0 B9R1.7 C=CC[C@H]1CN=C(O1)S CNP0609282.1 [0,0,0,0,0,0|1,1,2]=4 1 B9R1.7 C=CC[C@H]1CNC(=S)O1 CNP0146659.1 [0,0,0,0,0,0|1,1,2]=4 2 B9R1.7 CCCC1=CC(=O)CC1 CNP0248705.0 [0,0,0,0,0,0|1,0,1]=2 3 B9R1.7 CCCC1=CN=C(O1)C CNP0059425.0 [0,0,0,0,0,0|2,0,2]=4 4 B9R1.7 CCCC1=NC=C(O1)C CNP0183724.0 [0,0,0,0,0,0|2,0,2]=4 5 B9R1.7 CCC[C@H]1CCC(=O)O1 CNP0172695.1 [0,0,0,0,0,0|0,0,0]=0 6 B9R1.7 CCC[C@H]1CC[C@H](C1)C CNP0173723.1 [0,0,0,0,0,0|2,0,1]=3 7 B9R1.7 CCOC1C=CC(=O)N1 CNP0590383.0 [0,0,0,0,0,0|2,0,2]=4 8 B9R1.7 CCO[C@H]1CCC(=O)O1 CNP0310487.1 [0,0,0,0,0,0|1,0,0]=1 9 B9R1.7 CNC[C@H]1CCC(=O)O1 CNP0475322.1 [0,0,0,0,0,0|1,0,0]=1 10 B9R1.7 NCCN1C=CC(=O)O1 CNP0169742.0 [0,0,0,0,0,0|2,0,2]=4 11 B8R1.1 CC1CCC(O1)CO CNP0511633.0 [1,0,0,0,0,0|2,0,1]=4 12 B8R1.1 CCC1=CC(=O)CC1 CNP0307278.0 [1,0,0,0,0,0|1,0,1]=3 13 B8R1.1 CCC1=CCC(=O)O1 CNP0001516.0 [1,0,0,0,0,0|0,0,2]=3 14 B8R1.1 CCC1CCC(O1)C CNP0586635.0 [1,0,0,0,0,0|1,0,1]=3 15 B8R1.1 CC[C@@H]1C=CC(=O)O1 CNP0332158.1 [1,0,0,0,0,0|0,0,2]=3 16 B8R1.1 CC[C@@H]1CCC(=O)O1 CNP0276218.2 [1,0,0,0,0,0|0,0,0]=1 17 B8R1.1 CC[C@@H]1CC[C@@H](C1)C CNP0136815.1 [1,0,0,0,0,0|2,0,1]=4 18 B8R1.1 CC[C@@H]1CC[C@H](C1)C CNP0136815.2 [1,0,0,0,0,0|2,0,1]=4 19 B8R1.1 CC[C@@H]1COC(=S)N1 CNP0247188.2 [1,0,0,0,0,0|2,1,0]=4 20 B8R1.1 CC[C@H]1CCC(=O)O1 CNP0276218.1 [1,0,0,0,0,0|0,0,0]=1 21 B8R1.1 CC[C@H]1COC(=O)C1 CNP0207946.1 [1,0,0,0,0,0|2,0,0]=3 22 B8R1.1 CC[C@H]1COC(=S)N1 CNP0247188.1 [1,0,0,0,0,0|2,1,0]=4 23 B8R1.1 CO[C@@H]1CCC(=N1)O CNP0574433.1 [1,0,0,0,0,0|2,0,1]=4 24 B8R1.1 CO[C@@H]1CCC(=O)N1 CNP0302885.1 [1,0,0,0,0,0|2,0,0]=3 25 B8R1.1 CO[C@@H]1COC(=O)C1 CNP0018508.1 [1,0,0,0,0,0|3,0,0]=4 26 B8R1.1 NC[C@H]1CCC(=O)O1 CNP0474294.1 [1,0,0,0,0,0|1,0,0]=2 27 B8R1.1 O=C1C=C[C@H](O1)CO CNP0279402.1 [1,0,0,0,0,0|1,0,2]=4 28 B8R1.1 O=C1CC[C@@H](C1)CO CNP0540442.1 [1,0,0,0,0,0|2,0,0]=3 29 B8R1.1 O=C1CC[C@@H](N1)CBr CNP0024090.1 [1,0,0,0,0,0|2,0,0]=3 30 B8R1.1 O=C1CC[C@@H](O1)CBr CNP0033303.1 [1,0,0,0,0,0|1,0,0]=2 31 B8R1.1 O=C1CC[C@@H](O1)CO CNP0117294.2 [1,0,0,0,0,0|1,0,0]=2 32 B8R1.1 O=C1CC[C@H](O1)CO CNP0117294.1 [1,0,0,0,0,0|1,0,0]=2 33 B8R1.8 CCCC1=CC=CO1 CNP0301120.0 [1,0,0,0,0,0|0,0,3]=4 34 B8R1.8 CCCC1CCCC1 CNP0271421.0 [1,0,0,0,0,0|1,0,1]=3 35 B8R1.8 CCCC1CCSS1 CNP0313862.0 [1,0,0,0,0,0|1,1,0]=3 36 B8R1.8 CCCC1NCCS1 CNP0002551.0 [1,0,0,0,0,0|1,1,1]=4 37 B8R1.8 CCCN1OCCO1 CNP0257167.0 [1,0,0,0,0,0|2,0,1]=4 38 B8R1.8 COC[C@@H]1CCCN1 CNP0414825.1 [1,0,0,0,0,0|2,0,1]=4 39 B8R1.8 NCCC1CN=CN1 CNP0562963.0 [1,0,0,0,0,0|3,0,0]=4 40 B10R1.14 CNC(=O)[C@H]1CCC(=O)O1 CNP0187318.1 [0,1,0,0,0,0|1,0,1]=3 41 B10R1.14 COC(=O)[C@@H]1CCC(=O)N1 CNP0373996.2 [0,1,0,0,0,0|2,0,1]=4 42 B10R1.14 COC(=O)[C@H]1CCC(=O)N1 CNP0373996.1 [0,1,0,0,0,0|2,0,1]=4 43 B10R1.16 CC/C=C\[C@@H]1CCC(=O)O1 CNP0412368.1 [0,1,0,0,0,0|0,0,1]=2 44 B10R1.16 CCCCC1COC(=O)C1 CNP0495814.0 [0,1,0,0,0,0|2,0,0]=3 45 B10R1.16 CCCC[C@@H]1CCC(=O)O1 CNP0194903.2 [0,1,0,0,0,0|0,0,0]=1 46 B10R1.16 CCCC[C@H]1CCC(=O)O1 CNP0194903.1 [0,1,0,0,0,0|0,0,0]=1 47 B10R1.16 CCCC[C@H]1CC[S@@+](C1)[O-] CNP0481007.1 [0,1,0,0,0,0|2,0,1]=4 48 B10R1.16 O=C1CCC(N1)CCCO CNP0499401.0 [0,1,0,0,0,0|1,0,0]=2 49 B10R1.54 CN(C)C[C@H]1CCC(=O)O1 CNP0444471.1 [0,1,0,0,0,0|1,0,0]=2 50 B10R1.54 C[S+]([O-])CC1CCC(=S)N1 CNP0561897.0 [0,1,0,0,0,0|2,1,0]=4 51 B10R1.54 O=C(O)CC1CCC(=O)O1 CNP0554238.0 [0,1,0,0,0,0|1,0,1]=3 52 B10R1.94 CCCC1=C(C(=O)CC1)O CNP0414058.0 [0,1,0,0,0,0|1,0,1]=3 53 B10R1.94 CCCC1CCC(=O)C1=O CNP0002635.0 [0,1,0,0,0,0|1,0,0]=2 54 B8R0.1 C=CCC[C@@H](O)CCC CNP0196626.2 [0,0,1,0,0,0|1,0,0]=2 55 B8R0.1 C=CCC[C@H](O)CCC CNP0196626.1 [0,0,1,0,0,0|1,0,0]=2 56 B8R0.1 CC=CCC(O)CCC CNP0497599.0 [0,0,1,0,0,0|1,0,1]=3 57 B8R0.1 CCCC(S)CCOC CNP0309037.0 [0,0,1,0,0,0|2,1,0]=4 58 B8R0.1 CCCC[C@H](C)CCC CNP0319238.1 [0,0,1,0,0,0|2,0,1]=4 59 B8R0.1 CCCC[C@H](O)CCC CNP0195357.1 [0,0,1,0,0,0|1,0,1]=3 60 B8R0.1 CCC[C@@H](C)CCCO CNP0421179.1 [0,0,1,0,0,0|1,0,2]=4 61 B8R0.1 CCOC(=O)CCC=O CNP0576338.0 [0,0,1,0,0,0|1,0,2]=4 62 B8R0.5 C=C(C)CC(C)CCC CNP0397067.0 [0,0,1,0,0,0|2,0,0]=3 63 B8R0.5 CCCC(=CC(=O)C)C CNP0608479.0 [0,0,1,0,0,0|1,0,1]=3 64 B8R0.5 CCCC(=CC(=O)O)C CNP0329572.0 [0,0,1,0,0,0|2,0,1]=4 65 B8R0.5 CCCC(=O)CC(=O)C CNP0351307.0 [0,0,1,0,0,0|2,0,1]=4 66 B8R0.5 