=4 688 B10R1.58 CC(C)[C@@H]1C=C(C(=O)O1)N CNP0526370.1 [0,2,0,0,0,0|0,0,2]=4 689 B10R1.55 CC(C)(C)[C@H]1COC(=O)N1 CNP0274649.1 [0,2,0,0,0,0|2,0,0]=4 690 B10R1.55 C[C@H]1CC[C@@H](O1)C(C)(C)O CNP0273829.1 [0,2,0,0,0,0|1,0,1]=4 691 B10R1.194 CC(C)C1=C(C(=O)CC1)O CNP0240398.0 [0,2,0,0,0,0|1,0,1]=4 692 B10R1.194 CC(C)C1CCC(=O)C1=O CNP0002623.0 [0,2,0,0,0,0|1,0,0]=3 693 B10R1.194 C[C@@H](O)C1=C(C(=O)CC1)Cl CNP0370769.2 [0,2,0,0,0,0|1,0,1]=4 694 B10R1.194 C[C@H](O)C1=C(C(=O)CC1)Cl CNP0370769.1 [0,2,0,0,0,0|1,0,1]=4 695 B10R1.470 O=C1CCC(O1)(O)C(=O)O CNP0581188.0 [0,2,0,0,0,0|1,0,1]=4 696 B10R1.236 CC[C@]1(COC(=O)[C@H]1O)C CNP0168013.1 [0,2,0,0,0,0|2,0,0]=4 697 B10R1.237 CCC1(CC=C(O1)O)C=O CNP0577788.0 [0,2,0,0,0,0|0,0,2]=4 698 B8R1.4 CC1=CC(=O)CCC1 CNP0209762.0 [0,0,1,1,0,0|1,0,1]=4 699 B8R1.4 CC1=CC(CCC1)C CNP0085833.0 [0,0,1,1,0,0|2,0,0]=4 700 B8R1.4 CC1=CCC[C@H](O1)C CNP0262118.1 [0,0,1,1,0,0|1,0,0]=3 701 B8R1.4 CC1CCOC(=O)C1 CNP0282964.0 [0,0,1,1,0,0|2,0,0]=4 702 B8R1.4 C[C@@H]1CC=CC(=O)O1 CNP0386711.2 [0,0,1,1,0,0|0,0,2]=4 703 B8R1.4 C[C@@H]1CCCC(=O)C1 CNP0243495.2 [0,0,1,1,0,0|1,0,0]=3 704 B8R1.4 C[C@@H]1CCCC(=O)O1 CNP0340427.1 [0,0,1,1,0,0|0,0,0]=2 705 B8R1.4 C[C@H]1CC=CC(=O)O1 CNP0386711.1 [0,0,1,1,0,0|0,0,2]=4 706 B8R1.4 C[C@H]1CCCC(=O)C1 CNP0243495.1 [0,0,1,1,0,0|1,0,0]=3 707 B8R1.4 C[C@H]1CCCC(=O)O1 CNP0340427.2 [0,0,1,1,0,0|0,0,0]=2 708 B8R1.4 C[C@H]1CCNC(=S)O1 CNP0313391.1 [0,0,1,1,0,0|1,1,0]=4 709 B8R1.4 C[C@H]1OCC[C@@H](O1)C CNP0515975.1 [0,0,1,1,0,0|0,0,2]=4 710 B8R1.4 O=C1CCCC(=O)O1 CNP0609625.0 [0,0,1,1,0,0|1,0,1]=4 711 B8R1.43 CCC1OC1C(=O)C CNP0555842.0 [0,0,1,1,0,0|2,0,0]=4 712 B8R1.2 CCC1=CCCCC1 CNP0080676.0 [0,0,1,1,0,0|2,0,0]=4 713 B8R1.2 CC[C@@H]1CCCCO1 CNP0273678.2 [0,0,1,1,0,0|1,0,1]=4 714 B8R1.2 CC[C@H]1CCCCO1 CNP0273678.1 [0,0,1,1,0,0|1,0,1]=4 715 B8R1.3 CC1CCC(=O)CC1 CNP0165916.0 [0,0,1,1,0,0|1,0,0]=3 716 B8R1.3 CC1CCC(=O)CO1 CNP0611860.0 [0,0,1,1,0,0|2,0,0]=4 717 B8R1.3 CN1CCC(=O)CC1 CNP0180189.0 [0,0,1,1,0,0|2,0,0]=4 