0 B8R1.4 CC1=CC(=O)CCC1 CNP0209762.0 [0,0,0,0,0,0|0,0,2]=2 1 B8R1.4 CC1=CC(=O)CCO1 CNP0226568.0 [0,0,0,0,0,0|1,0,2]=3 2 B8R1.4 CC1=CC(=O)OCC1 CNP0413900.0 [0,0,0,0,0,0|1,0,2]=3 3 B8R1.4 CC1=CC(CCC1)C CNP0085833.0 [0,0,0,0,0,0|1,0,1]=2 4 B8R1.4 CC1=CCCC(=C1)C CNP0118398.0 [0,0,0,0,0,0|1,0,3]=4 5 B8R1.4 CC1=CCCC(=O)C1 CNP0076330.0 [0,0,0,0,0,0|0,0,2]=2 6 B8R1.4 CC1=CCCC(C1)O CNP0351530.0 [0,0,0,0,0,0|2,0,1]=3 7 B8R1.4 CC1=CCC[C@H](O1)C CNP0262118.1 [0,0,0,0,0,0|2,0,1]=3 8 B8R1.4 CC1=CSCC(=O)N1 CNP0035027.0 [0,0,0,0,0,0|2,0,2]=4 9 B8R1.4 CC1=C[C@@H](CCC1)O CNP0215038.1 [0,0,0,0,0,0|2,0,1]=3 10 B8R1.4 CC1CC=CC(=O)C1 CNP0522143.0 [0,0,0,0,0,0|0,0,2]=2 11 B8R1.4 CC1CCOC(=O)C1 CNP0282964.0 [0,0,0,0,0,0|1,0,0]=1 12 B8R1.4 CN1CCOC(C1)O CNP0001228.0 [0,0,0,0,0,0|2,0,2]=4 13 B8R1.4 C[C@@H]1CC=CC(=O)O1 CNP0386711.2 [0,0,0,0,0,0|1,0,2]=3 14 B8R1.4 C[C@@H]1CCCC(=O)C1 CNP0243495.2 [0,0,0,0,0,0|0,0,0]=0 15 B8R1.4 C[C@@H]1CCCC(=O)O1 CNP0340427.1 [0,0,0,0,0,0|1,0,0]=1 16 B8R1.4 C[C@@H]1CCC[C@@H](C1)C CNP0169936.1 [0,0,0,0,0,0|1,0,1]=2 17 B8R1.4 C[C@@H]1CCC[C@@H](C1)O CNP0155717.1 [0,0,0,0,0,0|0,0,2]=2 18 B8R1.4 C[C@@H]1CCC[C@@H](N1)C CNP0277987.1 [0,0,0,0,0,0|2,0,1]=3 19 B8R1.4 C[C@@H]1CCC[C@H](C1)C CNP0169936.2 [0,0,0,0,0,0|1,0,1]=2 20 B8R1.4 C[C@@H]1CCC[C@H](C1)O CNP0155717.2 [0,0,0,0,0,0|0,0,2]=2 21 B8R1.4 C[C@@H]1CCC[C@H](N1)C CNP0277987.2 [0,0,0,0,0,0|2,0,1]=3 22 B8R1.4 C[C@H]1CC=CC(=O)O1 CNP0386711.1 [0,0,0,0,0,0|1,0,2]=3 23 B8R1.4 C[C@H]1CCCC(=O)C1 CNP0243495.1 [0,0,0,0,0,0|0,0,0]=0 24 B8R1.4 C[C@H]1CCCC(=O)O1 CNP0340427.2 [0,0,0,0,0,0|1,0,0]=1 25 B8R1.4 C[C@H]1CCC[C@@H](C1)O CNP0155717.3 [0,0,0,0,0,0|0,0,2]=2 26 B8R1.4 C[C@H]1CCC[C@H](C1)O CNP0155717.4 [0,0,0,0,0,0|0,0,2]=2 27 B8R1.4 C[C@H]1CCNC(=S)O1 CNP0313391.1 [0,0,0,0,0,0|2,1,0]=3 28 B8R1.4 C[C@H]1OCC[C@@H](O1)C CNP0515975.1 [0,0,0,0,0,0|3,0,1]=4 29 B8R1.4 O=C1C=C(CCC1)O CNP0445529.0 [0,0,0,0,0,0|1,0,2]=3 30 B8R1.4 O=C1C=C(CCO1)O CNP0610564.0 [0,0,0,0,0,0|2,0,2]=4 31 B8R1.4 O=C1CCCC(=O)O1 CNP0609625.0 [0,0,0,0,0,0|2,0,1]=3 32 B8R1.4 O=C1CCNC(=O)N1 CNP0329983.0 [0,0,0,0,0,0|3,0,1]=4 33 B8R1.4 [O-][S@+]1CCC[S@@+](C1)[O-] CNP0508905.1 [0,0,0,0,0,0|3,0,1]=4 34 B8R1.4 [O-][S@@H+]1CCC[S@@H+](C1)[O-] CNP0582976.1 [0,0,0,0,0,0|3,0,1]=4 35 B7R1.3 BrC1CCCCC1 CNP0085881.0 [1,0,0,0,0,0|1,0,1]=3 36 B7R1.3 C=C1CCCCC1 CNP0312009.0 [1,0,0,0,0,0|1,0,0]=2 37 B7R1.3 CC1=CC=CCC1 CNP0238161.0 [1,0,0,0,0,0|0,0,3]=4 38 B7R1.3 CC1=CCC=CC1 CNP0481094.0 [1,0,0,0,0,0|0,0,3]=4 39 B7R1.3 CC1=CCCCC1 CNP0369235.0 [1,0,0,0,0,0|1,0,1]=3 40 B7R1.3 CC1CCCCC1 CNP0191222.0 [1,0,0,0,0,0|0,0,1]=2 41 B7R1.3 CC1CCCCO1 CNP0292894.0 [1,0,0,0,0,0|1,0,1]=3 42 B7R1.3 CC1CCNCC1 CNP0080033.0 [1,0,0,0,0,0|1,0,1]=3 43 B7R1.3 CC1CCOCO1 CNP0130543.0 [1,0,0,0,0,0|2,0,1]=4 44 B7R1.3 CC1SCCSS1 CNP0344509.0 [1,0,0,0,0,0|3,0,0]=4 45 B7R1.3 CN1CCCCC1 CNP0325316.0 [1,0,0,0,0,0|1,0,1]=3 46 B7R1.3 CN1CCOCC1 CNP0225764.0 [1,0,0,0,0,0|2,0,1]=4 47 B7R1.3 C[C@@H]1CC=CCC1 CNP0110127.1 [1,0,0,0,0,0|0,0,1]=2 48 B7R1.3 C[C@@H]1CCCCN1 CNP0238241.1 [1,0,0,0,0,0|1,0,1]=3 49 B7R1.3 C[C@@H]1CCSSS1 CNP0310531.2 [1,0,0,0,0,0|3,0,0]=4 50 B7R1.3 C[C@@H]1OCCCS1 CNP0153942.1 [1,0,0,0,0,0|2,0,1]=4 51 B7R1.3 C[C@H]1CCCCN1 CNP0238241.2 [1,0,0,0,0,0|1,0,1]=3 52 B7R1.3 C[C@H]1CCSSS1 CNP0310531.1 [1,0,0,0,0,0|3,0,0]=4 53 B7R1.3 NC1CCCCC1 CNP0149842.0 [1,0,0,0,0,0|1,0,1]=3 54 B7R1.3 N[C@@H]1CCC=NC1 CNP0491265.1 [1,0,0,0,0,0|2,0,1]=4 55 B7R1.3 O=C1C=CCCC1 CNP0212151.0 [1,0,0,0,0,0|0,0,2]=3 56 B7R1.3 O=C1C=CCCN1 CNP0306654.0 [1,0,0,0,0,0|1,0,2]=4 57 B7R1.3 O=C1CC=CCC1 CNP0481976.0 [1,0,0,0,0,0|0,0,2]=3 58 B7R1.3 O=C1CCC=CO1 CNP0002518.0 [1,0,0,0,0,0|1,0,2]=4 59 B7R1.3 O=C1CCCC=N1 CNP0335756.0 [1,0,0,0,0,0|1,0,1]=3 60 B7R1.3 O=C1CCCCC1 CNP0271526.0 [1,0,0,0,0,0|0,0,0]=1 61 B7R1.3 O=C1CCCCN1 CNP0142808.0 [1,0,0,0,0,0|1,0,0]=2 62 B7R1.3 O=C1CCCCO1 CNP0237404.0 [1,0,0,0,0,0|1,0,0]=2 63 B7R1.3 O=C1CCNCC1 CNP0212699.0 [1,0,0,0,0,0|1,0,0]=2 64 B7R1.3 O=C1COCCN1 CNP0517075.0 [1,0,0,0,0,0|2,0,0]=3 65 B7R1.3 OC1=CCCCC1 CNP0083987.0 [1,0,0,0,0,0|0,0,2]=3 66 B7R1.3 OC1=NCCCC1 CNP0547052.0 [1,0,0,0,0,0|1,0,1]=3 67 B7R1.3 OC1CC=CCC1 CNP0198711.0 [1,0,0,0,0,0|1,0,1]=3 68 B7R1.3 OC1CCCCC1 CNP0213861.0 [1,0,0,0,0,0|0,0,2]=3 69 B7R1.3 OC1COCOC1 CNP0567932.0 [1,0,0,0,0,0|3,0,0]=4 70 B7R1.3 O[C@@H]1C=CCCC1 CNP0239826.2 [1,0,0,0,0,0|1,0,1]=3 71 B7R1.3 O[C@H]1C=CCCC1 CNP0239826.1 [1,0,0,0,0,0|1,0,1]=3 72 B7R1.3 S=C1NCCCO1 CNP0326797.0 [1,0,0,0,0,0|2,1,0]=4 73 B7R1.3 [O-][S+]1CCCSC1 CNP0547147.0 [1,0,0,0,0,0|2,0,1]=4 74 B9R1.2 CC1=CC(=NO)CCC1 CNP0170779.0 [0,1,0,0,0,0|0,0,3]=4 75 B9R1.2 CC[C@@H]1CCC[C@@H](C1)C CNP0296187.1 [0,1,0,0,0,0|1,0,1]=3 76 B9R1.2 CC[C@H]1CCCC(=O)O1 CNP0210303.1 [0,1,0,0,0,0|1,0,0]=2 77 B9R1.2 CNC1=CC(=O)CCC1 CNP0160818.0 [0,1,0,0,0,0|0,0,2]=3 78 B9R1.2 COC1=CC(=O)OCC1 CNP0195461.0 [0,1,0,0,0,0|1,0,2]=4 79 B9R1.2 COC1CN(CCO1)C CNP0462036.0 [0,1,0,0,0,0|3,0,0]=4 80 B9R1.2 CO[C@@H]1CCC[C@@H](O1)C CNP0008964.3 [0,1,0,0,0,0|1,0,2]=4 81 B9R1.2 CO[C@@H]1CCC[C@H](O1)C CNP0008964.4 [0,1,0,0,0,0|1,0,2]=4 82 B9R1.2 CO[C@H]1CCCC(=O)N1 CNP0146387.1 [0,1,0,0,0,0|1,0,0]=2 83 B9R1.2 CO[C@H]1CCC[C@@H](O1)C CNP0008964.1 [0,1,0,0,0,0|1,0,2]=4 84 B9R1.2 CO[C@H]1CCC[C@H](O1)C CNP0008964.2 [0,1,0,0,0,0|1,0,2]=4 85 B9R1.3 CC1=C(C(=O)CCO1)O CNP0273822.0 [0,1,0,0,0,0|1,0,2]=4 86 B9R1.3 CC1C(=O)CCCC1=O CNP0609104.0 [0,1,0,0,0,0|1,0,1]=3 87 B9R1.3 CC1CCCC(C1=O)C CNP0612142.0 [0,1,0,0,0,0|1,0,2]=4 88 B9R1.3 CC1CCCC(C1C)O CNP0521321.0 [0,1,0,0,0,0|0,0,2]=3 89 B9R1.3 CC1[C@@H](CCC[C@H]1C)C CNP0315073.2 [0,1,0,0,0,0|1,0,1]=3 90 B9R1.3 C[C@@H]1CCC[C@@H]([C@H]1O)C CNP0252698.1 [0,1,0,0,0,0|1,0,1]=3 91 B9R1.3 C[C@@H]1CCC[C@H](N1C)C CNP0376276.1 [0,1,0,0,0,0|2,0,1]=4 92 B9R1.3 C[C@H]1CCCC(=O)C1=O CNP0208707.1 [0,1,0,0,0,0|0,0,1]=2 93 B9R1.3 C[C@H]1NCC[C@H]([C@@H]1O)O CNP0174732.1 [0,1,0,0,0,0|1,0,2]=4 94 B9R1.3 C[C@H]1[C@@H](CCC[C@@H]1C)C CNP0315073.1 [0,1,0,0,0,0|1,0,1]=3 95 B9R1.3 O=C1NCC[C@@H]([C@@H]1Cl)O CNP0556775.3 [0,1,0,0,0,0|2,0,0]=3 96 B9R1.3 O=C1NCC[C@@H]([C@H]1Cl)O CNP0556775.4 [0,1,0,0,0,0|2,0,0]=3 97 B9R1.3 O=C1NCC[C@@H]([C@H]1O)O CNP0519609.1 [0,1,0,0,0,0|2,0,0]=3 98 B9R1.3 O=C1NCC[C@H]([C@@H]1Cl)O CNP0556775.2 [0,1,0,0,0,0|2,0,0]=3 99 B9R1.3 O=C1NCC[C@H]([C@H]1Cl)O CNP0556775.1 [0,1,0,0,0,0|2,0,0]=3 100 B9R1.3 OC1=NCC[C@@H]([C@H]1O)O CNP0125833.1 [0,1,0,0,0,0|2,0,1]=4 101 B9R1.3 PC1CCCC(C1P)P CNP0345633.0 [0,1,0,0,0,0|2,0,1]=4 102 B9R1.34 CC1=CC(=O)CC(C1)C CNP0386862.0 [0,1,0,0,0,0|0,0,2]=3 103 B9R1.34 CC1CC(CC(C1)O)C CNP0084709.0 [0,1,0,0,0,0|0,0,2]=3 104 B9R1.34 CC1CC(OC(=N1)S)C CNP0608703.0 [0,1,0,0,0,0|2,1,0]=4 105 B9R1.34 CC1CC(OC(=S)N1)C CNP0132039.0 [0,1,0,0,0,0|2,1,0]=4 106 B9R1.34 CC1OC(=O)CC(=O)O1 CNP0094345.0 [0,1,0,0,0,0|2,0,1]=4 107 B9R1.34 C[C@@H]1CC(=CC(=O)O1)O CNP0195692.1 [0,1,0,0,0,0|1,0,2]=4 108 B9R1.34 C[C@@H]1C[C@H](CC(=O)O1)O CNP0232226.2 [0,1,0,0,0,0|1,0,0]=2 109 B9R1.34 C[C@H]1CC(=CC(=O)O1)O CNP0195692.2 [0,1,0,0,0,0|1,0,2]=4 110 B9R1.34 C[C@H]1C[C@@H](CC(=O)O1)O CNP0232226.1 [0,1,0,0,0,0|1,0,0]=2 111 B9R1.34 C[C@H]1C[C@@H](C[C@H](C1)C)C CNP0111309.1 [0,1,0,0,0,0|1,0,1]=3 112 B9R1.34 C[C@H]1C[C@H](C[C@H](C1)C)C CNP0566092.0 [0,1,0,0,0,0|1,0,1]=3 113 B9R1.66 CC1(C=C(CCC1)O)C CNP0082060.0 [0,1,0,0,0,0|0,0,2]=3 114 B9R1.66 C[C@@]1(CCOC(=O)C1)O CNP0242599.2 [0,1,0,0,0,0|1,0,0]=2 115 B9R1.66 C[C@H]1CCCC(C1)(C)C