CCCC(C)CC(=O)C CNP0612236.0 [0,0,1,0,0,0|1,0,0]=2 67 B8R0.5 CCCC(C)CC(C)C CNP0086425.0 [0,0,1,0,0,0|2,0,1]=4 68 B8R0.5 CCCC(C)CC(C)O CNP0100557.0 [0,0,1,0,0,0|1,0,2]=4 69 B8R0.5 CCC[C@@H](O)CC(=O)O CNP0065850.1 [0,0,1,0,0,0|3,0,0]=4 70 B8R0.5 CCC[C@H](C)CC(=O)O CNP0320012.1 [0,0,1,0,0,0|2,0,0]=3 71 B8R0.5 CCC[C@H](C)OC(=O)C CNP0140745.1 [0,0,1,0,0,0|0,0,0]=1 72 B8R0.5 CCC[C@H](O)CC(=O)O CNP0065850.2 [0,0,1,0,0,0|3,0,0]=4 73 B8R0.5 COCC(C)OC(=O)C CNP0077230.0 [0,0,1,0,0,0|1,0,0]=2 74 B8R0.6 C=CC(=O)CCCCC CNP0297364.0 [0,0,1,0,0,0|1,0,2]=4 75 B8R0.6 C=CC(=O)OCCCC CNP0191898.0 [0,0,1,0,0,0|0,0,2]=3 76 B8R0.6 CC=C(O)CCCCC CNP0174345.0 [0,0,1,0,0,0|1,0,2]=4 77 B8R0.6 CCC(C)OCCCO CNP0593328.0 [0,0,1,0,0,0|2,0,1]=4 78 B8R0.6 CCCC=CC(=O)CC CNP0017905.0 [0,0,1,0,0,0|1,0,1]=3 79 B8R0.6 CCCC=CC(=O)OC CNP0385542.0 [0,0,1,0,0,0|2,0,1]=4 80 B8R0.6 CCCCCC(=O)CC CNP0381627.0 [0,0,1,0,0,0|1,0,0]=2 81 B8R0.6 CCCCCC(=O)CO CNP0546319.0 [0,0,1,0,0,0|2,0,0]=3 82 B8R0.6 CCCCCC(=O)OC CNP0192346.0 [0,0,1,0,0,0|2,0,0]=3 83 B8R0.6 CCCCCC(=O)SC CNP0018085.0 [0,0,1,0,0,0|2,0,0]=3 84 B8R0.6 CCCCC[C@@H](O)CC CNP0204116.1 [0,0,1,0,0,0|1,0,2]=4 85 B8R0.6 CCCCC[C@H](C)CC CNP0121781.1 [0,0,1,0,0,0|2,0,1]=4 86 B8R0.6 CCCCC[C@H](O)CC CNP0204116.2 [0,0,1,0,0,0|1,0,2]=4 87 B8R0.6 CCCCOC(=O)CC CNP0139208.0 [0,0,1,0,0,0|0,0,0]=1 88 B8R0.6 CCCCO[C@H](C)OC CNP0139681.1 [0,0,1,0,0,0|2,0,1]=4 89 B8R0.6 COC(=O)CCCSC CNP0313998.0 [0,0,1,0,0,0|3,0,0]=4 90 B8R0.6 COCCCC(=O)OC CNP0580088.0 [0,0,1,0,0,0|3,0,0]=4 91 B8R0.7 C=C(O)CCCCCC CNP0584840.0 [0,0,1,0,0,0|1,0,0]=2 92 B8R0.7 C=CCCCCC(=O)C CNP0179576.0 [0,0,1,0,0,0|1,0,2]=4 93 B8R0.7 CC(=O)NCCCCN CNP0279373.0 [0,0,1,0,0,0|3,0,0]=4 94 B8R0.7 CC=CCCCC(=O)C CNP0074972.0 [0,0,1,0,0,0|1,0,2]=4 95 B8R0.7 CC=CCCCC(=O)O CNP0248463.0 [0,0,1,0,0,0|0,0,2]=3 96 B8R0.7 CCC=CCCC(=O)C CNP0225225.0 [0,0,1,0,0,0|1,0,2]=4 97 B8R0.7 CCC=CCCC(=O)Cl CNP0194264.0 [0,0,1,0,0,0|1,0,2]=4 98 B8R0.7 CCC=CCCC(=O)O CNP0132792.0 [0,0,1,0,0,0|0,0,2]=3 99 B8R0.7 CCCCC=CC(=O)C CNP0125606.0 [0,0,1,0,0,0|1,0,2]=4 100 B8R0.7 CCCCC=CC(=O)O CNP0199006.0 [0,0,1,0,0,0|0,0,2]=3 101 B8R0.7 CCCCCC=C(C)C CNP0153071.0 [0,0,1,0,0,0|2,0,1]=4 102 B8R0.7 CCCCCC=C(C)O CNP0546798.0 [0,0,1,0,0,0|1,0,1]=3 103 B8R0.7 CCCCCCC(=O)C CNP0325160.0 [0,0,1,0,0,0|1,0,0]=2 104 B8R0.7 CCCCCCC(=O)Cl CNP0211048.0 [0,0,1,0,0,0|1,0,0]=2 105 B8R0.7 CCCCCCC(=O)N CNP0248097.0 [0,0,1,0,0,0|1,0,0]=2 106 B8R0.7 CCCCCCC(=O)O CNP0141686.0 [0,0,1,0,0,0|0,0,0]=1 107 B8R0.7 CCCCCCC(C)C CNP0161146.0 [0,0,1,0,0,0|2,0,1]=4 108 B8R0.7 CCCCCC[C@@H](C)Cl CNP0248103.2 [0,0,1,0,0,0|2,0,1]=4 109 B8R0.7 CCCCCC[C@@H](C)O CNP0419289.1 [0,0,1,0,0,0|1,0,1]=3 110 B8R0.7 CCCCCC[C@H](C)Cl CNP0248103.1 [0,0,1,0,0,0|2,0,1]=4 111 B8R0.7 CCCCCC[C@H](C)O CNP0419289.2 [0,0,1,0,0,0|1,0,1]=3 112 B8R0.7 CCCCCC[N+](=O)O CNP0515303.0 [0,0,1,0,0,0|1,0,0]=2 113 B8R0.7 CCCCCC[N+](=O)[O-] CNP0518178.0 [0,0,1,0,0,0|1,0,1]=3 114 B8R0.7 CCCCCOC(=O)C CNP0227990.0 [0,0,1,0,0,0|2,0,0]=3 115 B8R0.7 CCCCOCC(=O)O CNP0524848.0 [0,0,1,0,0,0|1,0,0]=2 116 B8R0.7 CCCCOCC(C)O CNP0506345.0 [0,0,1,0,0,0|2,0,1]=4 117 B8R0.7 CCCOCCC(=O)C CNP0376956.0 [0,0,1,0,0,0|2,0,0]=3 118 B8R0.7 COCCCOC(=O)C CNP0076800.0 [0,0,1,0,0,0|3,0,0]=4 119 B8R0.7 CSCCCOC(=O)C CNP0179840.0 [0,0,1,0,0,0|3,0,0]=4 120 B8R0.7 NCCCCCC(=O)O CNP0337210.0 [0,0,1,0,0,0|1,0,0]=2 121 B8R0.7 NCCCCNC(=O)N CNP0414848.0 [0,0,1,0,0,0|3,0,0]=4 122 B8R0.7 O=C(O)CCCCCO CNP0079830.0 [0,0,1,0,0,0|1,0,0]=2 123 B8R0.7 O=CCCCCC(=O)O CNP0080387.0 [0,0,1,0,0,0|1,0,1]=3 124 B8R0.22 CCCC(CC=O)SC CNP0110660.0 [0,0,1,0,0,0|2,0,0]=3 125 B8R0.22 CCOC(CC)OCC CNP0017880.0 [0,0,1,0,0,0|2,0,1]=4 126 B10R2.2 O=C1C=C2CCCC2C1 CNP0500354.0 [0,0,0,1,0,0|1,0,1]=3 127 B10R2.32 C=C1CCN2[C@H]1CCC2 CNP0287271.1 [0,0,0,1,0,0|3,0,0]=4 128 B10R2.32 O=C1C=C[C@@H]2N1CCC2 CNP0161013.1 [0,0,0,1,0,0|1,0,2]=4 129 B10R2.32 O=C1C=C[C@H]2N1CCC2 CNP0161013.2 [0,0,0,1,0,0|1,0,2]=4 130 B10R2.32 O=C1CCC2N1CCC2 CNP0336616.0 [0,0,0,1,0,0|1,0,0]=2 131 B10R1.1 CCC[C@@H]1CC[C@@H](CN1)O CNP0303716.2 [0,0,0,0,0,1|1,0,2]=4 132 B10R1.1 CCC[C@H]1CC[C@@H](CC1)O CNP0314418.1 [0,0,0,0,0,1|1,0,2]=4 133 B10R1.1 CCC[C@H]1CC[C@@H](CN1)O CNP0303716.1 [0,0,0,0,0,1|1,0,2]=4 134 B10R1.10 CCC=C1CCOC(=O)C1 CNP0206629.0 [0,0,0,0,0,1|1,0,2]=4 135 B10R1.10 CCCC1=CC=CC(=O)O1 CNP0334569.0 [0,0,0,0,0,1|0,0,3]=4 136 B10R1.10 CCCC1CCCC(=O)O1 CNP0002778.0 [0,0,0,0,0,1|0,0,0]=1 137 B10R1.10 CCC[C@@H]1CC=CC(=O)O1 CNP0289173.2 [0,0,0,0,0,1|0,0,1]=2 138 B10R1.10 CCC[C@@H]1CCC[C@@H](N1)C CNP0243950.3 [0,0,0,0,0,1|2,0,1]=4 139 B10R1.10 CCC[C@@H]1CCC[C@H](N1)C CNP0243950.4 [0,0,0,0,0,1|2,0,1]=4 140 B10R1.10 CCC[C@@H]1CCO[C@@H](S1)C CNP0106834.1 [0,0,0,0,0,1|1,1,1]=4 141 B10R1.10 CCC[C@H]1CC=CC(=O)O1 CNP0289173.1 [0,0,0,0,0,1|0,0,1]=2 142 B10R1.10 CCC[C@H]1CCC[C@@H](N1)C CNP0243950.2 [0,0,0,0,0,1|2,0,1]=4 143 B10R1.10 CCC[C@H]1CCC[C@H](N1)C CNP0243950.1 [0,0,0,0,0,1|2,0,1]=4 144 B10R1.10 CCC[C@H]1CCO[C@H](S1)C CNP0106834.2 [0,0,0,0,0,1|1,1,1]=4 145 B10R1.10 CCNC1=CC(=O)CCC1 CNP0039050.0 [0,0,0,0,0,1|2,0,1]=4 146 B10R1.10 CCOC1=CC(=O)CCC1 CNP0056254.0 [0,0,0,0,0,1|2,0,1]=4 147 B10R1.10 CCO[C@@H]1CSCC(=O)N1 CNP0053864.1 [0,0,0,0,0,1|2,0,0]=3 148 B10R1.10 CCO[C@H]1CSCC(=O)N1 CNP0053864.2 [0,0,0,0,0,1|2,0,0]=3 149 B10R1.10 OCCC1OCCC(O1)O CNP0338052.0 [0,0,0,0,0,1|1,0,2]=4 150 B7R0.1 C=CCCCCCC CNP0246919.0 [1,0,1,0,0,0|1,0,0]=3 151 B7R0.1 C=CCCCCCO CNP0075956.0 [1,0,1,0,0,0|2,0,0]=4 152 B7R0.1 CC=CCCCCC CNP0199237.0 [1,0,1,0,0,0|1,0,1]=4 153 B7R0.1 CCC#CCCCC CNP0602501.0 [1,0,1,0,0,0|1,0,1]=4 154 B7R0.1 CCC=CCCC=O CNP0265888.0 [1,0,1,0,0,0|0,0,2]=4 155 B7R0.1 CCC=CCCCC CNP0084702.0 [1,0,1,0,0,0|1,0,0]=3 156 B7R0.1 CCC=CCCCO CNP0003503.0 [1,0,1,0,0,0|2,0,0]=4 157 B7R0.1 CCCC=CCC=O CNP0201799.0 [1,0,1,0,0,0|0,0,2]=4 158 B7R0.1 CCCCC=CC=O CNP0210810.0 [1,0,1,0,0,0|0,0,2]=4 159 B7R0.1 CCCCC=CCO CNP0191159.0 [1,0,1,0,0,0|2,0,0]=4 160 B7R0.1 CCCCCCC#N CNP0186663.0 [1,0,1,0,0,0|1,0,1]=4 161 B7R0.1 CCCCCCC=O CNP0243745.0 [1,0,1,0,0,0|0,0,0]=2 162 B7R0.1 CCCCCCCC CNP0286567.0 [1,0,1,0,0,0|1,0,1]=4 163 B7R0.1 CCCCCCCN CNP0186919.0 [1,0,1,0,0,0|1,0,1]=4 164 B7R0.1 CCCCCCCO CNP0329737.0 [1,0,1,0,0,0|0,0,1]=3 165 B7R0.1 CCCCCCNC CNP0413437.0 [1,0,1,0,0,0|2,0,0]=4 166 B7R0.1 CCCCCOC=O CNP0294368.0 [1,0,1,0,0,0|1,0,0]=3 167 B7R0.1 CCCCCOCC CNP0520137.0 [1,0,1,0,0,0|2,0,0]=4 168 B7R0.1 CCCCCON=O CNP0511882.0 [1,0,1,0,0,0|2,0,0]=4 169 B7R0.1 CCCCNCCO CNP0185911.0 [1,0,1,0,0,0|1,0,1]=4 170 B7R0.1 CCCCOCCO CNP0080154.0 [1,0,1,0,0,0|1,0,1]=4 171 B7R0.1 NCCCCCCO CNP0568466.0 [1,0,1,0,0,0|1,0,1]=4 172 B7R0.1 NCCCCCNO CNP0455910.0 [1,0,1,0,0,0|2,0,0]=4 173 B7R0.1 OCCCCCCBr CNP0593386.0 [1,0,1,0,0,0|1,0,1]=4 174 B7R0.1 OCCCCCCO CNP0080019.0 [1,0,1,0,0,0|1,0,1]=4 175 B7R0.1 OCCCCCCS CNP0154751.0 [1,0,1,0,0,0|1,0,1]=4 176 B7R0.3 C=C(CC)CCCC CNP0084703.0 [1,0,1,0,0,0|1,0,0]=3 177 B7R0.3 C=CC(=O)CCCC CNP0083902.0 [1,0,1,0,0,0|0,0,2]=4 178 B7R0.3 CCC(=O)CCSC CNP0003468.0 [1,0,1,0,0,0|1,0,0]=3 179 B7R0.3 CCC(=O)OCCO CNP0095595.0 [1,0,1,0,0,0|1,0,0]=3 180 B7R0.3 CCC=CC(=O)CC CNP0166330.0 [1,0,1,0,0,0|0,0,2]=4 181 B7R0.3 CCCC=C(C)CC CNP0263169.0 [1,0,1,0,0,0|1,0,1]=4 182 B7R0.3 CCCCC(=O)CC CNP0286726.0 [1,0,1,0,0,0|0,0,0]=2 183 B7R0.3 CCCCC(=O)OC CNP0184855.0 [1,0,1,0,0,0|1,0,0]=3 184 B7R0.3 CCCC[C@@H](C)CC CNP0161853.2 [1,0,1,0,0,0|1,0,1]=4 185 B7R0.3 CCCC[C@H](C)CC CNP0161853.1 [1,0,1,0,0,0|1,0,1]=4 186 B7R0.3 CCCC[C@H](O)CC CNP0102609.1 [1,0,1,0,0,0|0,0,2]=4 187 B7R0.3 CCCOC(=O)CC CNP0296678.0 [1,0,1,0,0,0|0,0,0]=2 188 B7R0.3 CCOCC(=O)OC CNP0306071.0 [1,0,1,0,0,0|2,0,0]=4 189 B7R0.3 COC(=O)CCSC CNP0302353.0 [1,0,1,0,0,0|2,0,0]=4 190 B7R0.7 CC=CC(C)CCC CNP0084706.0 [1,0,1,0,0,0|1,0,0]=3 191 B7R0.7 CC=CC(O)CCC CNP0324750.0 [1,0,1,0,0,0|1,0,1]=4 192 B7R0.7 CCCC(C)CC=O CNP0405888.0 [1,0,1,0,0,0|1,0,0]=3 193 B7R0.7 CCCC(C)CCC CNP0137963.0 [1,0,1,0,0,0|1,0,1]=4 194 B7R0.7 CCCC(O)CCC CNP0407378.0 [1,0,1,0,0,0|0,0,1]=3 195 B7R0.7 CCC[C@@H](C)CCO CNP0076379.1 [1,0,1,0,0,0|1,0,1]=4 196 B7R0.7 CCC[C@@H](C)SCC CNP0322285.1 [1,0,1,0,0,0|0,1,1]=4 197 B7R0.7 CCC[C@@H](S)CCO CNP0156811.1 [1,0,1,0,0,0|0,1,1]=4 198 B7R0.7 CCC[C@H](C)CCO CNP0076379.2 [1,0,1,0,0,0|1,0,1]=4 199 B7R0.7 CCC[C@H](C)OCC CNP0076637.1 [1,0,1,0,0,0|0,0,1]=3 200 B7R0.7 CCC[C@H](S)CCO CNP0156811.2 [1,0,1,0,0,0|0,1,1]=4 201 B7R0.7 CCOC(C)OCC CNP0177172.0 [1,0,1,0,0,0|1,0,1]=4 202 B7R0.7 OCCC(O)CCO CNP0198973.0 [1,0,1,0,0,0|1,0,1]=4 203 B7R0.2 CC(=O)OC(C)C#N CNP0194658.0 [1,0,1,0,0,0|1,0,1]=4 204 