718 B8R1.3 C[C@H]1CC[C@@H](CC1)O CNP0179489.1 [0,0,1,1,0,0|1,0,1]=4 719 B8R1.3 O=C1CCC(=O)CC1 CNP0521419.0 [0,0,1,1,0,0|0,0,2]=4 720 B8R1.3 O=C1CCC(=O)OC1 CNP0357956.0 [0,0,1,1,0,0|1,0,1]=4 721 B8R1.5 C=C1CCCCC1C CNP0595985.0 [0,0,1,1,0,0|2,0,0]=4 722 B8R1.5 CC1CCCC=C1Cl CNP0566805.0 [0,0,1,1,0,0|2,0,0]=4 723 B8R1.5 CC1CCCCC1=O CNP0003363.0 [0,0,1,1,0,0|1,0,0]=3 724 B8R1.5 CC1CCCCC1O CNP0610101.0 [0,0,1,1,0,0|1,0,1]=4 725 B8R1.5 CC1CCCOC1=O CNP0340524.0 [0,0,1,1,0,0|0,0,0]=2 726 B8R1.5 N[C@@H]1CCCNC1=O CNP0274946.1 [0,0,1,1,0,0|2,0,0]=4 727 B8R1.5 O=C1CCCCC1O CNP0610127.0 [0,0,1,1,0,0|2,0,0]=4 728 B8R1.22 NC1=NCCCCC1 CNP0446960.0 [0,0,1,1,0,0|2,0,0]=4 729 B8R1.22 NC1=[NH+]CCCCC1 CNP0594018.0 [0,0,1,1,0,0|2,0,0]=4 730 B8R1.22 O=C1CCCCCC1 CNP0486939.0 [0,0,1,1,0,0|1,0,0]=3 731 B8R1.22 O=C1CCCCCN1 CNP0157959.0 [0,0,1,1,0,0|1,0,0]=3 732 B8R1.22 O=C1CCCCCO1 CNP0358428.0 [0,0,1,1,0,0|0,0,0]=2 733 B8R1.22 O=C1NCCCCN1 CNP0433632.0 [0,0,1,1,0,0|2,0,0]=4 734 B8R1.22 OC1=NCCCCC1 CNP0523769.0 [0,0,1,1,0,0|1,0,1]=4 735 B8R1.19 CC1CCCS1(=O)=O CNP0560961.0 [0,0,1,1,0,0|1,0,1]=4 736 B8R1.72 CC1(CCCCC1)O CNP0084309.0 [0,0,1,1,0,0|1,0,1]=4 737 B8R2.34 C1CC2OCC1O2 CNP0611976.0 [1,0,0,1,0,0|1,0,1]=4 738 B10R2.2 O=C1C=C2CCCC2C1 CNP0500354.0 [0,1,0,1,0,0|1,0,1]=4 739 B10R2.32 O=C1CCC2N1CCC2 CNP0336616.0 [0,1,0,1,0,0|1,0,0]=3 740 B10R2.25 CC1=C([C@H]2CC[C@@H]1C2)C CNP0320008.1 [0,1,0,1,0,0|2,0,0]=4 741 B6R0.3 C=C(C)[C@H](C)CC CNP0076705.1 [0,0,1,0,1,0|1,0,0]=3 742 B6R0.3 CC(=O)C(C)C#N CNP0503071.0 [0,0,1,0,1,0|1,0,1]=4 743 B6R0.3 CC=C(C)C(=O)C CNP0119709.0 [0,0,1,0,1,0|0,0,2]=4 744 B6R0.3 CCC(=C(C)C)C CNP0076862.0 [0,0,1,0,1,0|1,0,1]=4 745 B6R0.3 CCC(=O)C(=O)C CNP0311036.0 [0,0,1,0,1,0|1,0,1]=4 746 B6R0.3 CCC(O)C(=O)C CNP0413470.0 [0,0,1,0,1,0|1,0,0]=3 747 B6R0.3 CCC(S)C(=O)C CNP0064467.0 [0,0,1,0,1,0|1,0,0]=3 748 B6R0.3 CC[C@@H](C)C(=O)C CNP0151175.1 [0,0,1,0,1,0|0,0,0]=2 749 B6R0.3 CC[C@@H](C)C(=O)Cl CNP0146254.2 [0,0,1,0,1,0|1,0,0]=3 750 