CNP0230826.1 [0,1,0,0,0,0|1,0,1]=3 116 B9R1.66 C[C@]1(CCOC(=O)C1)O CNP0242599.1 [0,1,0,0,0,0|1,0,0]=2 117 B9R1.69 CC1=C(OC(=O)CC1)C CNP0612037.0 [0,1,0,0,0,0|1,0,2]=4 118 B9R1.69 CC1=CC(=O)OCC1O CNP0356511.0 [0,1,0,0,0,0|1,0,2]=4 119 B9R1.69 CC1=CCC(=O)[C@H](C1)C CNP0328483.1 [0,1,0,0,0,0|1,0,2]=4 120 B9R1.69 CC1C=CC(=O)CC1C CNP0611987.0 [0,1,0,0,0,0|0,0,2]=3 121 B9R1.69 CC1CC(=O)OCC1O CNP0415088.0 [0,1,0,0,0,0|1,0,0]=2 122 B9R1.69 CC1CCC(CC1C)O CNP0084708.0 [0,1,0,0,0,0|0,0,2]=3 123 B9R1.69 C[C@@H]1CC(=O)C=CC1=O CNP0273693.1 [0,1,0,0,0,0|0,0,3]=4 124 B9R1.69 C[C@@H]1CCC(=O)O[C@H]1C CNP0250448.1 [0,1,0,0,0,0|1,0,0]=2 125 B9R1.69 C[C@@H]1CC[C@@H](C(=O)O1)C CNP0186029.3 [0,1,0,0,0,0|1,0,0]=2 126 B9R1.69 C[C@@H]1CC[C@@H](OC1=O)C CNP0186029.1 [0,1,0,0,0,0|1,0,0]=2 127 B9R1.69 C[C@@H]1CC[C@H](C(=O)O1)C CNP0186029.2 [0,1,0,0,0,0|1,0,0]=2 128 B9R1.69 C[C@@H]1CC[C@H]([C@@H](C1)C)C CNP0283819.1 [0,1,0,0,0,0|1,0,1]=3 129 B9R1.69 C[C@@H]1C[C@@H]([C@H](CO1)O)O CNP0205003.3 [0,1,0,0,0,0|1,0,2]=4 130 B9R1.69 C[C@@H]1C[C@H]([C@@H](CO1)O)O CNP0205003.2 [0,1,0,0,0,0|1,0,2]=4 131 B9R1.69 C[C@@H]1C[C@H]([C@H](CO1)O)O CNP0205003.1 [0,1,0,0,0,0|1,0,2]=4 132 B9R1.69 C[C@@H]1NC(=O)CNC1=O CNP0190271.1 [0,1,0,0,0,0|2,0,1]=4 133 B9R1.69 C[C@@H]1OC(=O)C=C[C@H]1O CNP0277618.1 [0,1,0,0,0,0|1,0,2]=4 134 B9R1.69 C[C@@H]1OC(=O)CC[C@@H]1C CNP0250448.2 [0,1,0,0,0,0|1,0,0]=2 135 B9R1.69 C[C@@H]1O[C@H](CC[C@@H]1O)O CNP0422647.2 [0,1,0,0,0,0|1,0,2]=4 136 B9R1.69 C[C@@H]1O[C@H](CC[C@H]1O)O CNP0422647.1 [0,1,0,0,0,0|1,0,2]=4 137 B9R1.69 C[C@H]1NC(=O)CNC1=O CNP0190271.2 [0,1,0,0,0,0|2,0,1]=4 138 B9R1.69 C[C@H]1OC(=O)C=C[C@@H]1O CNP0277618.2 [0,1,0,0,0,0|1,0,2]=4 139 B9R1.69 C[C@H]1OC(=O)C=C[C@H]1O CNP0277618.3 [0,1,0,0,0,0|1,0,2]=4 140 B9R1.69 C[C@H]1O[C@H](CC[C@@H]1O)O CNP0422647.3 [0,1,0,0,0,0|1,0,2]=4 141 B9R1.69 O=C1C[C@H]([C@H](CO1)O)O CNP0254942.1 [0,1,0,0,0,0|2,0,0]=3 142 B7R0.2 C=CC(=O)NC(C)C CNP0414888.0 [0,0,1,0,0,0|1,0,2]=4 143 B7R0.2 CC(=O)CC(=NO)C CNP0221601.0 [0,0,1,0,0,0|2,0,1]=4 144 B7R0.2 CC(=O)OC(C)C#N CNP0194658.0 [0,0,1,0,0,0|2,0,1]=4 145 B7R0.2 CC(=O)OC(C)C=O CNP0528164.0 [0,0,1,0,0,0|2,0,1]=4 146 B7R0.2 CC(C)CC(=O)C#N CNP0113699.0 [0,0,1,0,0,0|1,0,1]=3 147 B7R0.2 CC(C)C[C@@H](N)CO CNP0295420.1 [0,0,1,0,0,0|2,0,1]=4 148 B7R0.2 CC(C)C[C@H](N)CO CNP0295420.2 [0,0,1,0,0,0|2,0,1]=4 149 B7R0.2 CC(CO)CC(=O)O CNP0350905.0 [0,0,1,0,0,0|2,0,0]=3 150 B7R0.2 CC=C(C)CC(=O)N CNP0143814.0 [0,0,1,0,0,0|1,0,2]=4 151 B7R0.2 CC=C(C)CC(=O)O CNP0178168.0 [0,0,1,0,0,0|1,0,2]=4 152 B7R0.2 CCC(=CC(=O)C)C CNP0380051.0 [0,0,1,0,0,0|0,0,2]=3 153 B7R0.2 CCC(=CC(=O)O)C CNP0340018.0 [0,0,1,0,0,0|1,0,2]=4 154 B7R0.2 CCC(=O)C=C(C)C CNP0540144.0 [0,0,1,0,0,0|0,0,2]=3 155 B7R0.2 CCC(=O)CC(=O)O CNP0066606.0 [0,0,1,0,0,0|2,0,1]=4 156 B7R0.2 CCC(=O)CC(C)C CNP0284484.0 [0,0,1,0,0,0|0,0,0]=1 157 B7R0.2 CCC(=O)NC(=O)C CNP0168988.0 [0,0,1,0,0,0|2,0,1]=4 158 B7R0.2 CCC(=O)OC(C)C CNP0250066.0 [0,0,1,0,0,0|1,0,0]=2 159 B7R0.2 CCC(C)CC(=O)C CNP0555982.0 [0,0,1,0,0,0|0,0,0]=1 160 B7R0.2 CC[C@@H](C)CC(=O)O CNP0258429.2 [0,0,1,0,0,0|1,0,0]=2 161 B7R0.2 CC[C@@H](C)OC(=O)C CNP0076550.2 [0,0,1,0,0,0|1,0,0]=2 162 B7R0.2 CC[C@H](C)CC(=O)Cl CNP0111918.1 [0,0,1,0,0,0|1,0,0]=2 163 B7R0.2 CC[C@H](C)CC(=O)N CNP0105662.1 [0,0,1,0,0,0|1,0,0]=2 164 B7R0.2 CC[C@H](C)CC(=O)O CNP0258429.1 [0,0,1,0,0,0|1,0,0]=2 165 B7R0.2 CC[C@H](C)CC(C)C CNP0229015.1 [0,0,1,0,0,0|1,0,1]=3 166 B7R0.2 CC[C@H](C)NC(=N)S CNP0609369.1 [0,0,1,0,0,0|2,1,0]=4 167 B7R0.2 CC[C@H](C)NC(=S)N CNP0206786.1 [0,0,1,0,0,0|2,1,0]=4 168 B7R0.2 CC[C@H](C)OC(=O)C CNP0076550.1 [0,0,1,0,0,0|1,0,0]=2 169 B7R0.2 CC[C@H](O)CC(=O)N CNP0018371.1 [0,0,1,0,0,0|2,0,0]=3 170 B7R0.2 CC[C@H](O)CC(=O)O CNP0308552.1 [0,0,1,0,0,0|2,0,0]=3 171 B7R0.2 CC[C@H](O)C[N+](=O)[O-] CNP0493825.1 [0,0,1,0,0,0|3,0,0]=4 172 B7R0.2 CN(C)CC(=O)NN CNP0250241.0 [0,0,1,0,0,0|3,0,0]=4 173 B7R0.2 COC(=CC(=O)C)C CNP0350005.0 [0,0,1,0,0,0|1,0,2]=4 174 B7R0.2 COC(=O)C=C(C)C CNP0329537.0 [0,0,1,0,0,0|1,0,2]=4 175 B7R0.2 COC(=O)CC(=O)C CNP0086286.0 [0,0,1,0,0,0|2,0,1]=4 176 B7R0.2 COC(=O)CC(C)C CNP0289344.0 [0,0,1,0,0,0|1,0,0]=2 177 B7R0.2 COC(=O)CC(C)S CNP0050854.0 [0,0,1,0,0,0|2,0,0]=3 178 B7R0.2 COC(=O)CN(C)C CNP0318263.0 [0,0,1,0,0,0|2,0,0]=3 179 B7R0.2 COC(=O)C[C@@H](C)N CNP0127877.1 [0,0,1,0,0,0|2,0,0]=3 180 B7R0.2 COC(=O)C[C@H](C)O CNP0117417.1 [0,0,1,0,0,0|2,0,0]=3 181 B7R0.2 COC(=O)C[S+](C)C CNP0025669.0 [0,0,1,0,0,0|2,0,0]=3 182 B7R0.2 COC(=O)C[S](C)C CNP0539244.0 [0,0,1,0,0,0|2,0,0]=3 183 B7R0.2 CSC(=O)CC(C)C CNP0084338.0 [0,0,1,0,0,0|1,0,0]=2 184 B7R0.2 NC[C@@H](N)CC(=O)O CNP0190172.1 [0,0,1,0,0,0|3,0,0]=4 185 B7R0.2 NC[C@@H](O)CC(=O)O CNP0335183.1 [0,0,1,0,0,0|3,0,0]=4 186 B7R0.2 NC[C@H](N)CC(=O)O CNP0190172.2 [0,0,1,0,0,0|3,0,0]=4 187 B7R0.2 NC[C@H](O)CC(=O)O CNP0335183.2 [0,0,1,0,0,0|3,0,0]=4 188 B7R0.2 N[C@@H](CS)CC(=O)O CNP0534853.1 [0,0,1,0,0,0|3,0,0]=4 189 B7R0.2 N[C@H](CO)CC(=O)O CNP0415784.1 [0,0,1,0,0,0|3,0,0]=4 190 B7R0.2 O=C(O)C[C@H](O)CO CNP0269358.1 [0,0,1,0,0,0|3,0,0]=4 191 B7R0.4 C=C(C)CCC=CC CNP0576117.0 [0,0,1,0,0,0|1,0,2]=4 192 B7R0.4 C=C(O)CCCCC CNP0475201.0 [0,0,1,0,0,0|0,0,2]=3 193 B7R0.4 C=CCCCC(=O)O CNP0553840.0 [0,0,1,0,0,0|1,0,2]=4 194 B7R0.4 C=CCCCC(C)C CNP0359236.0 [0,0,1,0,0,0|1,0,0]=2 195 B7R0.4 CC(=CCOC=O)C CNP0041956.0 [0,0,1,0,0,0|1,0,2]=4 196 B7R0.4 CC(=O)CCCC=O CNP0331218.0 [0,0,1,0,0,0|1,0,1]=3 197 B7R0.4 CC(=O)NCCC=O CNP0100556.0 [0,0,1,0,0,0|2,0,1]=4 198 B7R0.4 CC(=O)OCCCS CNP0325111.0 [0,0,1,0,0,0|2,0,0]=3 199 B7R0.4 CC(C)CCCCO CNP0497904.0 [0,0,1,0,0,0|0,0,2]=3 200 B7R0.4 CC(C)CCN=C=S CNP0085995.0 [0,0,1,0,0,0|1,1,1]=4 201 B7R0.4 CC(C)CCNC=O CNP0473179.0 [0,0,1,0,0,0|1,0,0]=2 202 B7R0.4 CC(C)CCOC=O CNP0324042.0 [0,0,1,0,0,0|1,0,0]=2 203 B7R0.4 CC(C)CCON=O CNP0341686.0 [0,0,1,0,0,0|2,0,0]=3 204 B7R0.4 CC(O)CCCCO CNP0285438.0 [0,0,1,0,0,0|1,0,2]=4 205 B7R0.4 CC=CCCC(=O)O CNP0086055.0 [0,0,1,0,0,0|1,0,2]=4 206 B7R0.4 CCC=CCC(=O)C CNP0207647.0 [0,0,1,0,0,0|0,0,2]=3 207 B7R0.4 CCC=CCC(=O)O CNP0276461.0 [0,0,1,0,0,0|1,0,2]=4 208 B7R0.4 CCCC=CC(=O)C CNP0280826.0 [0,0,1,0,0,0|0,0,2]=3 209 B7R0.4 CCCC=CC(=O)O CNP0215085.0 [0,0,1,0,0,0|1,0,2]=4 210 B7R0.4 CCCCCC(=O)C CNP0240774.0 [0,0,1,0,0,0|0,0,0]=1 211 B7R0.4 CCCCCC(=O)N CNP0077222.0 [0,0,1,0,0,0|1,0,0]=2 212 B7R0.4 CCCCCC(=O)O CNP0210437.0 [0,0,1,0,0,0|1,0,0]=2 213 B7R0.4 CCCCCC(=S)O CNP0092443.0 [0,0,1,0,0,0|1,0,1]=3 214 B7R0.4 CCCCCC(C)C CNP0146536.0 [0,0,1,0,0,0|1,0,1]=3 215 B7R0.4 CCCCC[14C](=O)O CNP0563421.0 [0,0,1,0,0,0|1,0,0]=2 216 B7R0.4 CCCCC[C@@H](C)N CNP0336832.2 [0,0,1,0,0,0|1,0,1]=3 217 B7R0.4 CCCCC[C@@H](C)O CNP0256316.1 [0,0,1,0,0,0|0,0,2]=3 218 B7R0.4 CCCCC[C@@H](C)S CNP0076785.2 [0,0,1,0,0,0|0,1,1]=3 219 B7R0.4 CCCCC[C@H](C)N CNP0336832.1 [0,0,1,0,0,0|1,0,1]=3 220 B7R0.4 CCCCC[C@H](C)O CNP0256316.2 [0,0,1,0,0,0|0,0,2]=3 221 B7R0.4 CCCCC[C@H](C)S CNP0076785.1 [0,0,1,0,0,0|0,1,1]=3 222 B7R0.4 CCCCNC(=S)N CNP0137764.0 [0,0,1,0,0,0|2,1,0]=4 223 B7R0.4 CCCCOC(=O)C CNP0158571.0 [0,0,1,0,0,0|1,0,0]=2 224 B7R0.4 CCCCS[S@@+](C)[O-] CNP0566357.1 [0,0,1,0,0,0|2,0,1]=4 225 B7R0.4 CCCCS[S@@H+](C)[O-] CNP0518140.1 [0,0,1,0,0,0|2,0,1]=4 226 B7R0.4 CCCNCC(C)C CNP0333564.0 [0,0,1,0,0,0|2,0,1]=4 227 B7R0.4 CCCSCC(C)C CNP0116113.0 [0,0,1,0,0,0|2,0,1]=4 228 B7R0.4 CCCSOC(=O)C CNP0411356.0 [0,0,1,0,0,0|2,0,0]=3 229 B7R0.4 CCNCCC(C)C CNP0184897.0 [0,0,1,0,0,0|2,0,1]=4 230 B7R0.4 CCNCNC(=O)N CNP0182596.0 [0,0,1,0,0,0|3,0,0]=4 231 B7R0.4 CCOCC=C(C)C CNP0002719.0 [0,0,1,0,0,0|2,0,1]=4 232 B7R0.4 CCOCCC(=O)C CNP0086134.0 [0,0,1,0,0,0|1,0,0]=2 233 B7R0.4 CCOCCC(=O)O CNP0566237.0 [0,0,1,0,0,0|2,0,0]=3 234 B7R0.4 CCOCCC(C)C CNP0032749.0 [0,0,1,0,0,0|2,0,1]=4 235 B7R0.4 CNCCCC(=O)O CNP0216187.0 [0,0,1,0,0,0|2,0,0]=3 236 B7R0.4 COCCCC(=O)C CNP0580201.0 [0,0,1,0,0,0|1,0,0]=2 237 B7R0.4 COCCOC(=O)C CNP0278807.0 [0,0,1,0,0,0|2,0,0]=3 238 B7R0.4 N#CCCCC(=O)N CNP0321231.0 [0,0,1,0,0,0|2,0,1]=4 239 B7R0.4 N#CCCCC(=O)O CNP0192028.0 [0,0,1,0,0,0|2,0,1]=4 240 B7R0.4 NC(=O)COCCO CNP0488363.0 [0,0,1,0,0,0|3,0,0]=4 241 B7R0.4 NCCCCC(=O)N CNP0001733.0 [0,0,1,0,0,0|2,0,0]=3 242 B7R0.4 NCCCCC(=O)O CNP0167970.0 [0,0,1,0,0,0|2,0,0]=3 243 B7R0.4 NCCNCC(=O)O CNP0461877.0 [0,0,1,0,0,0|3,0,0]=4 244 B7R0.4 O=C(O)CCCCO CNP0601188.0 [0,0,1,0,0,0|2,0,0]=3 245 B7R0.4 O=C(O)CNCCO CNP0333030.0 [0,0,1,0,0,0|3,0,0]=4 246 B7R0.4 O=CCCCC(=O)O CNP0051154.0 [0,0,1,0,0,0|2,0,1]=4 247 B7R0.4 [CH2]CCCCC(C)C CNP0488090.0 [0,0,1,0,0,0|1,0,1]=3 248 B7R0.7 C=C(CCC)CCC CNP0515689.0 [0,0,1,0,0,0|1,0,0]=2 249 B7R0.7 C=C(OCC)OCC CNP0510072.0 [0,0,1,0,0,0|3,0,0]=4 250 B7R0.7 C=CCC(=CCC)C CNP0076324.0 [0,0,1,0,0,0|1,0,2]=4 251 B7R0.7 C=CCC(=O)OCC CNP0305215.0 [0,0,1,0,0,0|1,0,2]=4 252 B7R0.7 CC(=CC=O)CCO CNP0162817.0 [0,0,1,0,0,0|1,0,2]=4 253 B7R0.7 CC=CC(=O)CCC CNP0003369.0 [0,0,1,0,0,0|0,0,2]=3 254 B7R0.7 CC=CC(=O)OCC CNP0251499.0 [0,0,1,0,0,0|1,0,2]=4 255 B7R0.7 CC=CC(C)CCC CNP0084706.0 [0,0,1,0,0,0|1,0,1]=3 256 B7R0.7 CC=CC(O)CCC CNP0324750.0 [0,0,1,0,0,0|2,0,1]=4 257 B7R0.7 CCC=C(C)CCC CNP0345457.0 [0,0,1,0,0,0|1,0,1]=3 258 B7R0.7 CCCC(=O)CCC CNP0310318.0 [0,0,1,0,0,0|0,0,0]=1 259 B7R0.7 CCCC(=O)OCC CNP0232050.0 [0,0,1,0,0,0|1,0,0]=2 260 B7R0.7 CCCC(=S)OCC CNP0612025.0 [0,0,1,0,0,0|1,1,0]=3 261 B7R0.7 CCCC(C)CC=O CNP0405888.0 [0,0,1,0,0,0|0,0,0]=1 262 B7R0.7 CCCC(C)CCC CNP0137963.0 [0,0,1,0,0,0|1,0,1]=3 263 B7R0.7 CCCC(O)CCC CNP0407378.0 [0,0,1,0,0,0|0,0,2]=3 264 B7R0.7 CCC[C@@H](C)CCO CNP0076379.1 [0,0,1,0,0,0|0,0,2]=3 265 B7R0.7 CCC[C@@H](C)SCC CNP0322285.1 [0,0,1,0,0,0|2,0,1]=4 266 B7R0.7 CCC[C@@H](S)CCO CNP0156811.1 [0,0,1,0,0,0|1,0,2]=4 267 B7R0.7 CCC[C@H](C)CCO CNP0076379.2 [0,0,1,0,0,0|0,0,2]=3 268 B7R0.7 CCC[C@H](C)OCC CNP0076637.1 [0,0,1,0,0,0|2,0,1]=4 269 B7R0.7 CCC[C@H](S)CCO CNP0156811.2 [0,0,1,0,0,0|1,0,2]=4 270 B7R0.7 CCOC(=O)CCS CNP0347470.0 [0,0,1,0,0,0|2,0,0]=3 271 B7R0.7 CCOC(=O)CNC CNP0575591.0 [0,0,1,0,0,0|2,0,0]=3 272 B7R0.7 CCOC(=O)CSC CNP0330528.0 [0,0,1,0,0,0|2,0,0]=3 273 B7R0.7 CCOC(=O)OCC CNP0167765.0 [0,0,1,0,0,0|2,0,0]=3 274 B7R0.7 CCOP(=O)OCC CNP0575132.0 [0,0,1,0,0,0|3,0,0]=4 275 B9R2.39 O=C1C[C@H]2CC[C@@H]1C2 CNP0573835.1 [0,0,0,1,0,0|0,0,0]=1 276 B9R2.109 O=C1CCCC2C1O2 CNP0592091.0 [0,0,0,1,0,0|1,0,0]=2 277 B9R2.109 O=C1NCCC2C1C2 CNP0426975.0 [0,0,0,1,0,0|1,0,0]=2 278 B9R2.109 O=C1NCC[C@H]2[C@@H]1O2 CNP0461843.1 [0,0,0,1,0,0|2,0,0]=3 279 B7R1.2 CC1=CC(=O)CC1 CNP0317275.0 [0,0,0,0,1,0|0,0,2]=3 280 B7R1.2 CC1=CC(=O)CO1 CNP0257916.0 [0,0,0,0,1,0|1,0,2]=4 281 B7R1.2 CC1=CC(=O)OC1 CNP0565176.0 [0,0,0,0,1,0|1,0,2]=4 282 B7R1.2 CC1=CC(=S)CC1 CNP0042519.0 [0,0,0,0,1,0|0,1,2]=4 283 B7R1.2 CC1=CCC(=O)O1 CNP0256319.0 [0,0,0,0,1,0|1,0,2]=4 284 B7R1.2 CC1=NC(CN1)C CNP0564639.0 [0,0,0,0,1,0|3,0,0]=4 285 B7R1.2 CC1=NC(OC1)C CNP0002478.0 [0,0,0,0,1,0|3,0,0]=4 286 B7R1.2 CC1=NC(SC1)C CNP0372580.0 [0,0,0,0,1,0|3,0,0]=4 287 B7R1.2 CC1=NC[C@@H](N1)C CNP0268657.1 [0,0,0,0,1,0|3,0,0]=4 288 B7R1.2 CC1C=C(CC1)O CNP0082123.0 [0,0,0,0,1,0|0,0,2]=3 289 B7R1.2 CC1C=CC(=O)O1 CNP0003646.0 [0,0,0,0,1,0|1,0,2]=4 290 B7R1.2 CC1CC(=CS1)S CNP0301304.0 [0,0,0,0,1,0|1,1,1]=4 291 B7R1.2 CC1CCC(=O)C1 CNP0601005.0 [0,0,0,0,1,0|0,0,0]=1 292 B7R1.2 CC1CCC(=O)S1 CNP0014457.0 [0,0,0,0,1,0|1,0,0]=2 293 B7R1.2 CC1CCC(C1)O CNP0608388.0 [0,0,0,0,1,0|0,0,2]=3 294 B7R1.2 CC1CCC(S1)C CNP0003500.0 [0,0,0,0,1,0|2,0,1]=4 295 B7R1.2 CC1CNC(=O)C1 CNP0609130.0 [0,0,0,0,1,0|1,0,0]=2 296 B7R1.2 CC1COC(=O)O1 CNP0609065.0 [0,0,0,0,1,0|2,0,0]=3 297 B7R1.2 C[C@@H]1CCC(=O)O1 CNP0123835.1 [0,0,0,0,1,0|1,0,0]=2 298 B7R1.2 C[C@@H]1CC[C@@H](C1)C CNP0177457.1 [0,0,0,0,1,0|1,0,1]=3 299 B7R1.2 C[C@@H]1CC[C@@H](O1)C CNP0230648.1 [0,0,0,0,1,0|2,0,1]=4 300 B7R1.2 C[C@@H]1COC(=O)C1 CNP0323281.1 [0,0,0,0,1,0|1,0,0]=2 301 B7R1.2 C[C@H]1CCC(=O)O1 CNP0123835.2 [0,0,0,0,1,0|1,0,0]=2 302 B7R1.2 C[C@H]1COC(=O)C1 CNP0323281.2 [0,0,0,0,1,0|1,0,0]=2 303 B7R1.2 C[C@H]1COC(=S)N1 CNP0279656.1 [0,0,0,0,1,0|2,1,0]=4 304 B7R1.2 O=C1C=CC(C1)O CNP0594515.0 [0,0,0,0,1,0|1,0,2]=4 305 B7R1.2 O=C1CCC(=N1)O CNP0237840.0 [0,0,0,0,1,0|2,0,1]=4 306 B7R1.2 O=C1CCC(=O)C1 CNP0171251.0 [0,0,0,0,1,0|1,0,1]=3 307 B7R1.2 O=C1CCC(=O)N1 CNP0490149.0 [0,0,0,0,1,0|2,0,1]=4 308 B7R1.2 O=C1CCC(=O)O1 CNP0079889.0 [0,0,0,0,1,0|2,0,1]=4 309 B7R1.2 O=C1CC[C@@H](N1)O CNP0286097.2 [0,0,0,0,1,0|2,0,0]=3 310 B7R1.2 O=C1CC[C@H](N1)O CNP0286097.1 [0,0,0,0,1,0|2,0,0]=3 311 B7R1.2 O=C1C[C@@H](CN1)O CNP0188830.1 [0,0,0,0,1,0|2,0,0]=3 312 B7R1.2 O=C1C[C@@H](CO1)O CNP0174638.1 [0,0,0,0,1,0|2,0,0]=3 313 B7R1.2 O=C1C[C@H](CN1)O CNP0188830.2 [0,0,0,0,1,0|2,0,0]=3 314 B7R1.2 O=C1C[C@H](CO1)O CNP0174638.2 [0,0,0,0,1,0|2,0,0]=3 315 B7R1.2 OC1=NC(CC1)O CNP0547002.0 [0,0,0,0,1,0|2,0,1]=4 316 B7R1.4 C=C1CCOC1=O CNP0195400.0 [0,0,0,0,1,0|1,0,2]=4 317 B7R1.4 C=C1COC[C@H]1O CNP0219379.1 [0,0,0,0,1,0|3,0,0]=4 318 B7R1.4 CC1=C(CCC1)C CNP0231911.0 [0,0,0,0,1,0|1,0,1]=3 319 B7R1.4 CC1=C(CCO1)S CNP0002471.0 [0,0,0,0,1,0|1,1,1]=4 320 B7R1.4 CC1=C(CCS1)S CNP0191881.0 [0,0,0,0,1,0|1,1,1]=4 321 B7R1.4 CC1=CCCC1=O CNP0196465.0 [0,0,0,0,1,0|0,0,2]=3 322 B7R1.4 CC1=CCOC1=O CNP0216253.0 [0,0,0,0,1,0|1,0,2]=4 323 B7R1.4 CC1=NCNC1=O CNP0353390.0 [0,0,0,0,1,0|2,0,1]=4 324 B7R1.4 CC1COCC1=O CNP0611227.0 [0,0,0,0,1,0|1,0,0]=2 325 B7R1.4 CC1OCCC1O CNP0002607.0 [0,0,0,0,1,0|1,0,2]=4 326 B7R1.4 CC1OCCC1S CNP0002942.0 [0,0,0,0,1,0|1,1,1]=4 327 B7R1.4 CC1SCCC1=O CNP0395315.0 [0,0,0,0,1,0|1,0,0]=2 328 B7R1.4 CC1SCCC1O CNP0179885.0 [0,0,0,0,1,0|1,0,2]=4 329 B7R1.4 CC1SCCC1S CNP0002610.0 [0,0,0,0,1,0|1,1,1]=4 330 B7R1.4 CN1CC=CC1=O CNP0611983.0 [0,0,0,0,1,0|1,0,2]=4 331 B7R1.4 CN1CCCC1=O CNP0203476.0 [0,0,0,0,1,0|1,0,0]=2 332 B7R1.4 CN1CCOC1=S CNP0208839.0 [0,0,0,0,1,0|2,1,0]=4 333 B7R1.4 C[C@@H]1CCCC1=O CNP0165073.2 [0,0,0,0,1,0|0,0,0]=1 334 B7R1.4 C[C@@H]1CCC[C@@H]1C CNP0306021.2 [0,0,0,0,1,0|1,0,1]=3 335 B7R1.4 C[C@@H]1CCC[C@H]1C CNP0306021.3 [0,0,0,0,1,0|1,0,1]=3 336 B7R1.4 C[C@@H]1CCC[C@H]1O CNP0569064.1 [0,0,0,0,1,0|0,0,2]=3 337 B7R1.4 C[C@@H]1CCOC1=O CNP0290908.1 [0,0,0,0,1,0|1,0,0]=2 338 B7R1.4 C[C@@H]1OCCC1=O CNP0116291.1 [0,0,0,0,1,0|1,0,0]=2 339 B7R1.4 C[C@H]1CCCC1=O CNP0165073.1 [0,0,0,0,1,0|0,0,0]=1 340 B7R1.4 C[C@H]1CCC[C@@H]1C CNP0306021.1 [0,0,0,0,1,0|1,0,1]=3 341 B7R1.4 C[C@H]1CCOC1=O CNP0290908.2 [0,0,0,0,1,0|1,0,0]=2 342 B7R1.4 C[C@H]1OCCC1=O CNP0116291.2 [0,0,0,0,1,0|1,0,0]=2 343 B7R1.4 N[C@@H]1CCOC1=O CNP0258027.3 [0,0,0,0,1,0|2,0,0]=3 344 B7R1.4 N[C@@H]1CONC1=O CNP0204572.1 [0,0,0,0,1,0|3,0,0]=4 345 B7R1.4 N[C@H]1CCOC1=O CNP0258027.2 [0,0,0,0,1,0|2,0,0]=3 346 B7R1.4 N[C@H]1CCSC1=O CNP0082695.1 [0,0,0,0,1,0|2,0,0]=3 347 B7R1.4 N[C@H]1CONC1=O CNP0204572.2 [0,0,0,0,1,0|3,0,0]=4 348 B7R1.4 O=C1CCC=C1O CNP0104225.0 [0,0,0,0,1,0|1,0,2]=4 349 B7R1.4 O=C1CCCC1=O CNP0086052.0 [0,0,0,0,1,0|1,0,1]=3 350 B7R1.4 O=C1COCC1S CNP0188638.0 [0,0,0,0,1,0|2,0,0]=3 351 B7R1.4 O=C1NCC[C@H]1O CNP0289134.1 [0,0,0,0,1,0|2,0,0]=3 352 B7R1.4 OC1CCCC1O CNP0519159.0 [0,0,0,0,1,0|1,0,2]=4 353 B7R1.4 SC1CCCC1S CNP0098071.0 [0,0,0,0,1,0|1,1,1]=4 354 B9R1.48 CC1=CC(=O)NCCC1 CNP0425910.0 [0,0,0,0,0,1|0,0,2]=3 355 B9R1.48 CC1CCCCC(=O)C1 CNP0513414.0 [0,0,0,0,0,1|0,0,0]=1 356 B9R1.48 C[C@H]1CCCCC(=O)O1 CNP0109717.1 [0,0,0,0,0,1|1,0,0]=2 357 B9R1.48 O=C1CCCCC(=O)C1 CNP0554115.0 [0,0,0,0,0,1|1,0,1]=3 358 B9R1.48 O=C1CCCCC(=O)O1 CNP0322939.0 [0,0,0,0,0,1|2,0,1]=4 359 B9R1.48 O=C1CCCNC(=O)N1 CNP0110595.0 [0,0,0,0,0,1|2,0,1]=4 360 B9R1.49 C=C1CCCC(CC1)C CNP0586791.0 [0,0,0,0,0,1|1,0,0]=2 361 B6R0.1 C=C([CH]CC)CC CNP0529223.0 [1,0,1,0,0,0|1,0,1]=4 362 B6R0.1 C=CC(=O)CCC CNP0162905.0 [1,0,1,0,0,0|0,0,2]=4 363 B6R0.1 C=CCC(=O)CC CNP0580605.0 [1,0,1,0,0,0|0,0,2]=4 364 B6R0.1 C=CC[C@H](C)C=O CNP0283012.1 [1,0,1,0,0,0|0,0,2]=4 365 B6R0.1 C=C[C@H](O)CCC CNP0193104.1 [1,0,1,0,0,0|1,0,1]=4 366 B6R0.1 CC=CC(=O)CC CNP0127812.0 [1,0,1,0,0,0|0,0,2]=4 367 B6R0.1 CCC(=O)CSC CNP0170567.0 [1,0,1,0,0,0|1,0,0]=3 368 B6R0.1 CCC(C)CC=O CNP0531748.0 [1,0,1,0,0,0|0,0,0]=2 369 B6R0.1 CCC(C)NC=O CNP0583042.0 [1,0,1,0,0,0|1,0,0]=3 370 B6R0.1 CCC(C)OC=O CNP0570369.0 [1,0,1,0,0,0|1,0,0]=3 371 B6R0.1 CCC(C)ON=O CNP0521211.0 [1,0,1,0,0,0|2,0,0]=4 372 B6R0.1 CCC=C(C)C=O CNP0245615.0 [1,0,1,0,0,0|0,0,2]=4 373 B6R0.1 CCCC(=O)C#N CNP0204240.0 [1,0,1,0,0,0|1,0,1]=4 374 B6R0.1 CCCC(=O)C=O CNP0111121.0 [1,0,1,0,0,0|1,0,1]=4 375 B6R0.1 CCCC(=O)CC CNP0248158.0 [1,0,1,0,0,0|0,0,0]=2 376 B6R0.1 CCCC(=O)CO CNP0084314.0 [1,0,1,0,0,0|1,0,0]=3 377 B6R0.1 CCCC(=O)OC CNP0159910.0 [1,0,1,0,0,0|1,0,0]=3 378 B6R0.1 CCCC(=O)SC CNP0084452.0 [1,0,1,0,0,0|1,0,0]=3 379 B6R0.1 CCCC(C)C#N CNP0583202.0 [1,0,1,0,0,0|1,0,1]=4 380 B6R0.1 CCC[C@@H](C)C=O CNP0370387.1 [1,0,1,0,0,0|0,0,0]=2 381 B6R0.1 CCC[C@@H](C)CC CNP0407855.1 [1,0,1,0,0,0|0,0,1]=3 382 B6R0.1 CCC[C@@H](C)CO CNP0356704.1 [1,0,1,0,0,0|0,0,1]=3 383 B6R0.1 CCC[C@@H](C)SC CNP0188673.1 [1,0,1,0,0,0|1,0,1]=4 384 B6R0.1 CCC[C@@H](O)CC CNP0346810.2 [1,0,1,0,0,0|0,0,2]=4 385 B6R0.1 CCC[C@H](C)CC CNP0407855.2 [1,0,1,0,0,0|0,0,1]=3 386 B6R0.1 CCC[C@H](C)CO CNP0356704.2 [1,0,1,0,0,0|0,0,1]=3 387 B6R0.1 CCC[C@H](C)NC CNP0298650.1 [1,0,1,0,0,0|1,0,1]=4 388 B6R0.1 CCC[C@H](O)CC CNP0346810.1 [1,0,1,0,0,0|0,0,2]=4 389 B6R0.1 CCNC(=O)CC CNP0586892.0 [1,0,1,0,0,0|1,0,0]=3 390 B6R0.1 CCNC(=O)OC CNP0585352.0 [1,0,1,0,0,0|2,0,0]=4 391 B6R0.1 CCOC(=O)CC CNP0169171.0 [1,0,1,0,0,0|1,0,0]=3 392 B6R0.1 CCOC(=O)CI CNP0158474.0 [1,0,1,0,0,0|2,0,0]=4 393 B6R0.1 CCOC(=O)NC CNP0565390.0 [1,0,1,0,0,0|2,0,0]=4 394 B6R0.1 CCOC(C)CC CNP0086282.0 [1,0,1,0,0,0|1,0,1]=4 395 B6R0.1 CCSC(=O)CC CNP0265303.0 [1,0,1,0,0,0|1,0,0]=3 396 B6R0.1 CC[C@@H](C)CCO CNP0260863.2 [1,0,1,0,0,0|0,0,2]=4 397 B6R0.1 CC[C@@H](C)SSC CNP0348346.1 [1,0,1,0,0,0|2,0,0]=4 398 B6R0.1 CC[C@H](C)CCO CNP0260863.1 [1,0,1,0,0,0|0,0,2]=4 399 B6R0.1 CNCC(=O)OC CNP0311286.0 [1,0,1,0,0,0|2,0,0]=4 400 B6R0.1 COC(=O)CSC CNP0189712.0 [1,0,1,0,0,0|2,0,0]=4 401 B6R0.1 COCC(=O)OC CNP0202591.0 [1,0,1,0,0,0|2,0,0]=4 402 B6R0.1 CSC(C)CC=O CNP0002406.0 [1,0,1,0,0,0|1,0,0]=3 403 B6R0.2 C=C(C)CC(=O)C CNP0331918.0 [1,0,1,0,0,0|0,0,2]=4 404 B6R0.2 CC(=CC(C)C)C CNP0084966.0 [1,0,1,0,0,0|1,0,1]=4 405 B6R0.2 CC(=C[13C](=O)C)C CNP0541964.0 [1,0,1,0,0,0|0,0,2]=4 406 B6R0.2 CC(=N)CC(=O)C CNP0178786.0 [1,0,1,0,0,0|1,0,1]=4 407 B6R0.2 CC(=O)C=C(C)C CNP0258331.0 [1,0,1,0,0,0|0,0,2]=4 408 B6R0.2 CC(=O)CC(=O)C CNP0267628.0 [1,0,1,0,0,0|1,0,1]=4 409 B6R0.2 CC(=O)CC(C)C CNP0178924.0 [1,0,1,0,0,0|0,0,0]=2 410 B6R0.2 CC(=O)C[C@@H](C)O CNP0209002.1 [1,0,1,0,0,0|1,0,0]=3 411 B6R0.2 CC(=O)C[C@H](C)O CNP0209002.2 [1,0,1,0,0,0|1,0,0]=3 412 B6R0.2 CC(=O)OC(C)C CNP0234567.0 [1,0,1,0,0,0|1,0,0]=3 413 B6R0.2 CC(=S)OC(C)C CNP0539735.0 [1,0,1,0,0,0|1,1,0]=4 414 B6R0.2 CC(C)CC(=O)N CNP0512695.0 [1,0,1,0,0,0|1,0,0]=3 415 B6R0.2 CC(C)CC(C)C CNP0241759.0 [1,0,1,0,0,0|1,0,1]=4 416 B6R0.2 CC(C)CC(C)O CNP0493734.0 [1,0,1,0,0,0|0,0,2]=4 417 B6R0.2 CC(C)C[C@@H](C)N CNP0556567.1 [1,0,1,0,0,0|1,0,1]=4 418 B6R0.2 CC(C)C[S@@+](C)[O-] CNP0553779.1 [1,0,1,0,0,0|1,0,1]=4 419 B6R0.2 CC(C)C[S@@H+](C)[O-] CNP0593384.1 [1,0,1,0,0,0|1,0,1]=4 420 B6R0.2 CC(C)NC(=O)N CNP0331187.0 [1,0,1,0,0,0|2,0,0]=4 421 B6R0.2 CC(O)CC(=O)N CNP0217857.0 [1,0,1,0,0,0|2,0,0]=4 422 B6R0.2 CN(C)CC(=O)Cl CNP0017846.0 [1,0,1,0,0,0|2,0,0]=4 423 B6R0.2 CN(C)CC(=O)N CNP0045146.0 [1,0,1,0,0,0|2,0,0]=4 424 B6R0.2 CN(C)CC(=O)O CNP0175140.0 [1,0,1,0,0,0|2,0,0]=4 425 B6R0.2 C[C@@H](N)CC(=O)O CNP0287180.2 [1,0,1,0,0,0|2,0,0]=4 426 B6R0.2 C[C@@H](O)CC(=O)O CNP0161860.1 [1,0,1,0,0,0|2,0,0]=4 427 B6R0.2 C[C@H](N)CC(=O)O CNP0287180.1 [1,0,1,0,0,0|2,0,0]=4 428 B6R0.2 C[C@H](O)CC(=O)O CNP0161860.2 [1,0,1,0,0,0|2,0,0]=4 429 B6R0.2 C[C@H]([13CH3])CC(=O)O CNP0175489.1 [1,0,1,0,0,0|1,0,0]=3 430 B6R0.2 C[C](C)CC(=O)O CNP0606523.0 [1,0,1,0,0,0|1,0,1]=4 431 B6R0.2 C[S+](C)CC(=O)O CNP0149325.0 [1,0,1,0,0,0|2,0,0]=4 432 B6R0.2 C[S+](C)CC(=O)[O-] CNP0153505.0 [1,0,1,0,0,0|2,0,0]=4 433 B6R0.4 C=C(C)CCSC CNP0330891.0 [1,0,1,0,0,0|2,0,0]=4 434 B6R0.4 C=CCCC(=O)C CNP0610109.0 [1,0,1,0,0,0|0,0,2]=4 435 B6R0.4 C=CCCC(C)O CNP0519217.0 [1,0,1,0,0,0|1,0,1]=4 436 B6R0.4 C=CCSC(C)C CNP0309084.0 [1,0,1,0,0,0|1,0,1]=4 437 B6R0.4 CC(=CCC=O)C CNP0094675.0 [1,0,1,0,0,0|0,0,2]=4 438 B6R0.4 CC(=O)CCC=O CNP0261239.0 [1,0,1,0,0,0|1,0,1]=4 439 B6R0.4 CC(=O)NCCN CNP0182526.0 [1,0,1,0,0,0|2,0,0]=4 440 B6R0.4 CC(=O)NCCO CNP0304709.0 [1,0,1,0,0,0|2,0,0]=4 441 B6R0.4 CC(=O)NCCS CNP0516453.0 [1,0,1,0,0,0|2,0,0]=4 442 B6R0.4 CC(=O)OCCI CNP0274212.0 [1,0,1,0,0,0|2,0,0]=4 443 B6R0.4 CC(=O)OCCN CNP0165405.0 [1,0,1,0,0,0|2,0,0]=4 444 B6R0.4 CC(=O)OCCO CNP0589275.0 [1,0,1,0,0,0|2,0,0]=4 445 B6R0.4 CC(C)C=CC=O CNP0003528.0 [1,0,1,0,0,0|0,0,2]=4 446 B6R0.4 CC(C)CC=NO CNP0235743.0 [1,0,1,0,0,0|2,0,0]=4 447 B6R0.4 CC(C)CCC#N CNP0386277.0 [1,0,1,0,0,0|1,0,1]=4 448 B6R0.4 CC(C)CCC=O CNP0198082.0 [1,0,1,0,0,0|0,0,0]=2 449 B6R0.4 CC(C)CCCO CNP0344466.0 [1,0,1,0,0,0|0,0,1]=3 450 B6R0.4 CC(C)CNC=O CNP0473867.0 [1,0,1,0,0,0|1,0,0]=3 451 B6R0.4 CC(C)COC=O CNP0232692.0 [1,0,1,0,0,0|1,0,0]=3 452 B6R0.4 CC(C)CON=O CNP0224607.0 [1,0,1,0,0,0|2,0,0]=4 453 B6R0.4 CC(C)NCCN CNP0082470.0 [1,0,1,0,0,0|2,0,0]=4 454 B6R0.4 CC(C)NCCO CNP0141461.0 [1,0,1,0,0,0|1,0,1]=4 455 B6R0.4 CC(C)OCCO CNP0079907.0 [1,0,1,0,0,0|1,0,1]=4 456 B6R0.4 CC=CCC(C)C CNP0081831.0 [1,0,1,0,0,0|0,0,1]=3 457 B6R0.4 CC=CCC(C)O CNP0217280.0 [1,0,1,0,0,0|1,0,1]=4 458 B6R0.4 CCC=CC(=O)C CNP0129352.0 [1,0,1,0,0,0|0,0,2]=4 459 B6R0.4 CCCC=C(C)O CNP0268446.0 [1,0,1,0,0,0|0,0,2]=4 460 B6R0.4 CCCCC(=O)C CNP0194685.0 [1,0,1,0,0,0|0,0,0]=2 461 B6R0.4 CCCCC(=O)N CNP0248834.0 [1,0,1,0,0,0|1,0,0]=3 462 B6R0.4 CCCCC(=O)O CNP0144818.0 [1,0,1,0,0,0|1,0,0]=3 463 B6R0.4 CCCCC(C)C CNP0312749.0 [1,0,1,0,0,0|0,0,1]=3 464 B6R0.4 CCCC[11C](=O)O CNP0540258.0 [1,0,1,0,0,0|1,0,0]=3 465 B6R0.4 CCCC[C@@H](C)O CNP0276755.1 [1,0,1,0,0,0|0,0,2]=4 466 B6R0.4 CCCC[C@H](C)O CNP0276755.2 [1,0,1,0,0,0|0,0,2]=4 467 B6R0.4 CCCNC(=O)C CNP0115400.0 [1,0,1,0,0,0|1,0,0]=3 468 B6R0.4 CCCOC(=O)C CNP0274142.0 [1,0,1,0,0,0|1,0,0]=3 469 B6R0.4 CCCSC(=O)C CNP0076500.0 [1,0,1,0,0,0|1,0,0]=3 470 B6R0.4 CCCSC(C)C CNP0228244.0 [1,0,1,0,0,0|1,0,1]=4 471 B6R0.4 CCNCC(=O)O CNP0076362.0 [1,0,1,0,0,0|2,0,0]=4 472 B6R0.4 CCNCC(C)C CNP0165310.0 [1,0,1,0,0,0|1,0,0]=3 473 B6R0.4 CCOCC(=O)N CNP0329352.0 [1,0,1,0,0,0|2,0,0]=4 474 B6R0.4 CCOCC(=O)O CNP0229583.0 [1,0,1,0,0,0|2,0,0]=4 475 B6R0.4 CCOC[C@@H](C)O CNP0076159.1 [1,0,1,0,0,0|2,0,0]=4 476 B6R0.4 CCSCC(C)C CNP0208462.0 [1,0,1,0,0,0|1,0,0]=3 477 B6R0.4 CCSSC(C)C CNP0003135.0 [1,0,1,0,0,0|2,0,0]=4 478 B6R0.4 CNCCC(=O)O CNP0502963.0 [1,0,1,0,0,0|2,0,0]=4 479 B6R0.4 CNCCC(C)C CNP0254439.0 [1,0,1,0,0,0|1,0,1]=4 480 B6R0.4 COCCC(C)C CNP0316382.0 [1,0,1,0,0,0|1,0,1]=4 481 B6R0.4 CSCCC(=O)C CNP0353152.0 [1,0,1,0,0,0|1,0,0]=3 482 B6R0.4 CSCCC(=O)N CNP0220146.0 [1,0,1,0,0,0|2,0,0]=4 483 B6R0.4 CSCCC(=O)O CNP0143779.0 [1,0,1,0,0,0|2,0,0]=4 484 B6R0.4 CSCSC(=O)C CNP0232862.0 [1,0,1,0,0,0|2,0,0]=4 485 B6R0.4 C[N+]CCC(=O)[O-] CNP0588104.0 [1,0,1,0,0,0|2,0,0]=4 486 B6R0.4 C[S+](C)CCC=O CNP0136791.0 [1,0,1,0,0,0|1,0,0]=3 487 B6R0.4 NC(=O)CCCO CNP0573523.0 [1,0,1,0,0,0|2,0,0]=4 488 B6R0.4 NCCCC(=O)O CNP0116256.0 [1,0,1,0,0,0|2,0,0]=4 489 B6R0.4 O=C(O)CCCO CNP0236331.0 [1,0,1,0,0,0|2,0,0]=4 490 B6R0.4 O=C([O-])CCCO CNP0492590.0 [1,0,1,0,0,0|2,0,0]=4 491 B6R0.6 C=CCCCCC CNP0226691.0 [1,0,1,0,0,0|0,0,1]=3 492 B6R0.6 C=CCCCCO CNP0162421.0 [1,0,1,0,0,0|1,0,1]=4 493 B6R0.6 C=CCSCCC CNP0150756.0 [1,0,1,0,0,0|1,0,1]=4 494 B6R0.6 C=COCCCC CNP0077236.0 [1,0,1,0,0,0|1,0,1]=4 495 B6R0.6 CC=CCCC=O CNP0056069.0 [1,0,1,0,0,0|0,0,2]=4 496 B6R0.6 CC=CCCCC CNP0158475.0 [1,0,1,0,0,0|0,0,1]=3 497 B6R0.6 CC=CCCCO CNP0309139.0 [1,0,1,0,0,0|1,0,1]=4 498 B6R0.6 CC=CCSCC CNP0575773.0 [1,0,1,0,0,0|1,0,1]=4 499 B6R0.6 CC=CSCCC CNP0320861.0 [1,0,1,0,0,0|1,0,1]=4 500 B6R0.6 CCC=CCC=O CNP0227189.0 [1,0,1,0,0,0|0,0,2]=4 501 B6R0.6 CCC=CCCC CNP0391454.0 [1,0,1,0,0,0|0,0,1]=3 502 B6R0.6 CCC=CCCO CNP0255718.0 [1,0,1,0,0,0|1,0,1]=4 503 B6R0.6 CCCC=CC=O CNP0263913.0 [1,0,1,0,0,0|0,0,2]=4 504 B6R0.6 CCCC=CCO CNP0254124.0 [1,0,1,0,0,0|1,0,1]=4 505 B6R0.6 CCCCC=CO CNP0511187.0 [1,0,1,0,0,0|0,0,2]=4 506 B6R0.6 CCCCCC#N CNP0412353.0 [1,0,1,0,0,0|1,0,1]=4 507 B6R0.6 CCCCCC=O CNP0304790.0 [1,0,1,0,0,0|0,0,0]=2 508 B6R0.6 CCCCCCC CNP0290800.0 [1,0,1,0,0,0|0,0,1]=3 509 B6R0.6 CCCCCCN CNP0213933.0 [1,0,1,0,0,0|1,0,1]=4 510 B6R0.6 CCCCCCO CNP0317600.0 [1,0,1,0,0,0|0,0,2]=4 511 B6R0.6 CCCCCCS CNP0167948.0 [1,0,1,0,0,0|0,1,1]=4 512 B6R0.6 CCCCCC[O-] CNP0579903.0 [1,0,1,0,0,0|0,0,2]=4 513 B6R0.6 CCCCCNC CNP0276164.0 [1,0,1,0,0,0|1,0,0]=3 514 B6R0.6 CCCCCOC CNP0358174.0 [1,0,1,0,0,0|1,0,0]=3 515 B6R0.6 CCCCCSC CNP0293012.0 [1,0,1,0,0,0|1,0,0]=3 516 B6R0.6 CCCCCSS CNP0228282.0 [1,0,1,0,0,0|1,1,0]=4 517 B6R0.6 CCCCNC=O CNP0082472.0 [1,0,1,0,0,0|1,0,0]=3 518 B6R0.6 CCCCOC=O CNP0282325.0 [1,0,1,0,0,0|1,0,0]=3 519 B6R0.6 CCCCON=O CNP0003508.0 [1,0,1,0,0,0|2,0,0]=4 520 B6R0.6 CCCCSSC CNP0532819.0 [1,0,1,0,0,0|2,0,0]=4 521 B6R0.6 CCCNCCC CNP0129820.0 [1,0,1,0,0,0|1,0,0]=3 522 B6R0.6 CCCOCCO CNP0079853.0 [1,0,1,0,0,0|2,0,0]=4 523 B6R0.6 CCCSCCC CNP0173387.0 [1,0,1,0,0,0|1,0,0]=3 524 B6R0.6 CCCSSCC CNP0322971.0 [1,0,1,0,0,0|2,0,0]=4 525 B6R0.6 CNCCCCN CNP0157274.0 [1,0,1,0,0,0|2,0,0]=4 526 B6R0.6 COCCCCO CNP0570905.0 [1,0,1,0,0,0|2,0,0]=4 527 B6R0.6 CSCCCC=O CNP0002814.0 [1,0,1,0,0,0|1,0,0]=3 528 B6R0.6 CSCCCCO CNP0002400.0 [1,0,1,0,0,0|2,0,0]=4 529 B6R0.6 NCCCCC=O CNP0083786.0 [1,0,1,0,0,0|1,0,0]=3 530 B6R0.6 O=CCCCC=O CNP0204417.0 [1,0,1,0,0,0|1,0,1]=4 531 B6R1.1 C1=CCCCC1 CNP0275665.0 [2,0,0,0,0,0|0,0,1]=3 532 B6R1.1 C1=CCNCC1 CNP0086452.0 [2,0,0,0,0,0|1,0,1]=4 533 B6R1.1 C1=CNCCC1 CNP0200592.0 [2,0,0,0,0,0|1,0,1]=4 534 B6R1.1 C1=COCCC1 CNP0583467.0 [2,0,0,0,0,0|1,0,1]=4 535 B6R1.1 C1=NCCCC1 CNP0139263.0 [2,0,0,0,0,0|1,0,0]=3 536 B6R1.1 C1CCCCC1 CNP0220772.0 [2,0,0,0,0,0|0,0,1]=3 537 B6R1.1 C1CCNCC1 CNP0153358.0 [2,0,0,0,0,0|1,0,0]=3 538 B6R1.1 C1CCOCC1 CNP0484551.0 [2,0,0,0,0,0|1,0,0]=3 539 B6R1.1 C1CNCCN1 CNP0389558.0 [2,0,0,0,0,0|2,0,0]=4 540 B6R1.1 C1CNCCN1 CNP0554301.0 [2,0,0,0,0,0|2,0,0]=4 541 B6R1.1 C1COCCN1 CNP0167865.0 [2,0,0,0,0,0|2,0,0]=4 542 B6R1.1 C1COCCO1 CNP0353166.0 [2,0,0,0,0,0|2,0,0]=4 543 B6R1.1 C1COCSC1 CNP0517977.0 [2,0,0,0,0,0|2,0,0]=4 544 B6R1.1 C1CSCCS1 CNP0316640.0 [2,0,0,0,0,0|2,0,0]=4 545 B6R1.1 C1CSCSC1 CNP0221424.0 [2,0,0,0,0,0|2,0,0]=4 546 B6R1.1 [CH]1C=CCCC1 CNP0541179.0 [2,0,0,0,0,0|0,0,2]=4 547 B8R0.2 C=C(CC)C(C)C(=O)C CNP0579299.0 [0,1,1,0,0,0|0,0,2]=4 548 B8R0.2 CC(=O)[C@@H](O)[C@H](O)CO CNP0176641.1 [0,1,1,0,0,0|2,0,0]=4 549 B8R0.2 CC(=O)[C@H](O)[C@H](O)CO CNP0176641.2 [0,1,1,0,0,0|2,0,0]=4 550 B8R0.2 CC(C)[C@@H](N)C(=O)NO CNP0510615.1 [0,1,1,0,0,0|2,0,0]=4 551 B8R0.2 CCC(=C(C)C(=O)C)C CNP0598294.0 [0,1,1,0,0,0|0,0,2]=4 552 B8R0.2 CCC(=O)[C@@H](C)C(=O)C CNP0050073.1 [0,1,1,0,0,0|1,0,1]=4 553 B8R0.2 CCC(C)[C@@H](N)C(=O)O CNP0337843.4 [0,1,1,0,0,0|1,0,0]=3 554 B8R0.2 CCC(O)C(O)C(=O)O CNP0042669.0 [0,1,1,0,0,0|2,0,0]=4 555 B8R0.2 CC[C@@H](C)C(=O)C(=O)O CNP0163555.2 [0,1,1,0,0,0|1,0,1]=4 556 B8R0.2 CC[C@@H](C)[C@@H](N)C(=O)O CNP0337843.2 [0,1,1,0,0,0|1,0,0]=3 557 B8R0.2 CC[C@@H](C)[C@@H](O)C(=O)O CNP0290048.1 [0,1,1,0,0,0|1,0,0]=3 558 B8R0.2 CC[C@@H](C)[C@H](N)C(=O)O CNP0337843.3 [0,1,1,0,0,0|1,0,0]=3 559 B8R0.2 CC[C@@H](C)[C@H](O)C(=O)O CNP0290048.3 [0,1,1,0,0,0|1,0,0]=3 560 B8R0.2 CC[C@@H](N)[C@@H](C)C(=O)O CNP0281114.2 [0,1,1,0,0,0|2,0,0]=4 561 B8R0.2 CC[C@@H](O)[C@@H](C)C(=O)O CNP0152762.2 [0,1,1,0,0,0|2,0,0]=4 562 B8R0.2 CC[C@H](C)C(=O)C(=O)O CNP0163555.1 [0,1,1,0,0,0|1,0,1]=4 563 B8R0.2 CC[C@H](C)[C@@H](N)C(=O)O CNP0337843.5 [0,1,1,0,0,0|1,0,0]=3 564 B8R0.2 CC[C@H](C)[C@@H](O)C(=O)O CNP0290048.4 [0,1,1,0,0,0|1,0,0]=3 565 B8R0.2 CC[C@H](C)[C@H](C)C(C)C CNP0324956.1 [0,1,1,0,0,0|1,0,1]=4 566 B8R0.2 CC[C@H](C)[C@H](N)C(=O)O CNP0337843.1 [0,1,1,0,0,0|1,0,0]=3 567 B8R0.2 CC[C@H](C)[C@H](O)C(=O)O CNP0290048.2 [0,1,1,0,0,0|1,0,0]=3 568 B8R0.2 CC[C@H](N)[C@@H](C)C(=O)O CNP0281114.1 [0,1,1,0,0,0|2,0,0]=4 569 B8R0.2 CC[C@H](O)[C@@H](C)C(=O)O CNP0152762.1 [0,1,1,0,0,0|2,0,0]=4 570 B8R0.2 CC[C@H](O)[C@H](N)C(=O)O CNP0172440.1 [0,1,1,0,0,0|2,0,0]=4 571 B8R0.2 COC(=O)C(=O)C(C)C CNP0337448.0 [0,1,1,0,0,0|1,0,1]=4 572 B8R0.2 COC(=O)C(C)C(C)C CNP0354391.0 [0,1,1,0,0,0|1,0,0]=3 573 B8R0.2 COC(=O)C(O)C(C)C CNP0612001.0 [0,1,1,0,0,0|1,0,0]=3 574 B8R0.2 COC(=O)[C@@H](C)[C@H](C)O CNP0193149.3 [0,1,1,0,0,0|2,0,0]=4 575 B8R0.2 COC(=O)[C@@H](N)C(C)C CNP0369647.2 [0,1,1,0,0,0|1,0,0]=3 576 B8R0.2 COC(=O)[C@@H](N)[C@@H](C)O CNP0109671.2 [0,1,1,0,0,0|2,0,0]=4 577 B8R0.2 COC(=O)[C@@H](N)[C@H](C)O CNP0109671.1 [0,1,1,0,0,0|2,0,0]=4 578 B8R0.2 COC(=O)[C@H](C)[C@@H](C)O CNP0193149.2 [0,1,1,0,0,0|2,0,0]=4 579 B8R0.2 COC(=O)[C@H](C)[C@H](C)O CNP0193149.1 [0,1,1,0,0,0|2,0,0]=4 580 B8R0.2 CO[C@H](C)[C@H](N)C(=O)O CNP0138461.1 [0,1,1,0,0,0|2,0,0]=4 581 B8R0.2 C[C@H](CO)[C@H](N)C(=O)O CNP0265775.1 [0,1,1,0,0,0|2,0,0]=4 582 B8R0.5 C=C(C)CC(C)CCC CNP0397067.0 [0,1,1,0,0,0|1,0,0]=3 583 B8R0.5 CCCC(=CC(=O)C)C CNP0608479.0 [0,1,1,0,0,0|0,0,2]=4 584 B8R0.5 CCCC(=O)C=C(C)C CNP0207293.0 [0,1,1,0,0,0|0,0,2]=4 585 B8R0.5 CCCC(=O)CC(=O)C CNP0351307.0 [0,1,1,0,0,0|1,0,1]=4 586 B8R0.5 CCCC(=O)CC(C)C CNP0504556.0 [0,1,1,0,0,0|0,0,0]=2 587 B8R0.5 CCCC(=O)OC(C)C CNP0194975.0 [0,1,1,0,0,0|1,0,0]=3 588 B8R0.5 CCCC(C)CC(=O)C CNP0612236.0 [0,1,1,0,0,0|0,0,0]=2 589 B8R0.5 CCCC(C)CC(C)C CNP0086425.0 [0,1,1,0,0,0|1,0,1]=4 590 B8R0.5 CCCC(C)CC(C)O CNP0100557.0 [0,1,1,0,0,0|0,0,2]=4 591 B8R0.5 CCC[C@@H](O)CC(=O)O