B7R0.2 CC(=O)OC(C)C=O CNP0528164.0 [1,0,1,0,0,0|1,0,1]=4 205 B7R0.2 CCC(=CC(=O)C)C CNP0380051.0 [1,0,1,0,0,0|1,0,1]=4 206 B7R0.2 CCC(C)CC(=O)C CNP0555982.0 [1,0,1,0,0,0|1,0,0]=3 207 B7R0.2 CC[C@@H](C)CC(=O)O CNP0258429.2 [1,0,1,0,0,0|2,0,0]=4 208 B7R0.2 CC[C@@H](C)OC(=O)C CNP0076550.2 [1,0,1,0,0,0|0,0,0]=2 209 B7R0.2 CC[C@H](C)CC(=O)Cl CNP0111918.1 [1,0,1,0,0,0|2,0,0]=4 210 B7R0.2 CC[C@H](C)CC(=O)N CNP0105662.1 [1,0,1,0,0,0|2,0,0]=4 211 B7R0.2 CC[C@H](C)CC(=O)O CNP0258429.1 [1,0,1,0,0,0|2,0,0]=4 212 B7R0.2 CC[C@H](C)OC(=O)C CNP0076550.1 [1,0,1,0,0,0|0,0,0]=2 213 B7R0.4 C=C(O)CCCCC CNP0475201.0 [1,0,1,0,0,0|1,0,0]=3 214 B7R0.4 C=CCCCC(=O)O CNP0553840.0 [1,0,1,0,0,0|0,0,2]=4 215 B7R0.4 CC(=O)OCCCS CNP0325111.0 [1,0,1,0,0,0|1,0,0]=3 216 B7R0.4 CC=CCCC(=O)O CNP0086055.0 [1,0,1,0,0,0|0,0,2]=4 217 B7R0.4 CCC=CCC(=O)O CNP0276461.0 [1,0,1,0,0,0|0,0,2]=4 218 B7R0.4 CCCC=CC(=O)C CNP0280826.0 [1,0,1,0,0,0|1,0,1]=4 219 B7R0.4 CCCC=CC(=O)O CNP0215085.0 [1,0,1,0,0,0|0,0,2]=4 220 B7R0.4 CCCCCC(=O)C CNP0240774.0 [1,0,1,0,0,0|1,0,0]=3 221 B7R0.4 CCCCCC(=O)N CNP0077222.0 [1,0,1,0,0,0|1,0,0]=3 222 B7R0.4 CCCCCC(=O)O CNP0210437.0 [1,0,1,0,0,0|0,0,0]=2 223 B7R0.4 CCCCCC(=S)O CNP0092443.0 [1,0,1,0,0,0|0,1,0]=3 224 B7R0.4 CCCCC[14C](=O)O CNP0563421.0 [1,0,1,0,0,0|0,0,0]=2 225 B7R0.4 CCCCC[C@@H](C)O CNP0256316.1 [1,0,1,0,0,0|1,0,1]=4 226 B7R0.4 CCCCC[C@H](C)O CNP0256316.2 [1,0,1,0,0,0|1,0,1]=4 227 B7R0.4 CCCCOC(=O)C CNP0158571.0 [1,0,1,0,0,0|0,0,0]=2 228 B7R0.4 CCCSOC(=O)C CNP0411356.0 [1,0,1,0,0,0|1,0,0]=3 229 B7R0.4 CCOCCC(=O)C CNP0086134.0 [1,0,1,0,0,0|2,0,0]=4 230 B7R0.4 CCOCCC(=O)O CNP0566237.0 [1,0,1,0,0,0|1,0,0]=3 231 B7R0.4 CNCCCC(=O)O CNP0216187.0 [1,0,1,0,0,0|1,0,0]=3 232 B7R0.4 COCCCC(=O)C CNP0580201.0 [1,0,1,0,0,0|2,0,0]=4 233 B7R0.4 COCCOC(=O)C CNP0278807.0 [1,0,1,0,0,0|1,0,0]=3 234 B7R0.4 N#CCCCC(=O)O CNP0192028.0 [1,0,1,0,0,0|1,0,1]=4 235 B7R0.4 NCCCCC(=O)N CNP0001733.0 [1,0,1,0,0,0|2,0,0]=4 236 B7R0.4 NCCCCC(=O)O CNP0167970.0 [1,0,1,0,0,0|1,0,0]=3 237 B7R0.4 NCCNCC(=O)O CNP0461877.0 [1,0,1,0,0,0|2,0,0]=4 238 B7R0.4 O=C(O)CCCCO CNP0601188.0 [1,0,1,0,0,0|1,0,0]=3 239 B7R0.4 O=C(O)CNCCO CNP0333030.0 [1,0,1,0,0,0|2,0,0]=4 240 B7R0.4 O=CCCCC(=O)O CNP0051154.0 [1,0,1,0,0,0|1,0,1]=4 241 B7R0.12 C=CCC(CC)CC CNP0564971.0 [1,0,1,0,0,0|2,0,0]=4 242 B7R0.12 CCCC(CC)CC CNP0154770.0 [1,0,1,0,0,0|1,0,1]=4 243 B7R0.12 O=COC(CO)CO CNP0272402.0 [1,0,1,0,0,0|2,0,0]=4 244 B7R1.1 CCC1CCCC1 CNP0273207.0 [2,0,0,0,0,0|1,0,1]=4 245 B7R1.1 CCC1OCCO1 CNP0566823.0 [2,0,0,0,0,0|1,0,1]=4 246 B7R1.1 OC[C@@H]1CCCO1 CNP0262830.1 [2,0,0,0,0,0|1,0,1]=4 247 B7R1.1 OC[C@H]1CCCO1 CNP0262830.2 [2,0,0,0,0,0|1,0,1]=4 248 B7R1.2 CC1=CC(=O)CC1 CNP0317275.0 [2,0,0,0,0,0|1,0,1]=4 249 B7R1.2 CC1=CCC(=O)O1 CNP0256319.0 [2,0,0,0,0,0|0,0,2]=4 250 B7R1.2 CC1C=C(CC1)O CNP0082123.0 [2,0,0,0,0,0|1,0,1]=4 251 B7R1.2 CC1C=CC(=O)O1 CNP0003646.0 [2,0,0,0,0,0|0,0,2]=4 252 B7R1.2 CC1CCC(=O)C1 CNP0601005.0 [2,0,0,0,0,0|1,0,0]=3 253 B7R1.2 CC1CCC(=O)S1 CNP0014457.0 [2,0,0,0,0,0|0,1,0]=3 254 B7R1.2 CC1CNC(=O)C1 CNP0609130.0 [2,0,0,0,0,0|2,0,0]=4 255 B7R1.2 CC1COC(=O)O1 CNP0609065.0 [2,0,0,0,0,0|1,0,0]=3 256 B7R1.2 C[C@@H]1CCC(=O)O1 CNP0123835.1 [2,0,0,0,0,0|0,0,0]=2 257 B7R1.2 C[C@@H]1CC[C@@H](O1)C CNP0230648.1 [2,0,0,0,0,0|1,0,1]=4 258 B7R1.2 C[C@@H]1COC(=O)C1 CNP0323281.1 [2,0,0,0,0,0|2,0,0]=4 259 B7R1.2 C[C@H]1CCC(=O)O1 CNP0123835.2 [2,0,0,0,0,0|0,0,0]=2 260 B7R1.2 C[C@H]1COC(=O)C1 CNP0323281.2 [2,0,0,0,0,0|2,0,0]=4 261 B7R1.2 O=C1CCC(=O)O1 CNP0079889.0 [2,0,0,0,0,0|1,0,1]=4 262 B7R1.2 O=C1CC[C@@H](N1)O CNP0286097.2 [2,0,0,0,0,0|2,0,0]=4 263 B7R1.2 O=C1CC[C@H](N1)O CNP0286097.1 [2,0,0,0,0,0|2,0,0]=4 264 B9R0.4 CCCC[C@@H](O)CC(C)C CNP0080555.1 [0,1,1,0,0,0|1,0,1]=4 265 B9R0.4 CCCC[C@H](O)CC(C)C CNP0080555.2 [0,1,1,0,0,0|1,0,1]=4 266 B9R0.5 CCCC(=O)CCCC=O CNP0599929.0 [0,1,1,0,0,0|0,0,2]=4 267 B9R0.5 CCCCC[C@H](O)CCC CNP0294811.1 [0,1,1,0,0,0|1,0,1]=4 268 B9R0.8 CCCC[C@@H](O)[C@H](C)CC CNP0267749.1 [0,1,1,0,0,0|1,0,1]=4 269 B9R0.8 CCCC[C@H](O)[C@@H](C)CC CNP0267749.2 [0,1,1,0,0,0|1,0,1]=4 270 B9R0.35 CCC[C@@H](O)[C@@H](C)CCC CNP0244344.1 [0,1,1,0,0,0|1,0,1]=4 271 B9R0.48 CCCC(=O)CCC(=O)C CNP0566396.0 [0,1,1,0,0,0|0,0,2]=4 272 B9R0.48 CCCC(C)CCC(=O)C CNP0484866.0 [0,1,1,0,0,0|1,0,0]=3 273 B9R0.48 CCCC(O)CCC(C)C CNP0579701.0 [0,1,1,0,0,0|1,0,1]=4 274 B9R0.48 CCC[C@@H](N)CCC(=O)O CNP0360374.1 [0,1,1,0,0,0|1,0,0]=3 275 B9R0.48 CCC[C@@H](O)CCC(=O)O CNP0457735.2 [0,1,1,0,0,0|0,0,0]=2 276 B9R0.48 CCC[C@H](N)CCC(=O)O CNP0360374.2 [0,1,1,0,0,0|1,0,0]=3 277 B9R0.48 CCC[C@H](O)CCC(=O)O CNP0457735.1 [0,1,1,0,0,0|0,0,0]=2 278 B9R0.6 CCC[C@@H](C)[C@H](N)C(=O)O CNP0381888.1 [0,1,1,0,0,0|2,0,0]=4 279 B9R0.6 CCC[C@H](C)[C@H](N)C(=O)O CNP0381888.2 [0,1,1,0,0,0|2,0,0]=4 280 B9R0.14 C#C[C@H](CCC)OC(=O)C CNP0409199.1 [0,1,1,0,0,0|0,0,1]=3 281 B9R0.14 C=C[C@@H](CCC)OC(=O)C CNP0360654.1 [0,1,1,0,0,0|0,0,1]=3 282 B9R0.14 CCCC(CC)OC(=O)C CNP0522744.0 [0,1,1,0,0,0|0,0,0]=2 283 B9R0.23 CCC(=O)[C@H](C)NC(=O)C CNP0481788.1 [0,1,1,0,0,0|1,0,1]=4 284 B9R0.23 CC[C@@H](O)[C@H](C)NC(=O)C CNP0535111.2 [0,1,1,0,0,0|1,0,0]=3 285 B9R0.23 CC[C@H](O)[C@H](C)NC(=O)C CNP0535111.1 [0,1,1,0,0,0|1,0,0]=3 286 B9R0.23 CSC(=O)C(C)OC(=O)C CNP0019263.0 [0,1,1,0,0,0|1,0,1]=4 287 B9R0.44 CCCC(C)O[Si](C)(C)C CNP0498695.0 [0,1,1,0,0,0|1,1,0]=4 288 B9R0.53 CC(=O)C[C@@H](C)CC(C)C CNP0357030.1 [0,1,1,0,0,0|1,0,0]=3 289 B9R0.53 CC(=O)C[C@@H](C)OC(=O)C CNP0303654.1 [0,1,1,0,0,0|0,0,1]=3 290 B9R0.53 CC(=O)OC(C)OC(=O)C CNP0079847.0 [0,1,1,0,0,0|1,0,1]=4 291 B9R0.53 CC(=O)O[C@H](C)CC(=O)O CNP0305826.1 [0,1,1,0,0,0|1,0,1]=4 292 B9R0.53 CC(=O)O[C@H](C)CC(C)C CNP0489311.1 [0,1,1,0,0,0|0,0,0]=2 293 B9R0.1 CCC(=O)C=CCC(C)C CNP0303308.0 [0,1,1,0,0,0|1,0,1]=4 294 B9R0.1 CCC(=O)OCCC(C)C CNP0244888.0 [0,1,1,0,0,0|0,0,0]=2 295 B9R0.1 CCC(=O)OCC[N+](=O)[O-] CNP0502112.0 [0,1,1,0,0,0|2,0,0]=4 296 B9R0.1 COC(=O)CCCC(C)C CNP0354056.0 [0,1,1,0,0,0|2,0,0]=4 297 B9R0.24 CCC(=O)CCC(=O)CC CNP0280257.0 [0,1,1,0,0,0|1,0,1]=4 298 B9R0.24 CCC(=O)CC[C@@H](C)CC CNP0210465.2 [0,1,1,0,0,0|1,0,0]=3 299 B9R0.24 CCC(=O)CC[C@H](C)CC CNP0210465.1 [0,1,1,0,0,0|1,0,0]=3 300 B9R0.24 CCC(=O)OC[C@@H](C)CC CNP0161389.1 [0,1,1,0,0,0|0,0,0]=2 301 B9R0.24 CCC(C)CCC(=O)OC CNP0076942.0 [0,1,1,0,0,0|2,0,0]=4 302 B9R0.46 C=CC(=O)OCCOCC CNP0523688.0 [0,1,1,0,0,0|0,0,2]=4 303 B9R0.46 C=CCCCCC(=O)CC CNP0107479.0 [0,1,1,0,0,0|1,0,1]=4 304 B9R0.46 CCCCC=CC(=O)OC CNP0002590.0 [0,1,1,0,0,0|2,0,0]=4 305 B9R0.46 CCCCCCC(=O)CC CNP0226154.0 [0,1,1,0,0,0|1,0,0]=3 306 B9R0.46 CCCCCCC(=O)OC CNP0149439.0 [0,1,1,0,0,0|2,0,0]=4 307 B9R0.46 CCCCCOC(=O)CC CNP0268077.0 [0,1,1,0,0,0|0,0,0]=2 308 B9R0.46 CSCCCOC(=O)CS CNP0575609.0 [0,1,1,0,0,0|1,0,0]=3 309 B9R0.47 C=C(C)C(=O)OCCCC CNP0245815.0 [0,1,1,0,0,0|0,0,1]=3 310 B9R0.47 CCCCCC(=O)C(=O)C CNP0172779.0 [0,1,1,0,0,0|1,0,1]=4 311 B9R0.47 CCCCCC(=O)C(Br)Br CNP0018433.0 [0,1,1,0,0,0|2,0,0]=4 312 B9R0.47 CCCCCC(=O)[C@H](C)O CNP0109068.1 [0,1,1,0,0,0|1,0,0]=3 313 B9R0.47 CCCCOC(=O)C(C)C CNP0252598.0 [0,1,1,0,0,0|0,0,0]=2 314 B9R0.47 CCCCOC(=O)[C@H](C)O CNP0002502.1 [0,1,1,0,0,0|0,0,0]=2 315 B9R0.50 CCCCC=C(C=O)CC CNP0377822.0 [0,1,1,0,0,0|1,0,0]=3 316 B9R0.2 C=CCCCCCC(=O)C CNP0160913.0 [0,1,1,0,0,0|1,0,1]=4 317 B9R0.2 CC(=O)CCCCCCO CNP0501685.0 [0,1,1,0,0,0|1,0,0]=3 318 B9R0.2 CC(=O)NCCCCCN CNP0366211.0 [0,1,1,0,0,0|2,0,0]=4 319 B9R0.2 CCC=CCCCC(=O)O CNP0227056.0 [0,1,1,0,0,0|0,0,1]=3 320 B9R0.2 CCCC=CCCC(=O)C CNP0193124.0 [0,1,1,0,0,0|1,0,1]=4 321 B9R0.2 CCCC=CCCC(=O)O CNP0173555.0 [0,1,1,0,0,0|0,0,1]=3 322 B9R0.2 CCCCC=CCC(=O)O CNP0229088.0 [0,1,1,0,0,0|0,0,1]=3 323 B9R0.2 CCCCCC=CC(=O)C CNP0269922.0 [0,1,1,0,0,0|1,0,1]=4 324 B9R0.2 CCCCCC=CC(=O)O CNP0184671.0 [0,1,1,0,0,0|0,0,1]=3 325 B9R0.2 CCCCCCCC(=O)C CNP0364677.0 [0,1,1,0,0,0|1,0,0]=3 326 B9R0.2 CCCCCCCC(=O)Cl CNP0103465.0 [0,1,1,0,0,0|1,0,0]=3 327 B9R0.2 CCCCCCCC(=O)N CNP0331649.0 [0,1,1,0,0,0|1,0,0]=3 328 B9R0.2 CCCCCCCC(=O)O CNP0295653.0 [0,1,1,0,0,0|0,0,0]=2 329 B9R0.2 CCCCCCCC(=O)[O-] CNP0500893.0 [0,1,1,0,0,0|0,0,1]=3 330 B9R0.2 CCCCCCCC(=O)[O-] CNP0511604.0 [0,1,1,0,0,0|0,0,1]=3 331 B9R0.2 CCCCCCCC(=O)[O-] CNP0512624.0 [0,1,1,0,0,0|0,0,1]=3 332 B9R0.2 CCCCCCCC(=O)[O-] CNP0547610.0 [0,1,1,0,0,0|0,0,1]=3 333 B9R0.2 CCCCCCCC(=O)[O-] CNP0574369.0 [0,1,1,0,0,0|0,0,1]=3 334 B9R0.2 CCCCCCCC(=O)[O-] CNP0581537.0 [0,1,1,0,0,0|0,0,1]=3 335 B9R0.2 CCCCCCC[C@@H](C)O CNP0111016.1 [0,1,1,0,0,0|1,0,1]=4 336 B9R0.2 CCCCCCC[C@H](C)O CNP0111016.2 [0,1,1,0,0,0|1,0,1]=4 337 