B6R0.3 CC[C@@H](C)C(=O)N CNP0157695.1 [0,0,1,0,1,0|1,0,0]=3 751 B6R0.3 CC[C@@H](C)C(=O)O CNP0187792.1 [0,0,1,0,1,0|1,0,0]=3 752 B6R0.3 CC[C@@H](C)[C@@H](C)O CNP0061619.1 [0,0,1,0,1,0|0,0,2]=4 753 B6R0.3 CC[C@@H](N)C(=O)O CNP0243222.1 [0,0,1,0,1,0|2,0,0]=4 754 B6R0.3 CC[C@@H](O)C(=O)C CNP0413470.1 [0,0,1,0,1,0|1,0,0]=3 755 B6R0.3 CC[C@@H](O)C(=O)O CNP0162708.1 [0,0,1,0,1,0|2,0,0]=4 756 B6R0.3 CC[C@H](C)C(=O)C CNP0151175.2 [0,0,1,0,1,0|0,0,0]=2 757 B6R0.3 CC[C@H](C)C(=O)Cl CNP0146254.1 [0,0,1,0,1,0|1,0,0]=3 758 B6R0.3 CC[C@H](C)C(=O)N CNP0157695.2 [0,0,1,0,1,0|1,0,0]=3 759 B6R0.3 CC[C@H](C)C(=O)O CNP0187792.2 [0,0,1,0,1,0|1,0,0]=3 760 B6R0.3 CC[C@H](C)C(C)C CNP0304167.1 [0,0,1,0,1,0|1,0,1]=4 761 B6R0.3 CC[C@H](C)[C@@H](C)O CNP0061619.2 [0,0,1,0,1,0|0,0,2]=4 762 B6R0.3 CC[C@H](N)C(=O)O CNP0243222.3 [0,0,1,0,1,0|2,0,0]=4 763 B6R0.3 CC[C@H](O)C(=O)O CNP0162708.2 [0,0,1,0,1,0|2,0,0]=4 764 B6R0.3 CN[C@@H](C)C(=O)O CNP0126063.1 [0,0,1,0,1,0|2,0,0]=4 765 B6R0.3 CN[C@H](C)C(=O)O CNP0126063.2 [0,0,1,0,1,0|2,0,0]=4 766 B6R0.3 CO[C@@H](C)C(=O)C CNP0325332.1 [0,0,1,0,1,0|1,0,0]=3 767 B6R0.3 CSC(C)C(=O)C CNP0075921.0 [0,0,1,0,1,0|1,0,0]=3 768 B6R0.3 C[C@@H](CN)C(=O)O CNP0291505.1 [0,0,1,0,1,0|2,0,0]=4 769 B6R0.3 C[C@@H](CO)C(=O)O CNP0257203.1 [0,0,1,0,1,0|2,0,0]=4 770 B6R0.3 C[C@H](CN)C(=O)O CNP0291505.2 [0,0,1,0,1,0|2,0,0]=4 771 B6R0.3 C[C@H](CO)C(=O)O CNP0257203.2 [0,0,1,0,1,0|2,0,0]=4 772 B6R1.6 OCC1C=CC1 CNP0202846.0 [1,0,0,0,1,0|1,0,1]=4 773 B6R1.4 C[C@@H]1CCC1=O CNP0253900.1 [1,0,0,0,1,0|0,0,0]=2 774 B6R1.5 C[C@H]1CC(=O)O1 CNP0232064.1 [1,0,0,0,1,0|0,0,0]=2 775 B6R1.5 O=C1C[C@@H](O1)O CNP0300715.1 [1,0,0,0,1,0|1,0,0]=3 776 B6R1.8 CC[C@@H]1C[C@@H]1C CNP0076250.1 [0,0,0,0,2,0|1,0,1]=4 777 B6R1.8 O=C1CC1CO CNP0073765.0 [0,0,0,0,2,0|1,0,0]=3 778 B10R1.197 CN[C@H]1CCCC(=O)CC1 CNP0227098.1 [0,0,0,0,0,2|2,0,0]=4 779 B10R1.162 CN[C@@H]1CCCCC(=O)C1 CNP0162632.1 [0,0,0,0,0,2|2,0,0]=4 780 B10R1.162 CN[C@H]1CCCCC(=O)C1 CNP0162632.2 [0,0,0,0,0,2|2,0,0]=4