CNP0065850.1 [0,1,1,0,0,0|2,0,0]=4 592 B8R0.5 CCC[C@H](C)CC(=O)O CNP0320012.1 [0,1,1,0,0,0|1,0,0]=3 593 B8R0.5 CCC[C@H](C)OC(=O)C CNP0140745.1 [0,1,1,0,0,0|1,0,0]=3 594 B8R0.5 CCC[C@H](O)CC(=O)O CNP0065850.2 [0,1,1,0,0,0|2,0,0]=4 595 B8R0.5 CCOC(=O)C=C(C)C CNP0502082.0 [0,1,1,0,0,0|0,0,2]=4 596 B8R0.5 CCOC(=O)CC(=O)C CNP0003525.0 [0,1,1,0,0,0|1,0,1]=4 597 B8R0.5 CCOC(=O)CC(C)C CNP0224486.0 [0,1,1,0,0,0|0,0,0]=2 598 B8R0.5 CCOC(=O)CC(C)S CNP0121387.0 [0,1,1,0,0,0|1,0,0]=3 599 B8R0.5 CCOC(=O)C[C@@H](C)N CNP0183857.1 [0,1,1,0,0,0|1,0,0]=3 600 B8R0.5 CCOC(=O)C[C@@H](C)O CNP0265277.2 [0,1,1,0,0,0|1,0,0]=3 601 B8R0.5 CCOC(=O)C[C@H](C)O CNP0265277.1 [0,1,1,0,0,0|1,0,0]=3 602 B8R0.5 CCOC(=O)C[S+](C)C CNP0041723.0 [0,1,1,0,0,0|1,0,0]=3 603 B8R0.5 CCOC(=O)C[S](C)C CNP0481099.0 [0,1,1,0,0,0|1,0,0]=3 604 B8R0.5 CCSC(=S)OC(C)C CNP0320559.0 [0,1,1,0,0,0|1,1,0]=4 605 B8R0.5 COCC(C)OC(=O)C CNP0077230.0 [0,1,1,0,0,0|1,0,0]=3 606 B8R0.5 NCC[C@H](O)CC(=O)O CNP0229084.1 [0,1,1,0,0,0|2,0,0]=4 607 B8R0.16 CC(=O)OC(CCl)CCl CNP0287110.0 [0,1,1,0,0,0|2,0,0]=4 608 B8R0.16 CCC(CC)CC(=O)O CNP0188484.0 [0,1,1,0,0,0|1,0,0]=3 609 B8R0.16 CCC(CC)CC(C)C CNP0577588.0 [0,1,1,0,0,0|1,0,1]=4 610 B8R0.16 CCC(CO)CC(C)C CNP0084487.0 [0,1,1,0,0,0|0,0,2]=4 611 B8R0.16 CCN(CC)CC(=O)O CNP0048744.0 [0,1,1,0,0,0|2,0,0]=4 612 B8R0.16 COC(CC(=O)C)OC CNP0151886.0 [0,1,1,0,0,0|1,0,0]=3 613 B8R0.19 CC=C(C)CC(=O)OC CNP0103912.0 [0,1,1,0,0,0|0,0,2]=4 614 B8R0.19 CCC(=CC(=O)OC)C CNP0599334.0 [0,1,1,0,0,0|0,0,2]=4 615 B8R0.19 CCC(=O)C=C(C)CC CNP0594723.0 [0,1,1,0,0,0|0,0,2]=4 616 B8R0.19 CCC(=O)C[C@@H](C)CC CNP0076878.1 [0,1,1,0,0,0|0,0,0]=2 617 B8R0.19 CCC(=O)C[C@H](C)CC CNP0076878.2 [0,1,1,0,0,0|0,0,0]=2 618 B8R0.19 CCC(=O)O[C@@H](C)CC CNP0151376.1 [0,1,1,0,0,0|1,0,0]=3 619 B8R0.19 CCC(C)CC(C)CO CNP0072771.0 [0,1,1,0,0,0|0,0,2]=4 620 B8R0.19 CC[C@@H](C)C[C@@H](C)CC CNP0385244.1 [0,1,1,0,0,0|1,0,1]=4 621 B8R0.19 CC[C@H](C)CC(=O)OC CNP0302802.1 [0,1,1,0,0,0|0,0,0]=2 622 B8R0.19 CC[C@H](C)C[C@H](O)CC CNP0324526.1 [0,1,1,0,0,0|0,0,2]=4 623 B8R0.19 CC[C@H](O)CC(=O)OC CNP0318883.1 [0,1,1,0,0,0|1,0,0]=3 624 B8R0.19 COC(=O)CC(C)SC CNP0007855.0 [0,1,1,0,0,0|1,0,0]=3 625 B8R0.19 O=C(CO)C[C@@H](O)CO CNP0343552.1 [0,1,1,0,0,0|2,0,0]=4 626 B8R0.23 CC(=O)C(=O)CC(C)C CNP0131749.0 [0,1,1,0,0,0|0,0,1]=3 627 B8R0.23 CC(=O)C=C(C)C(C)C CNP0033202.0 [0,1,1,0,0,0|0,0,2]=4 628 B8R0.23 CC(=O)CC(=O)C(C)C CNP0109827.0 [0,1,1,0,0,0|1,0,1]=4 629 B8R0.23 CC(=O)CC(S)C(C)C CNP0610501.0 [0,1,1,0,0,0|1,0,0]=3 630 B8R0.23 CC(=O)C[C@@H](O)C(=O)C CNP0180429.1 [0,1,1,0,0,0|1,0,1]=4 631 B8R0.23 CC(=O)O[C@H](C)C(=O)C CNP0270762.1 [0,1,1,0,0,0|1,0,1]=4 632 B8R0.23 CC(=O)[C@@H](C)CC(=O)O CNP0299581.1 [0,1,1,0,0,0|1,0,1]=4 633 B8R0.23 CC(C)CC(=O)C(=O)O CNP0271985.0 [0,1,1,0,0,0|1,0,1]=4 634 B8R0.23 CC(C)CC(=O)C(C)O CNP0003258.0 [0,1,1,0,0,0|0,0,0]=2 635 B8R0.23 CC(C)C[C@H](C)C(C)C CNP0297055.1 [0,1,1,0,0,0|1,0,1]=4 636 B8R0.23 CC(C)OC(=O)C(C)C CNP0251914.0 [0,1,1,0,0,0|1,0,0]=3 637 B8R0.23 CC(C)[C@@H](N)CC(=O)O CNP0294752.1 [0,1,1,0,0,0|2,0,0]=4 638 B8R0.23 CC(C)[C@H](O)CC(=O)O CNP0314965.1 [0,1,1,0,0,0|2,0,0]=4 639 B8R0.23 CC(O)C(N)CC(=O)O CNP0415810.0 [0,1,1,0,0,0|2,0,0]=4 640 B8R0.23 CN(C)CC(=O)N(C)C CNP0095024.0 [0,1,1,0,0,0|2,0,0]=4 641 B8R0.24 CC(C)(C)NC(=O)CCl CNP0053512.0 [0,1,1,0,0,0|2,0,0]=4 642 B8R0.24 CC=C(C)CC(C)(C)C CNP0003427.0 [0,1,1,0,0,0|1,0,1]=4 643 B8R0.24 CCC(=O)OC(C)(C)C CNP0611667.0 [0,1,1,0,0,0|1,0,0]=3 644 B8R0.24 CC[C@H](C)CC(C)(C)O CNP0378790.1 [0,1,1,0,0,0|0,0,2]=4 645 B8R0.24 COC(=O)CC(C)(C)O CNP0003368.0 [0,1,1,0,0,0|1,0,0]=3 646 B8R0.34 C=C(C)CC(C)(C)CO CNP0600744.0 [0,1,1,0,0,0|2,0,0]=4 647 B8R0.34 CCC(C)(C)OC(=O)C CNP0609032.0 [0,1,1,0,0,0|1,0,0]=3 648 B8R0.34 CC[C@@](C)(O)CC(=O)O CNP0379279.1 [0,1,1,0,0,0|1,0,0]=3 649 B8R0.34 CSC(C)(C)CC(=O)C CNP0221853.0 [0,1,1,0,0,0|1,0,0]=3 650 B8R0.6 C=CC(=O)CCCCC CNP0297364.0 [0,1,1,0,0,0|0,0,1]=3 651 B8R0.6 C=CC(=O)OCCCC CNP0191898.0 [0,1,1,0,0,0|1,0,1]=4 652 B8R0.6 CC=C(O)CCCCC CNP0174345.0 [0,1,1,0,0,0|0,0,1]=3 653 B8R0.6 CCC=CCC(=O)OC CNP0261842.0 [0,1,1,0,0,0|0,0,2]=4 654 B8R0.6 CCCC=CC(=O)CC CNP0017905.0 [0,1,1,0,0,0|0,0,2]=4 655 B8R0.6 CCCC=CC(=O)OC CNP0385542.0 [0,1,1,0,0,0|0,0,2]=4 656 B8R0.6 CCCCC=C(C)C=O CNP0586407.0 [0,1,1,0,0,0|0,0,1]=3 657 B8R0.6 CCCCCC(=NO)C CNP0241223.0 [0,1,1,0,0,0|0,0,1]=3 658 B8R0.6 CCCCCC(=O)CC CNP0381627.0 [0,1,1,0,0,0|0,0,0]=2 659 B8R0.6 CCCCCC(=O)CO CNP0546319.0 [0,1,1,0,0,0|0,0,0]=2 660 B8R0.6 CCCCCC(=O)OC CNP0192346.0 [0,1,1,0,0,0|0,0,0]=2 661 B8R0.6 CCCCCC(=O)SC CNP0018085.0 [0,1,1,0,0,0|0,0,0]=2 662 B8R0.6 CCCCCC(S)SC CNP0002612.0 [0,1,1,0,0,0|0,1,1]=4 663 B8R0.6 CCCCC[C@@H](O)CC CNP0204116.1 [0,1,1,0,0,0|0,0,2]=4 664 B8R0.6 CCCCC[C@H](C)CC CNP0121781.1 [0,1,1,0,0,0|1,0,1]=4 665 B8R0.6 CCCCC[C@H](O)CC CNP0204116.2 [0,1,1,0,0,0|0,0,2]=4 666 B8R0.6 CCCCC[C@H](O)CO CNP0528306.1 [0,1,1,0,0,0|0,0,2]=4 667 B8R0.6 CCCCOC(=O)CC CNP0139208.0 [0,1,1,0,0,0|1,0,0]=3 668 B8R0.6 CC[C@@H](C)CCCCO CNP0076966.2 [0,1,1,0,0,0|0,0,2]=4 669 B8R0.6 CC[C@H](C)CCCCO CNP0076966.1 [0,1,1,0,0,0|0,0,2]=4 670 B8R0.6 COC(=O)CCCSC CNP0313998.0 [0,1,1,0,0,0|1,0,0]=3 671 B8R0.6 COCCCC(=O)OC CNP0580088.0 [0,1,1,0,0,0|1,0,0]=3 672 B8R0.7 C=C(O)CCCCCC CNP0584840.0 [0,1,1,0,0,0|0,0,2]=4 673 B8R0.7 C=CCCCCC(=O)C CNP0179576.0 [0,1,1,0,0,0|0,0,1]=3 674 B8R0.7 C=CCCCCC(C)O CNP0002843.0 [0,1,1,0,0,0|2,0,0]=4 675 B8R0.7 C=CCCCOC(=O)C CNP0186159.0 [0,1,1,0,0,0|0,0,2]=4 676 B8R0.7 CC(=CCCCC=O)C CNP0514464.0 [0,1,1,0,0,0|0,0,1]=3 677 B8R0.7 CC(=O)NCCCC=O CNP0083670.0 [0,1,1,0,0,0|1,0,1]=4 678 B8R0.7 CC(=O)NCCCCN CNP0279373.0 [0,1,1,0,0,0|1,0,0]=3 679 B8R0.7 CC(C)CCCCC=O CNP0244483.0 [0,1,1,0,0,0|0,0,0]=2 680 B8R0.7 CC(C)CCCCCO CNP0090200.0 [0,1,1,0,0,0|0,0,2]=4 681 B8R0.7 CC(C)CCCN=C=S CNP0076170.0 [0,1,1,0,0,0|0,1,1]=4 682 B8R0.7 CC(C)OCCCCO CNP0461229.0 [0,1,1,0,0,0|0,0,2]=4 683 B8R0.7 CC=CCCCC(=O)C CNP0074972.0 [0,1,1,0,0,0|0,0,1]=3 684 B8R0.7 CC=CCCCC(=O)O CNP0248463.0 [0,1,1,0,0,0|1,0,1]=4 685 B8R0.7 CCC=CCCC(=O)C CNP0225225.0 [0,1,1,0,0,0|0,0,1]=3 686 B8R0.7 CCC=CCCC(=O)Cl CNP0194264.0 [0,1,1,0,0,0|1,0,1]=4 687 B8R0.7 CCC=CCCC(=O)O CNP0132792.0 [0,1,1,0,0,0|1,0,1]=4 688 B8R0.7 CCCCC=CC(=O)C CNP0125606.0 [0,1,1,0,0,0|0,0,1]=3 689 B8R0.7 CCCCC=CC(=O)O CNP0199006.0 [0,1,1,0,0,0|1,0,1]=4 690 B8R0.7 CCCCCC=C(C)C CNP0153071.0 [0,1,1,0,0,0|1,0,0]=3 691 B8R0.7 CCCCCC=C(C)O CNP0546798.0 [0,1,1,0,0,0|0,0,1]=3 692 B8R0.7 CCCCCCC(=O)C CNP0325160.0 [0,1,1,0,0,0|0,0,0]=2 693 B8R0.7 CCCCCCC(=O)Cl CNP0211048.0 [0,1,1,0,0,0|1,0,0]=3 694 B8R0.7 CCCCCCC(=O)N CNP0248097.0 [0,1,1,0,0,0|1,0,0]=3 695 B8R0.7 CCCCCCC(=O)O CNP0141686.0 [0,1,1,0,0,0|1,0,0]=3 696 B8R0.7 CCCCCCC(C)C CNP0161146.0 [0,1,1,0,0,0|1,0,1]=4 697 B8R0.7 CCCCCC[C@@H](C)Cl CNP0248103.2 [0,1,1,0,0,0|1,0,1]=4 698 B8R0.7 CCCCCC[C@@H](C)O CNP0419289.1 [0,1,1,0,0,0|0,0,2]=4 699 B8R0.7 CCCCCC[C@H](C)Cl CNP0248103.1 [0,1,1,0,0,0|1,0,1]=4 700 B8R0.7 CCCCCC[C@H](C)O CNP0419289.2 [0,1,1,0,0,0|0,0,2]=4 701 B8R0.7 CCCCCC[N+](=O)O CNP0515303.0 [0,1,1,0,0,0|2,0,0]=4 702 B8R0.7 CCCCCC[N+](=O)[O-] CNP0518178.0 [0,1,1,0,0,0|2,0,0]=4 703 B8R0.7 CCCCCOC(=O)C CNP0227990.0 [0,1,1,0,0,0|0,0,0]=2 704 B8R0.7 CCCCOCC(=O)O CNP0524848.0 [0,1,1,0,0,0|1,0,0]=3 705 B8R0.7 CCCCOCC(C)O CNP0506345.0 [0,1,1,0,0,0|0,0,2]=4 706 B8R0.7 CCCOCCC(=O)C CNP0376956.0 [0,1,1,0,0,0|0,0,0]=2 