B9R0.2 CCCCCCC[N+](=O)O CNP0592647.0 [0,1,1,0,0,0|1,0,0]=3 338 B9R0.2 CCCCCCC[N+](=O)[O-] CNP0548878.0 [0,1,1,0,0,0|1,0,1]=4 339 B9R0.2 CCCCCCOC(=O)C CNP0292917.0 [0,1,1,0,0,0|1,0,0]=3 340 B9R0.2 CCCCOCCC(=O)O CNP0103655.0 [0,1,1,0,0,0|0,0,0]=2 341 B9R0.2 CCOCCOCC(=O)O CNP0083036.0 [0,1,1,0,0,0|1,0,0]=3 342 B9R0.2 O=C(O)CCCCCCS CNP0359132.0 [0,1,1,0,0,0|0,0,0]=2 343 B9R0.55 CC(=O)CCCCC(=O)O CNP0590711.0 [0,1,1,0,0,0|0,0,1]=3 344 B9R0.55 CC(=O)CCCCC(C)C CNP0596169.0 [0,1,1,0,0,0|1,0,0]=3 345 B9R0.55 CC(=O)NCCCC(=O)O CNP0201600.0 [0,1,1,0,0,0|1,0,1]=4 346 B9R0.55 CC(C)CCCCC(=O)N CNP0291155.0 [0,1,1,0,0,0|1,0,0]=3 347 B9R0.55 CC(C)CCCCC(=O)O CNP0196819.0 [0,1,1,0,0,0|0,0,0]=2 348 B9R0.55 CC(C)CCCCC(C)O CNP0482038.0 [0,1,1,0,0,0|1,0,1]=4 349 B9R0.55 CC(O)C=CCCC(=O)O CNP0612153.0 [0,1,1,0,0,0|0,0,2]=4 350 B9R0.55 C[S+](C)CCCCC(=O)O CNP0043116.0 [0,1,1,0,0,0|1,0,0]=3 351 B9R0.55 C[S](C)CCCCC(=O)O CNP0533226.0 [0,1,1,0,0,0|1,0,0]=3 352 B9R0.55 O=C(O)CCCCC(=O)O CNP0296801.0 [0,1,1,0,0,0|1,0,1]=4 353 B9R1.21 CC[C@@H]1CC[C@@H](O1)CC CNP0244835.1 [1,1,0,0,0,0|1,0,1]=4 354 B9R1.21 CC[C@@H]1CC[C@H](O1)CC CNP0244835.2 [1,1,0,0,0,0|1,0,1]=4 355 B9R1.22 CCC1OC(=O)CC1C CNP0611861.0 [1,1,0,0,0,0|0,0,0]=2 356 B9R1.22 O=C1C[C@@H]([C@H](O1)CO)O CNP0110439.1 [1,1,0,0,0,0|1,0,0]=3 357 B9R1.23 O=C1O[C@@H](C[C@@H]1O)CO CNP0181020.1 [1,1,0,0,0,0|1,0,0]=3 358 B9R1.35 CC(=O)[C@@H]1CCC(=O)O1 CNP0235501.1 [1,1,0,0,0,0|0,0,1]=3 359 B9R1.35 CC(C)C1=CC(=O)CC1 CNP0206297.0 [1,1,0,0,0,0|1,0,1]=4 360 B9R1.35 CC(C)[C@@H]1CCC(=O)O1 CNP0292712.2 [1,1,0,0,0,0|0,0,0]=2 361 B9R1.35 CC(C)[C@H]1C=CC(=O)O1 CNP0264367.1 [1,1,0,0,0,0|0,0,2]=4 362 B9R1.35 CC(C)[C@H]1CCC(=O)O1 CNP0292712.1 [1,1,0,0,0,0|0,0,0]=2 363 B9R1.35 CC(O)C1COC(=O)C1 CNP0564312.0 [1,1,0,0,0,0|2,0,0]=4 364 B9R1.35 C[C@@H](O)C1=CC(=O)CC1 CNP0072529.1 [1,1,0,0,0,0|1,0,1]=4 365 B9R1.35 C[C@@H](O)[C@@H]1CCC(=O)O1 CNP0205569.1 [1,1,0,0,0,0|0,0,0]=2 366 B9R1.35 C[C@@H](O)[C@H]1C=CC(=O)O1 CNP0131918.2 [1,1,0,0,0,0|0,0,2]=4 367 B9R1.35 C[C@H](O)[C@H]1C=CC(=O)O1 CNP0131918.1 [1,1,0,0,0,0|0,0,2]=4 368 B9R1.35 C[C@H](O)[C@H]1CCC(=O)O1 CNP0205569.2 [1,1,0,0,0,0|0,0,0]=2 369 B9R1.35 NC(=O)[C@H]1CCC(=O)O1 CNP0031489.1 [1,1,0,0,0,0|1,0,1]=4 370 B9R1.35 O=C1CC[C@@H](O1)C(=O)O CNP0464408.1 [1,1,0,0,0,0|1,0,1]=4 371 B9R1.125 C=CC1(CCC(=O)O1)C CNP0341884.0 [1,1,0,0,0,0|0,0,2]=4 372 B9R1.125 CCC1(COC(=O)C1)C CNP0300906.0 [1,1,0,0,0,0|2,0,0]=4 373 B9R1.125 CC[C@@]1(CNC(=S)O1)C CNP0282162.1 [1,1,0,0,0,0|1,1,0]=4 374 B9R1.125 CC[C@]1(CN=C(O1)S)C CNP0535131.1 [1,1,0,0,0,0|1,1,0]=4 375 B9R1.125 CC[C@]1(CNC(=S)O1)C CNP0282162.2 [1,1,0,0,0,0|1,1,0]=4 376 B9R1.132 CCC1=C(C(=O)CC1)O CNP0259371.0 [1,1,0,0,0,0|1,0,1]=4 377 B9R1.132 CC[C@H]1CCC(=O)C1=O CNP0157827.1 [1,1,0,0,0,0|1,0,0]=3 378 B9R1.11 CCC(C)C1C=COC1 CNP0612000.0 [1,1,0,0,0,0|2,0,0]=4 379 B9R1.11 CCC(C)C1OCCO1 CNP0407840.0 [1,1,0,0,0,0|1,0,1]=4 380 B9R1.11 CCC(O)C1CCCC1 CNP0577832.0 [1,1,0,0,0,0|1,0,1]=4 381 B9R1.12 CCCC[C@@H]1CCSC1 CNP0199750.1 [1,1,0,0,0,0|2,0,0]=4 382 B9R1.12 CCCC[C@H]1CCCO1 CNP0135592.1 [1,1,0,0,0,0|0,0,1]=3 383 B9R1.12 CCCSC1CCCC1 CNP0498612.0 [1,1,0,0,0,0|1,0,1]=4 384 B9R1.12 NCCCN1C=CCC1 CNP0592244.0 [1,1,0,0,0,0|2,0,0]=4 385 B9R1.13 CC(O)CC1CCCN1 CNP0502061.0 [1,1,0,0,0,0|1,0,1]=4 386 B11R1.1 CCCCC1CCC(=O)CC1 CNP0076060.0 [0,1,0,0,0,1|1,0,0]=3 387 B11R1.1 CCCCC1COC(=O)CO1 CNP0527712.0 [0,1,0,0,0,1|1,0,0]=3 388 B11R1.22 CC[C@@H](O)C1CCC(=O)CC1 CNP0040123.1 [0,1,0,0,0,1|1,0,0]=3 389 B11R1.81 CCCC1=C(OC(=O)CC1)C CNP0474826.0 [0,1,0,0,0,1|0,0,1]=3 390 B11R1.1234 O=C1C=CC(CC1)(O)CCO CNP0519676.0 [0,1,0,0,0,1|2,0,0]=4 391 B11R1.1234 O=C1CCC(CC1)(O)CCO CNP0287987.0 [0,1,0,0,0,1|2,0,0]=4 392 B11R1.24 CCCCC1CCCC(=O)O1 CNP0003367.0 [0,1,0,0,0,1|0,0,0]=2 393 B11R1.24 CCCCC1COCC(=O)O1 CNP0582719.0 [0,1,0,0,0,1|0,0,0]=2 394 B11R1.24 CSCC[C@H]1CCNC(=S)O1 CNP0184861.1 [0,1,0,0,0,1|0,1,0]=3 395 B11R1.34 CCC[C@@H]1C[C@@H](CC(=O)O1)O CNP0210234.1 [0,1,0,0,0,1|0,0,0]=2 396 B11R1.34 CCC[C@H]1CC(=O)C=C(C1)C CNP0362437.1 [0,1,0,0,0,1|1,0,1]=4 397 B11R1.157 CC1=N[C@H](CCC1)C[C@@H](C)O CNP0113372.1 [0,1,0,0,0,1|2,0,0]=4 398 B11R1.157 C[C@H](O)C[C@H]1CC=CC(=O)O1 CNP0256359.1 [0,1,0,0,0,1|0,0,1]=3 399 B11R1.157 C[C@H](O)C[C@H]1CCCC(=O)C1 CNP0134374.1 [0,1,0,0,0,1|1,0,0]=3 400 B11R1.182 C/C=C/[C@@H]1OC(=O)CCC1O CNP0605853.1 [0,1,0,0,0,1|0,0,2]=4 401 B11R1.15 C/C=C/[C@H](O)C1CCC(=O)O1 CNP0279920.3 [0,2,0,0,0,0|0,0,1]=3 402 B11R1.15 C/C=C/[C@H](O)[C@@H]1CCC(=O)O1 CNP0279920.2 [0,2,0,0,0,0|0,0,1]=3 403 B11R1.15 C/C=C/[C@H](O)[C@H]1CCC(=O)O1 CNP0279920.1 [0,2,0,0,0,0|0,0,1]=3 404 B11R1.15 CC=C[C@H](O)[C@H]1CCC(=O)O1 CNP0279920.4 [0,2,0,0,0,0|0,0,1]=3 405 B11R1.15 CCOC(=O)C1CCC(=O)O1 CNP0001512.0 [0,2,0,0,0,0|0,0,1]=3 406 B11R1.15 CCOC(=O)[C@@H]1CCC(=O)N1 CNP0367585.2 [0,2,0,0,0,0|1,0,1]=4 407 B11R1.15 CCOC(=O)[C@H]1CCC(=O)N1 CNP0367585.1 [0,2,0,0,0,0|1,0,1]=4 408 B11R1.225 O=C1C[C@@H]([C@@H](O1)[C@@H](O)CO)O CNP0042245.1 [0,2,0,0,0,0|1,0,0]=3 409 B11R1.314 CN(C)C(=O)[C@H]1CCC(=O)O1 CNP0022482.1 [0,2,0,0,0,0|1,0,1]=4 410 B11R1.865 CC[C@@H](C)C1=C(C(=O)CC1)O CNP0287190.1 [0,2,0,0,0,0|1,0,1]=4 411 B11R1.27 CC/C=C\C[C@@H]1C=CC(=O)O1 CNP0289992.1 [0,2,0,0,0,0|0,0,2]=4 412 B11R1.27 CC/C=C\C[C@@H]1CCC(=O)O1 CNP0282378.1 [0,2,0,0,0,0|0,0,0]=2 413 B11R1.27 CC/C=C\C[C@H]1C=CC(=O)O1 CNP0289992.2 [0,2,0,0,0,0|0,0,2]=4 414 B11R1.27 CCCCCC1=CCC(=O)O1 CNP0349463.0 [0,2,0,0,0,0|0,0,2]=4 415 B11R1.27 CCCCC[C@@H]1C=CC(=O)O1 CNP0342511.1 [0,2,0,0,0,0|0,0,2]=4 416 B11R1.27 CCCCC[C@@H]1CCC(=O)O1 CNP0388431.2 [0,2,0,0,0,0|0,0,0]=2 417 B11R1.27 CCCCC[C@H]1CCC(=O)O1 CNP0388431.1 [0,2,0,0,0,0|0,0,0]=2 418 B11R1.27 CCCCC[C@H]1CC[C@H](O1)O CNP0114979.1 [0,2,0,0,0,0|0,0,2]=4 419 B11R1.75 C[S+]([O-])CC[C@H]1CCC(=O)O1 CNP0581959.1 [0,2,0,0,0,0|0,0,0]=2 420 B11R1.75 O=C(O)CC[C@@H]1CCC(=O)N1 CNP0399000.1 [0,2,0,0,0,0|1,0,1]=4 421 B11R1.75 O=C(O)CC[C@H]1CCC(=O)N1 CNP0399000.2 [0,2,0,0,0,0|1,0,1]=4 422 B11R1.212 CCCCC1=C(C(=O)CC1)O CNP0328452.0 [0,2,0,0,0,0|1,0,1]=4 423 B11R1.230 CCCC[C@@H]1OC(=O)C[C@@H]1C CNP0241589.2 [0,2,0,0,0,0|0,0,0]=2 424 B11R1.230 CCCC[C@@H]1OC(=O)C[C@H]1C CNP0241589.4 [0,2,0,0,0,0|0,0,0]=2 425 B11R1.230 CCCC[C@H]1OC(=O)C[C@@H]1C CNP0241589.1 [0,2,0,0,0,0|0,0,0]=2 426 B11R1.230 CCCC[C@H]1OC(=O)C[C@H]1C CNP0241589.3 [0,2,0,0,0,0|0,0,0]=2 427 B11R1.76 C[N+](C)(C)C[C@H]1CCC(=O)O1 CNP0550892.1 [0,2,0,0,0,0|1,0,0]=3 428 B11R1.80 CC(=O)C[C@@H]1C[C@@H](C(=O)O1)C CNP0237623.3 [0,2,0,0,0,0|0,0,1]=3 429 B11R1.80 CC(=O)C[C@@H]1C[C@H](C(=O)O1)C CNP0237623.2 [0,2,0,0,0,0|0,0,1]=3 430 B11R1.80 CC(=O)C[C@H]1C[C@H](C(=O)O1)C CNP0237623.1 [0,2,0,0,0,0|0,0,1]=3 431 B11R1.80 CC(C)C[C@H]1C[C@@H](C(=O)O1)O CNP0356426.1 [0,2,0,0,0,0|0,0,0]=2 432 B11R1.313 CC(C)CC1=C(C(=O)CC1)O CNP0165857.0 [0,2,0,0,0,0|1,0,1]=4 433 B11R1.186 CCCC1=CC(=O)[C@@H]([C@@H]1O)O CNP0156531.3 [0,2,0,0,0,0|1,0,1]=4 434 B11R1.186 CCCC1=CC(=O)[C@@H]([C@H]1O)O CNP0156531.1 [0,2,0,0,0,0|1,0,1]=4 435 B11R1.186 CCCC1=CC(=O)[C@H]([C@@H]1O)O CNP0156531.2 [0,2,0,0,0,0|1,0,1]=4 436 B11R1.186 CCCC1=CC(=O)[C@H]([C@H]1O)O CNP0156531.4 [0,2,0,0,0,0|1,0,1]=4 437 B11R1.598 CCCC1=C(C(=O)C[C@@H]1C)O CNP0107939.1 [0,2,0,0,0,0|1,0,1]=4 438 B9R1.20 CCC1OC1C=CC=O CNP0007771.0 [0,0,1,1,0,0|0,0,2]=4 439 B9R1.27 CCN1C(=O)CCC1O CNP0578376.0 [0,0,1,1,0,0|1,0,0]=3 440 B9R1.27 C[C@@H]1CCC(=O)[C@@H]1CO CNP0207860.1 [0,0,1,1,0,0|2,0,0]=4 441 B9R1.27 C[C@H]1CCC(=O)[C@H]1CO CNP0207860.2 [0,0,1,1,0,0|2,0,0]=4 442 B9R1.49 C=C1CCCC(CC1)C CNP0586791.0 [0,0,1,1,0,0|2,0,0]=4 443 B9R1.69 CC1CCC(CC1C)O CNP0084708.0 [0,0,1,1,0,0|1,0,1]=4 444 B9R1.69 C[C@H]1C[C@H](C=CC1=O)O CNP0114089.1 [0,0,1,1,0,0|0,0,2]=4 445 B9R1.69 C[C@H]1O[C@@H](CCC1=O)O CNP0334218.1 [0,0,1,1,0,0|1,0,0]=3 446 B9R1.34 CC1=CC(=O)CC(C1)C CNP0386862.0 [0,0,1,1,0,0|1,0,1]=4 447 B9R1.34 CC1CC(OC(=N1)S)C CNP0608703.0 [0,0,1,1,0,0|1,1,0]=4 448 B9R1.34 CC1CC(OC(=S)N1)C CNP0132039.0 [0,0,1,1,0,0|1,1,0]=4 449 B9R1.34 C[C@@H]1C[C@H](CC(=O)O1)O CNP0232226.2 [0,0,1,1,0,0|1,0,0]=3 450 B9R1.34 C[C@H]1C[C@@H](CC(=O)O1)O CNP0232226.1 [0,0,1,1,0,0|1,0,0]=3 451 B9R1.41 CC(=O)C1=C(CCC1)C CNP0084970.0 [0,0,1,1,0,0|1,0,1]=4 452 B9R1.41 CC(=O)C1=CCC[C@H]1C CNP0246388.1 [0,0,1,1,0,0|1,0,1]=4 453 B9R1.41 C[C@@H]1CCC[C@H]1C(=O)O CNP0302447.1 [0,0,1,1,0,0|2,0,0]=4 454 B9R1.41 C[C@H]1CCC[C@@H]1C(=O)O CNP0302447.2 [0,0,1,1,0,0|2,0,0]=4 455 B9R1.1 CCC1CCC(=O)CC1 CNP0599298.0 [0,0,1,1,0,0|1,0,0]=3 456 B9R1.1 CC[C@H]1CC=C(CC1)C CNP0192246.1 [0,0,1,1,0,0|2,0,0]=4 457 B9R1.1 COC1CCC(=O)CC1 