707 B8R0.7 COCCCOC(=O)C CNP0076800.0 [0,1,1,0,0,0|1,0,0]=3 708 B8R0.7 CSCCCOC(=O)C CNP0179840.0 [0,1,1,0,0,0|1,0,0]=3 709 B8R0.7 NCCCCCC(=O)O CNP0337210.0 [0,1,1,0,0,0|1,0,0]=3 710 B8R0.7 NCCCCNC(=O)N CNP0414848.0 [0,1,1,0,0,0|2,0,0]=4 711 B8R0.7 O=C(O)CCCCCO CNP0079830.0 [0,1,1,0,0,0|1,0,0]=3 712 B8R0.7 O=CCCCCC(=O)O CNP0080387.0 [0,1,1,0,0,0|1,0,1]=4 713 B8R0.8 C/C=C\C[C@@H](C)C(=O)C CNP0260955.1 [0,1,1,0,0,0|0,0,2]=4 714 B8R0.8 CC(=O)N(O)CCCN CNP0598516.0 [0,1,1,0,0,0|2,0,0]=4 715 B8R0.8 CC(=O)[C@@H](C)CCC#N CNP0043042.1 [0,1,1,0,0,0|1,0,1]=4 716 B8R0.8 CC(=O)[C@H](C)CCC#N CNP0043042.2 [0,1,1,0,0,0|1,0,1]=4 717 B8R0.8 CCCC=C(C)C(=O)C CNP0077419.0 [0,1,1,0,0,0|0,0,2]=4 718 B8R0.8 CCCCC(=O)C(=O)C CNP0125705.0 [0,1,1,0,0,0|0,0,1]=3 719 B8R0.8 CCCCC(=O)C(=O)O CNP0301313.0 [0,1,1,0,0,0|1,0,1]=4 720 B8R0.8 CCCCC(C)C(C)O CNP0576156.0 [0,1,1,0,0,0|0,0,2]=4 721 B8R0.8 CCCCC(O)C(C)C CNP0610502.0 [0,1,1,0,0,0|1,0,1]=4 722 B8R0.8 CCCC[C@@H](C)C(=O)O CNP0131779.1 [0,1,1,0,0,0|1,0,0]=3 723 B8R0.8 CCCC[C@@H](N)C(=O)O CNP0177876.2 [0,1,1,0,0,0|1,0,0]=3 724 B8R0.8 CCCC[C@H](Br)C(=O)Br CNP0017823.1 [0,1,1,0,0,0|1,0,0]=3 725 B8R0.8 CCCC[C@H](Br)C(=O)O CNP0017777.1 [0,1,1,0,0,0|1,0,0]=3 726 B8R0.8 CCCC[C@H](C)C(C)C CNP0331704.1 [0,1,1,0,0,0|1,0,1]=4 727 B8R0.8 CCCC[C@H](N)C(=O)O CNP0177876.1 [0,1,1,0,0,0|1,0,0]=3 728 B8R0.8 CCCC[C@H](O)C(=O)O CNP0296365.1 [0,1,1,0,0,0|1,0,0]=3 729 B8R0.8 CCSC[C@H](N)C(=O)O CNP0566350.1 [0,1,1,0,0,0|2,0,0]=4 730 B8R0.8 CSCCC(=O)C(=O)C CNP0269009.0 [0,1,1,0,0,0|1,0,1]=4 731 B8R0.8 CSCCC(O)C(=O)O CNP0398053.0 [0,1,1,0,0,0|2,0,0]=4 732 B8R0.8 CSCC[C@@H](N)C(=O)O CNP0217457.2 [0,1,1,0,0,0|2,0,0]=4 733 B8R0.8 CSCC[C@H](N)C(=O)O CNP0217457.1 [0,1,1,0,0,0|2,0,0]=4 734 B8R0.8 C[C@@H](CCCN)C(=O)O CNP0300742.1 [0,1,1,0,0,0|2,0,0]=4 735 B8R0.8 C[C@H](O)[C@@H](O)CCC=O CNP0343668.1 [0,1,1,0,0,0|1,0,0]=3 736 B8R0.8 C[Se]CC[C@H](N)C(=O)O CNP0196017.1 [0,1,1,0,0,0|2,0,0]=4 737 B8R0.8 NCCC[C@@H](N)C(=O)O CNP0102727.2 [0,1,1,0,0,0|2,0,0]=4 738 B8R0.8 NCCC[C@@H](O)C(=O)O CNP0154820.1 [0,1,1,0,0,0|2,0,0]=4 739 B8R0.8 NCCC[C@H](N)C(=O)O CNP0102727.1 [0,1,1,0,0,0|2,0,0]=4 740 B8R0.8 N[C@@H](CCCO)C(=O)O CNP0218644.1 [0,1,1,0,0,0|2,0,0]=4 741 B8R0.8 N[C@H](CCCO)C(=O)O CNP0218644.2 [0,1,1,0,0,0|2,0,0]=4 742 B8R0.9 C=CC(C)CCC(=O)C CNP0480823.0 [0,1,1,0,0,0|0,0,2]=4 743 B8R0.9 CC(=O)OC[C@@H](O)CO CNP0178275.2 [0,1,1,0,0,0|2,0,0]=4 744 B8R0.9 CC(=O)OC[C@H](O)CO CNP0178275.1 [0,1,1,0,0,0|2,0,0]=4 745 B8R0.9 CC=C(C)CCC(=O)C CNP0152365.0 [0,1,1,0,0,0|0,0,2]=4 746 B8R0.9 CCC(=O)CCC(=O)C CNP0351129.0 [0,1,1,0,0,0|0,0,1]=3 747 B8R0.9 CCC(=O)CCC(=O)O CNP0609090.0 [0,1,1,0,0,0|1,0,1]=4 748 B8R0.9 CCC(=O)COC(=O)C CNP0146309.0 [0,1,1,0,0,0|1,0,1]=4 749 B8R0.9 CCC(C)C=CC(=O)C CNP0546315.0 [0,1,1,0,0,0|0,0,2]=4 750 B8R0.9 CCC(C)CCC(=O)C CNP0351126.0 [0,1,1,0,0,0|0,0,0]=2 751 B8R0.9 CCC(C)CCC(C)C CNP0495437.0 [0,1,1,0,0,0|1,0,1]=4 752 B8R0.9 CCC(C)CCC(C)O CNP0076364.0 [0,1,1,0,0,0|0,0,2]=4 753 B8R0.9 CCC(O)CCC(C)C CNP0554641.0 [0,1,1,0,0,0|1,0,1]=4 754 B8R0.9 CC[C@@H](C)COC(=O)C CNP0147650.2 [0,1,1,0,0,0|1,0,0]=3 755 B8R0.9 CC[C@@H](N)CCC(=O)O CNP0584054.1 [0,1,1,0,0,0|1,0,0]=3 756 B8R0.9 CC[C@H](C)CCC(=O)O CNP0326615.1 [0,1,1,0,0,0|1,0,0]=3 757 B8R0.9 CC[C@H](C)COC(=O)C CNP0147650.1 [0,1,1,0,0,0|1,0,0]=3 758 B8R0.9 COC(=O)CCC(=O)C CNP0333853.0 [0,1,1,0,0,0|1,0,1]=4 759 B8R0.9 NC[C@@H](N)CCC(=O)O CNP0280989.1 [0,1,1,0,0,0|2,0,0]=4 760 B8R0.9 NC[C@@H](O)CCC(=O)O CNP0204037.1 [0,1,1,0,0,0|2,0,0]=4 761 B8R0.9 NC[C@H](N)CCC(=O)O CNP0280989.2 [0,1,1,0,0,0|2,0,0]=4 762 B8R0.9 O=C(O)CC[C@H](O)CO CNP0251950.1 [0,1,1,0,0,0|2,0,0]=4 763 B8R0.21 CC(C)(S)CCOC=O CNP0002927.0 [0,1,1,0,0,0|1,0,0]=3 764 B8R0.21 CCCCCC(C)(C)S CNP0505610.0 [0,1,1,0,0,0|0,1,1]=4 765 B8R0.21 CCCCOS(=O)(=O)C CNP0083521.0 [0,1,1,0,0,0|2,0,0]=4 766 B8R0.21 CCCCO[As](=O)(C)C CNP0018326.0 [0,1,1,0,0,0|2,0,0]=4 767 B8R0.21 C[N+](C)(C)CCCC=O CNP0530420.0 [0,1,1,0,0,0|1,0,0]=3 768 B8R0.28 C=C(C)CCCC(=O)C CNP0188769.0 [0,1,1,0,0,0|0,0,1]=3 769 B8R0.28 C=C(C)CCC[C@H](C)O CNP0136592.1 [0,1,1,0,0,0|1,0,0]=3 770 B8R0.28 C=C(C)CCOC(=O)C CNP0331473.0 [0,1,1,0,0,0|1,0,1]=4 771 B8R0.28 CC(=CCC[C@@H](C)O)C CNP0250398.2 [0,1,1,0,0,0|1,0,1]=4 772 B8R0.28 CC(=CCC[C@H](C)O)C CNP0250398.1 [0,1,1,0,0,0|1,0,1]=4 773 B8R0.28 CC(=O)C=CCC(C)C CNP0400137.0 [0,1,1,0,0,0|0,0,2]=4 774 B8R0.28 CC(=O)CCC=C(C)C CNP0330890.0 [0,1,1,0,0,0|0,0,2]=4 775 B8R0.28 CC(=O)CCCC(=O)C CNP0084433.0 [0,1,1,0,0,0|0,0,1]=3 776 B8R0.28 CC(=O)CCCC(=O)O CNP0456571.0 [0,1,1,0,0,0|1,0,1]=4 777 B8R0.28 CC(=O)CCCC(C)C CNP0354382.0 [0,1,1,0,0,0|0,0,0]=2 778 B8R0.28 CC(=O)CCOC(=O)C CNP0480131.0 [0,1,1,0,0,0|1,0,1]=4 779 B8R0.28 CC(=O)NCCC(C)C CNP0189958.0 [0,1,1,0,0,0|1,0,0]=3 780 B8R0.28 CC(=O)OCCC(C)C CNP0303079.0 [0,1,1,0,0,0|1,0,0]=3 781 B8R0.28 CC(=O)OCCC(C)S CNP0003245.0 [0,1,1,0,0,0|1,0,0]=3 782 B8R0.28 CC(=S)OCCC(C)C CNP0547891.0 [0,1,1,0,0,0|1,1,0]=4 783 B8R0.28 CC(C)C=CCC(=O)O CNP0441019.0 [0,1,1,0,0,0|0,0,2]=4 784 B8R0.28 CC(C)CCCC(=O)N CNP0540876.0 [0,1,1,0,0,0|0,0,0]=2 785 B8R0.28 CC(C)CCCC(=O)O CNP0255582.0 [0,1,1,0,0,0|0,0,0]=2 786 B8R0.28 CC(C)CCCC(=O)S CNP0536483.0 [0,1,1,0,0,0|0,0,0]=2 787 B8R0.28 CC(C)CCCC(C)C CNP0166483.0 [0,1,1,0,0,0|1,0,1]=4 788 B8R0.28 CC(C)CCC[C@@H](C)N CNP0402006.1 [0,1,1,0,0,0|1,0,1]=4 789 B8R0.28 CC(C)CCC[C@H](C)N CNP0402006.2 [0,1,1,0,0,0|1,0,1]=4 790 B8R0.28 CC(C)CCC[C@H](C)O CNP0182781.1 [0,1,1,0,0,0|0,0,2]=4 791 B8R0.28 CN(C)CCCC(=O)O CNP0321126.0 [0,1,1,0,0,0|1,0,0]=3 792 B8R0.28 C[C@@H](O)CCCC(=O)O CNP0082052.1 [0,1,1,0,0,0|1,0,0]=3 793 B8R0.1 C=CCC(O)CCCC CNP0566566.0 [0,1,1,0,0,0|2,0,0]=4 794 B8R0.1 C=CCCC(=O)OCC CNP0003358.0 [0,1,1,0,0,0|1,0,1]=4 795 B8R0.1 C=CCC[C@@H](O)CCC CNP0196626.2 [0,1,1,0,0,0|2,0,0]=4 796 B8R0.1 C=CCC[C@H](O)CCC CNP0196626.1 [0,1,1,0,0,0|2,0,0]=4 797 B8R0.1 C=CCOC(=O)CCC CNP0002468.0 [0,1,1,0,0,0|0,0,2]=4 798 B8R0.1 CC=CC(=O)CCCC CNP0170062.0 [0,1,1,0,0,0|0,0,2]=4 799 B8R0.1 CC=CCC(O)CCC CNP0497599.0 [0,1,1,0,0,0|2,0,0]=4 800 B8R0.1 CCCC(=O)OCSC CNP0002701.0 [0,1,1,0,0,0|1,0,0]=3 801 B8R0.1 CCCC(S)CCOC CNP0309037.0 [0,1,1,0,0,0|0,1,1]=4 802 B8R0.1 CCCCC(=O)CCC CNP0094009.0 [0,1,1,0,0,0|0,0,0]=2 803 B8R0.1 CCCCC(=O)OCC CNP0305309.0 [0,1,1,0,0,0|1,0,0]=3 804 B8R0.1 CCCC[C@H](C)CCC CNP0319238.1 [0,1,1,0,0,0|1,0,1]=4 805 B8R0.1 CCCC[C@H](O)CCC CNP0195357.1 [0,1,1,0,0,0|0,0,2]=4 806 B8R0.1 CCCOC(=O)CCC CNP0083884.0 [0,1,1,0,0,0|0,0,0]=2 807 B8R0.1 CCCS[S+]([O-])CCC CNP0505813.0 [0,1,1,0,0,0|1,0,1]=4 808 B8R0.1 CCCS[S@+]([O-])CCC CNP0505813.1 [0,1,1,0,0,0|1,0,1]=4 809 B8R0.1 CCC[C@@H](C)CCCO CNP0421179.1 [0,1,1,0,0,0|0,0,2]=4 810 B8R0.1 CCOC(=O)CCC=O CNP0576338.0 [0,1,1,0,0,0|1,0,1]=4 811 B8R0.1 CCOC(=O)CCCO CNP0364509.0 [0,1,1,0,0,0|1,0,0]=3 812 B8R0.1 CCOC(=O)CCSC CNP0199051.0 [0,1,1,0,0,0|1,0,0]=3 813 B8R0.1 NCCCC(N)CC=O CNP0515515.0 [0,1,1,0,0,0|1,0,0]=3 814 B8R0.3 C/C=C/C(=O)[C@@H](C)CC CNP0293827.1 [0,1,1,0,0,0|0,0,2]=4 815 B8R0.3 C/C=C/C(=O)[C@H](C)CC CNP0293827.2 [0,1,1,0,0,0|0,0,2]=4 816 B8R0.3 C=C(CC)C(=O)COC CNP0612231.0 [0,1,1,0,0,0|1,0,1]=4 817 B8R0.3 C=CCC(C)C(=O)CC CNP0611593.0 [0,1,1,0,0,0|1,0,1]=4 818 B8R0.3 CCCC(=O)C(=O)CC CNP0163333.0 [0,1,1,0,0,0|0,0,1]=3 819 B8R0.3 CCCC(=O)C(C)CC CNP0595391.0 [0,1,1,0,0,0|0,0,0]=2 820 B8R0.3 CCC[C@@H](C)[C@@H](O)CC CNP0195480.3 [0,1,1,0,0,0|1,0,1]=4 821 B8R0.3 