CNP0217757.0 [0,0,1,1,0,0|2,0,0]=4 458 B9R1.5 CC1CCCCCC1=O CNP0489162.0 [0,0,1,1,0,0|1,0,0]=3 459 B9R1.5 C[C@H]1CCCCOC1=O CNP0187217.1 [0,0,1,1,0,0|0,0,0]=2 460 B9R1.5 N[C@H]1CCCCNC1=O CNP0290610.1 [0,0,1,1,0,0|2,0,0]=4 461 B9R1.6 CC(=O)C1CCCCC1 CNP0575614.0 [0,0,1,1,0,0|1,0,0]=3 462 B9R1.6 CC(=O)N1CCCCC1 CNP0165296.0 [0,0,1,1,0,0|2,0,0]=4 463 B9R1.6 NC(=O)C1CCCCC1 CNP0252967.0 [0,0,1,1,0,0|1,0,0]=3 464 B9R1.6 NC(=O)C1CCCNC1 CNP0071155.0 [0,0,1,1,0,0|2,0,0]=4 465 B9R1.6 NC(=O)[C@@H]1CCCCN1 CNP0291303.1 [0,0,1,1,0,0|2,0,0]=4 466 B9R1.6 O=C(Cl)C1CCCCC1 CNP0262938.0 [0,0,1,1,0,0|1,0,0]=3 467 B9R1.6 O=C(O)C1=CCCCC1 CNP0146896.0 [0,0,1,1,0,0|0,0,2]=4 468 B9R1.6 O=C(O)C1=NCCCC1 CNP0002372.0 [0,0,1,1,0,0|1,0,1]=4 469 B9R1.6 O=C(O)C1CCCCC1 CNP0244214.0 [0,0,1,1,0,0|0,0,0]=2 470 B9R1.6 O=C(O)C1CCNCC1 CNP0070992.0 [0,0,1,1,0,0|1,0,0]=3 471 B9R1.6 O=C(O)[C@@H]1CCCC=N1 CNP0037714.1 [0,0,1,1,0,0|1,0,1]=4 472 B9R1.6 O=C(O)[C@@H]1CCCCN1 CNP0148927.2 [0,0,1,1,0,0|1,0,0]=3 473 B9R1.6 O=C(O)[C@@H]1CCCNC1 CNP0137943.1 [0,0,1,1,0,0|1,0,0]=3 474 B9R1.6 O=C(O)[C@@H]1CCCNN1 CNP0122625.2 [0,0,1,1,0,0|2,0,0]=4 475 B9R1.6 O=C(O)[C@@H]1CSCCN1 CNP0414195.1 [0,0,1,1,0,0|2,0,0]=4 476 B9R1.6 O=C(O)[C@H]1CC=CCC1 CNP0343332.1 [0,0,1,1,0,0|0,0,2]=4 477 B9R1.6 O=C(O)[C@H]1CCCCN1 CNP0148927.1 [0,0,1,1,0,0|1,0,0]=3 478 B9R1.6 O=C(O)[C@H]1CCCNC1 CNP0137943.2 [0,0,1,1,0,0|1,0,0]=3 479 B9R1.6 O=C(O)[C@H]1CCCNN1 CNP0122625.1 [0,0,1,1,0,0|2,0,0]=4 480 B9R1.6 O=[14C](O)[C@H]1CCCCN1 CNP0148927.3 [0,0,1,1,0,0|1,0,0]=3 481 B9R1.85 O=C(O)CCCC1CC1 CNP0252470.0 [0,0,1,1,0,0|0,0,0]=2 482 B9R1.148 CC1(CCCCCC1)O CNP0595918.0 [0,0,1,1,0,0|1,0,1]=4 483 B9R1.14 CC[C@@H]1CCC[C@H]1C=O CNP0253782.2 [0,0,1,1,0,0|1,0,0]=3 484 B9R1.14 CC[C@H]1CCC=C1C=O CNP0161388.1 [0,0,1,1,0,0|1,0,1]=4 485 B9R1.14 CC[C@H]1CCC[C@H]1C=O CNP0253782.1 [0,0,1,1,0,0|1,0,0]=3 486 B9R2.39 O=C1C[C@H]2CC[C@@H]1C2 CNP0573835.1 [1,0,0,1,0,0|1,0,0]=3 487 B9R2.3 C1CC2CCCC2C1 CNP0085894.0 [1,0,0,1,0,0|1,0,1]=4 488 B9R2.3 C1CC2CCCN2C1 CNP0077173.0 [1,0,0,1,0,0|1,0,1]=4 489 B11R2.106 O=C1CCCC2=C1CCC2 CNP0190267.0 [0,0,0,1,0,1|1,0,1]=4 490 B11R2.106 O=C1CCCC2C1=CCC2 CNP0500543.0 [0,0,0,1,0,1|1,0,1]=4 491 B11R2.678 O=C1CC2CCCC(C1)N2 CNP0080266.0 [0,0,0,1,0,1|1,0,0]=3 492 B11R2.66 O=C1C[C@@H]2C(=O)OC[C@@H]2O1 CNP0386488.1 [0,1,0,1,0,0|1,0,1]=4 493 B11R2.1 O=C1CCC2=C1NCCC2 CNP0242482.0 [0,1,0,1,0,0|1,0,1]=4 494 B11R2.1 O=C1CCN2C1CCCC2 CNP0041825.0 [0,1,0,1,0,0|2,0,0]=4 495 B11R2.10 O=C1CC2CCCCC2O1 CNP0524281.0 [0,1,0,1,0,0|0,0,0]=2 496 B11R2.748 O=C1CCC2(C1)CCCC2 CNP0107580.0 [0,1,0,1,0,0|1,0,0]=3 497 B11R2.139 O=C1C[C@H]2CC(=O)C[C@H]2C1 CNP0329594.1 [0,1,0,1,0,0|1,0,1]=4 498 B11R2.126 C[C@@]12CCC(=O)N1CCN2 CNP0399006.2 [0,1,0,1,0,0|2,0,0]=4 499 B11R2.126 C[C@]12CCC(=O)N1CCN2 CNP0399006.1 [0,1,0,1,0,0|2,0,0]=4 500 B11R2.126 O=C1CC[C@]2(N1CCC2)O CNP0311106.1 [0,1,0,1,0,0|1,0,0]=3 501 B7R0.5 C=C(C)C(C)CCC CNP0602061.0 [0,0,1,0,1,0|1,0,0]=3 502 B7R0.5 CCCC(=O)C(=O)C CNP0318298.0 [0,0,1,0,1,0|1,0,1]=4 503 B7R0.5 CCCC(C)C(=O)C CNP0145602.0 [0,0,1,0,1,0|0,0,0]=2 504 B7R0.5 CCC[C@@H](C)C(=O)Cl CNP0181182.1 [0,0,1,0,1,0|1,0,0]=3 505 B7R0.5 CCC[C@@H](C)C(=O)N CNP0263004.1 [0,0,1,0,1,0|1,0,0]=3 506 B7R0.5 CCC[C@@H](C)C(=O)O CNP0218134.2 [0,0,1,0,1,0|1,0,0]=3 507 B7R0.5 CCC[C@@H](N)C(=O)O CNP0198245.2 [0,0,1,0,1,0|2,0,0]=4 508 B7R0.5 CCC[C@@H](O)C(=O)C CNP0171062.1 [0,0,1,0,1,0|1,0,0]=3 509 B7R0.5 CCC[C@H](C)C(=O)Cl CNP0181182.2 [0,0,1,0,1,0|1,0,0]=3 510 B7R0.5 CCC[C@H](C)C(=O)N CNP0263004.2 [0,0,1,0,1,0|1,0,0]=3 511 B7R0.5 CCC[C@H](C)C(=O)O CNP0218134.1 [0,0,1,0,1,0|1,0,0]=3 512 B7R0.5 CCC[C@H](C)C(C)C CNP0153562.1 [0,0,1,0,1,0|1,0,1]=4 513 B7R0.5 CCC[C@H](N)C(=O)N CNP0559533.1 [0,0,1,0,1,0|2,0,0]=4 514 B7R0.5 CCC[C@H](N)C(=O)O CNP0198245.1 [0,0,1,0,1,0|2,0,0]=4 515 B7R0.5 CCC[C@H](O)C(=O)O CNP0107771.1 [0,0,1,0,1,0|2,0,0]=4 516 B7R0.5 CCOC(C)C(=O)C CNP0496996.0 [0,0,1,0,1,0|1,0,0]=3 517 B7R0.5 C[C@@H](CCN)C(=O)O CNP0117278.1 [0,0,1,0,1,0|2,0,0]=4 518 B7R0.5 C[C@H](CCN)C(=O)O CNP0117278.2 [0,0,1,0,1,0|2,0,0]=4 519 B7R1.8 CCC1CCC1O CNP0521190.0 [1,0,0,0,1,0|0,0,2]=4 520 B7R1.6 CCC[C@@H]1CCS1 CNP0328925.1 [1,0,0,0,1,0|0,1,0]=3 521 B7R1.5 CCC[C@@H]1O[C@@H]1C CNP0083069.1 [0,0,0,0,2,0|1,0,1]=4