CCC[C@@H](C)[C@H](C)CC CNP0401760.1 [0,1,1,0,0,0|1,0,1]=4 822 B8R0.3 CCC[C@H](C)[C@@H](C)CC CNP0401760.2 [0,1,1,0,0,0|1,0,1]=4 823 B8R0.3 CCC[C@H](C)[C@@H](O)CC CNP0195480.2 [0,1,1,0,0,0|1,0,1]=4 824 B8R0.3 CCC[C@H](C)[C@H](C)CC CNP0401760.3 [0,1,1,0,0,0|1,0,1]=4 825 B8R0.3 CCC[C@H](C)[C@H](O)CC CNP0195480.1 [0,1,1,0,0,0|1,0,1]=4 826 B8R0.3 CCOC(=O)C(=O)CC CNP0506120.0 [0,1,1,0,0,0|1,0,1]=4 827 B8R0.3 CCOC(=O)[C@@H](C)CC CNP0105613.2 [0,1,1,0,0,0|1,0,0]=3 828 B8R0.3 CCOC(=O)[C@@H](N)CO CNP0522179.2 [0,1,1,0,0,0|2,0,0]=4 829 B8R0.3 CCOC(=O)[C@@H](N)CS CNP0398806.2 [0,1,1,0,0,0|2,0,0]=4 830 B8R0.3 CCOC(=O)[C@H](C)CC CNP0105613.1 [0,1,1,0,0,0|1,0,0]=3 831 B8R0.3 CCOC(=O)[C@H](N)CO CNP0522179.1 [0,1,1,0,0,0|2,0,0]=4 832 B8R0.3 O=CC[C@@H](O)[C@@H](O)CO CNP0204667.2 [0,1,1,0,0,0|2,0,0]=4 833 B8R0.3 O=CC[C@H](O)[C@H](O)CO CNP0204667.1 [0,1,1,0,0,0|2,0,0]=4 834 B8R0.22 CCC=C(C=O)CCC CNP0527539.0 [0,1,1,0,0,0|0,0,1]=3 835 B8R0.22 CCCC(=NO)CCC CNP0366648.0 [0,1,1,0,0,0|0,0,1]=3 836 B8R0.22 CCCC(CC=O)SC CNP0110660.0 [0,1,1,0,0,0|0,0,0]=2 837 B8R0.22 CCCC(CO)CCC CNP0538708.0 [0,1,1,0,0,0|0,0,2]=4 838 B8R0.22 CCCN(C=O)CCC CNP0082253.0 [0,1,1,0,0,0|1,0,0]=3 839 B8R0.22 CCC[C@@H](CCO)SC CNP0238313.1 [0,1,1,0,0,0|0,0,2]=4 840 B8R0.30 CCCP(=S)(C)CCC CNP0210632.0 [0,1,1,0,0,0|1,1,0]=4 841 B8R0.30 CCCS(=O)(=O)CCC CNP0537279.0 [0,1,1,0,0,0|1,0,0]=3 842 B8R1.2 BrC[C@@H]1C=CCCC1 CNP0302852.1 [1,1,0,0,0,0|0,0,1]=3 843 B8R1.2 C=CC1=CCCCC1 CNP0552641.0 [1,1,0,0,0,0|1,0,1]=4 844 B8R1.2 CCC1=CCCCC1 CNP0080676.0 [1,1,0,0,0,0|1,0,1]=4 845 B8R1.2 CCC1CCCCC1 CNP0300322.0 [1,1,0,0,0,0|0,0,1]=3 846 B8R1.2 CC[C@@H]1CCCCO1 CNP0273678.2 [1,1,0,0,0,0|1,0,1]=4 847 B8R1.2 CC[C@H]1C=CCCC1 CNP0103483.1 [1,1,0,0,0,0|0,0,1]=3 848 B8R1.2 CC[C@H]1CCCCO1 CNP0273678.1 [1,1,0,0,0,0|1,0,1]=4 849 B8R1.2 CNC1CCCCC1 CNP0474937.0 [1,1,0,0,0,0|0,0,1]=3 850 B8R1.2 COC1=CCCCC1 CNP0354574.0 [1,1,0,0,0,0|0,0,2]=4 851 B8R1.2 N=C=C1CCCCC1 CNP0105477.0 [1,1,0,0,0,0|1,0,0]=3 852 B8R1.2 NCC1CCCCC1 CNP0581484.0 [1,1,0,0,0,0|0,0,1]=3 853 B8R1.2 NCC1CCOCC1 CNP0398955.0 [1,1,0,0,0,0|1,0,1]=4 854 B8R1.2 O=CC1=CCCCC1 CNP0075083.0 [1,1,0,0,0,0|0,0,1]=3 855 B8R1.2 O=CC1CC=CCC1 CNP0106039.0 [1,1,0,0,0,0|0,0,2]=4 856 B8R1.2 O=CC1CCCCC1 CNP0419979.0 [1,1,0,0,0,0|0,0,1]=3 857 B8R1.2 O=CN1CCCCC1 CNP0187689.0 [1,1,0,0,0,0|1,0,0]=3 858 B8R1.2 O=CN1CCOCC1 CNP0250987.0 [1,1,0,0,0,0|2,0,0]=4 859 B8R1.2 O=NN1CCCCC1 CNP0313974.0 [1,1,0,0,0,0|1,0,0]=3 860 B8R1.2 O=NN1CCOCC1 CNP0158830.0 [1,1,0,0,0,0|2,0,0]=4 861 B8R1.2 OCC1=CCCCC1 CNP0075365.0 [1,1,0,0,0,0|0,0,2]=4 862 B8R1.2 OCC1C=CCCC1 CNP0213790.0 [1,1,0,0,0,0|0,0,1]=3 863 B8R1.2 OCC1CCCCN1 CNP0335046.0 [1,1,0,0,0,0|1,0,1]=4 864 B8R1.2 OC[C@@H]1CC=CCC1 CNP0119836.2 [1,1,0,0,0,0|0,0,1]=3 865 B8R1.2 OC[C@@H]1CCCOC1 CNP0568032.1 [1,1,0,0,0,0|1,0,0]=3 866 B8R1.2 OC[C@H]1CC=CCC1 CNP0119836.1 [1,1,0,0,0,0|0,0,1]=3 867 B8R1.2 OC[C@H]1CCCCO1 CNP0281977.1 [1,1,0,0,0,0|1,0,1]=4 868 B8R1.2 OC[C@H]1CCCOC1 CNP0568032.2 [1,1,0,0,0,0|1,0,0]=3 869 B8R1.2 ON=C1CCCCC1 CNP0102527.0 [1,1,0,0,0,0|0,0,1]=3 870 B8R1.2 [C-]#[N+]C1CCCCC1 CNP0554147.0 [1,1,0,0,0,0|0,0,2]=4 871 B8R1.3 CC1=CCC(=O)CC1 CNP0134778.0 [1,1,0,0,0,0|0,0,2]=4 872 B8R1.3 CC1CCC(=O)CC1 CNP0165916.0 [1,1,0,0,0,0|0,0,0]=2 873 B8R1.3 CC1CCC(=O)CO1 CNP0611860.0 [1,1,0,0,0,0|1,0,0]=3 874 B8R1.3 CC1CCN(CC1)C CNP0529817.0 [1,1,0,0,0,0|1,0,1]=4 875 B8R1.3 CN1CCC(=O)CC1 CNP0180189.0 [1,1,0,0,0,0|1,0,0]=3 876 B8R1.3 C[C@@H]1CC[C@H](SC1)C CNP0511426.1 [1,1,0,0,0,0|1,0,0]=3 877 B8R1.3 C[C@H]1CC[C@@H](CC1)C CNP0167737.2 [1,1,0,0,0,0|0,0,1]=3 878 B8R1.3 C[C@H]1CC[C@@H](CC1)O CNP0179489.1 [1,1,0,0,0,0|0,0,1]=3 879 B8R1.3 C[C@H]1CC[C@H](CC1)C CNP0167737.1 [1,1,0,0,0,0|0,0,1]=3 880 B8R1.3 O=C1CCC(=O)CC1 CNP0521419.0 [1,1,0,0,0,0|0,0,1]=3 881 B8R1.3 O=C1CCC(=O)OC1 CNP0357956.0 [1,1,0,0,0,0|1,0,1]=4 882 B8R1.5 C=C1CCCCC1C CNP0595985.0 [1,1,0,0,0,0|1,0,0]=3 883 B8R1.5 CC1=CCCC[C@@H]1O CNP0368729.1 [1,1,0,0,0,0|1,0,1]=4 884 B8R1.5 CC1CCCC=C1Cl CNP0566805.0 [1,1,0,0,0,0|0,0,1]=3 885 B8R1.5 CC1CCCCC1=O CNP0003363.0 [1,1,0,0,0,0|0,0,0]=2 886 B8R1.5 CC1CCCCC1O CNP0610101.0 [1,1,0,0,0,0|0,0,1]=3 887 B8R1.5 CC1CCCOC1=O CNP0340524.0 [1,1,0,0,0,0|1,0,0]=3 888 B8R1.5 C[C@@H]1CCCC[C@@H]1C CNP0309502.2 [1,1,0,0,0,0|0,0,1]=3 889 B8R1.5 C[C@@H]1CCCC[C@H]1C CNP0309502.1 [1,1,0,0,0,0|0,0,1]=3 890 B8R1.5 N[C@@H]1CCCC[C@@H]1O CNP0462389.2 [1,1,0,0,0,0|0,0,2]=4 891 B8R1.5 N[C@@H]1CCCC[C@H]1O CNP0462389.4 [1,1,0,0,0,0|0,0,2]=4 892 B8R1.5 N[C@@H]1CCCNC1=O CNP0274946.1 [1,1,0,0,0,0|1,0,0]=3 893 B8R1.5 N[C@H]1CCCC[C@@H]1O CNP0462389.1 [1,1,0,0,0,0|0,0,2]=4 894 B8R1.5 N[C@H]1CCCC[C@H]1O CNP0462389.3 [1,1,0,0,0,0|0,0,2]=4 895 B8R1.5 O=C1C=CCC[C@H]1O CNP0184265.1 [1,1,0,0,0,0|0,0,2]=4 896 B8R1.5 O=C1CCCC=C1O CNP0238036.0 [1,1,0,0,0,0|0,0,2]=4 897 B8R1.5 O=C1CCCCC1=O CNP0610133.0 [1,1,0,0,0,0|0,0,1]=3 898 B8R1.5 O=C1CCCCC1O CNP0610127.0 [1,1,0,0,0,0|0,0,0]=2 899 B8R1.5 O[C@@H]1CCCC[C@@H]1O CNP0125386.2 [1,1,0,0,0,0|0,0,2]=4 900 B8R1.5 O[C@@H]1CCCC[C@H]1Cl CNP0338357.1 [1,1,0,0,0,0|0,0,2]=4 901 B8R1.5 O[C@@H]1CCCC[C@H]1O CNP0125386.1 [1,1,0,0,0,0|0,0,2]=4 902 B8R1.5 O[C@H]1CCCC[C@@H]1O CNP0125386.3 [1,1,0,0,0,0|0,0,2]=4 903 B8R1.72 CC1(CCCCC1)C CNP0281819.0 [1,1,0,0,0,0|0,0,1]=3 904 B8R1.72 CC1(CCCCC1)O CNP0084309.0 [1,1,0,0,0,0|0,0,1]=3 905 B8R1.72 C[C@@]1(C=CCCC1)O CNP0241347.2 [1,1,0,0,0,0|0,0,1]=3 906 B8R1.72 C[C@]1(C=CCCC1)O CNP0241347.1 [1,1,0,0,0,0|0,0,1]=3 907 B8R1.72 C[N+]1(CCCCC1)[O-] CNP0052569.0 [1,1,0,0,0,0|1,0,1]=4 908 B8R1.72 O=S1(=O)CCCSC1 CNP0151119.0 [1,1,0,0,0,0|2,0,0]=4 909 B8R1.1 CCC1=CC(=O)CC1 CNP0307278.0 [0,1,0,0,1,0|0,0,2]=4 910 B8R1.1 CC[C@@H]1CCC(=O)O1 CNP0276218.2 [0,1,0,0,1,0|1,0,0]=3 911 B8R1.1 CC[C@@H]1CC[C@@H](C1)C CNP0136815.1 [0,1,0,0,1,0|1,0,1]=4 912 B8R1.1 CC[C@@H]1CC[C@H](C1)C CNP0136815.2 [0,1,0,0,1,0|1,0,1]=4 913 B8R1.1 CC[C@H]1CCC(=O)O1 CNP0276218.1 [0,1,0,0,1,0|1,0,0]=3 914 B8R1.1 CC[C@H]1COC(=O)C1 CNP0207946.1 [0,1,0,0,1,0|1,0,0]=3 915 B8R1.1 COC1C=CC(=O)C1 CNP0529998.0 [0,1,0,0,1,0|0,0,2]=4 916 B8R1.1 CO[C@@H]1CCC(=N1)O CNP0574433.1 [0,1,0,0,1,0|1,0,1]=4 917 B8R1.1 CO[C@@H]1CCC(=O)N1 CNP0302885.1 [0,1,0,0,1,0|1,0,0]=3 918 B8R1.1 CO[C@@H]1COC(=O)C1 CNP0018508.1 [0,1,0,0,1,0|1,0,0]=3 919 B8R1.1 NC[C@H]1CCC(=O)O1 CNP0474294.1 [0,1,0,0,1,0|1,0,0]=3 920 B8R1.1 O=C1CC[C@@H](C1)CO CNP0540442.1 [0,1,0,0,1,0|0,0,0]=2 921 B8R1.1 O=C1CC[C@@H](N1)CBr CNP0024090.1 [0,1,0,0,1,0|1,0,0]=3 922 B8R1.1 O=C1CC[C@@H](O1)CBr CNP0033303.1 [0,1,0,0,1,0|1,0,0]=3 923 B8R1.1 O=C1CC[C@@H](O1)CO CNP0117294.2 [0,1,0,0,1,0|1,0,0]=3 924 B8R1.1 O=C1CC[C@H](O1)CO CNP0117294.1 [0,1,0,0,1,0|1,0,0]=3 925 B8R1.1 OC[C@H]1CC[C@@H](C1)O CNP0523551.1 [0,1,0,0,1,0|0,0,2]=4 926 B8R1.18 CC1=CC(=O)CC1C CNP0529519.0 [0,1,0,0,1,0|0,0,2]=4 927 B8R1.18 CC1CC(=O)OC1=O CNP0605808.0 [0,1,0,0,1,0|1,0,1]=4 928 B8R1.18 CC1CC(C(=O)O1)N CNP0391379.0 [0,1,0,0,1,0|1,0,0]=3 929 B8R1.18 CC1CN(NC1=O)C CNP0529089.0 [0,1,0,0,1,0|2,0,0]=4 930 B8R1.18 CC1C[C@H]([C@@H](C1)C)C CNP0321029.2 [0,1,0,0,1,0|1,0,1]=4 931 B8R1.18 CC1OC(=O)OC1C CNP0571376.0 [0,1,0,0,1,0|2,0,0]=4 932 B8R1.18 C[C@@H]1C=C(C(=O)C1)O CNP0171928.1 [0,1,0,0,1,0|0,0,2]=4 933 B8R1.18 C[C@@H]1CC(=O)O[C@@H]1O CNP0514766.1 [0,1,0,0,1,0|1,0,0]=3 934 B8R1.18 C[C@@H]1CC(=O)O[C@H]1C CNP0262923.2 [0,1,0,0,1,0|1,0,0]=3 935 B8R1.18 C[C@@H]1C[C@@H](C(=O)O1)C CNP0247990.1 [0,1,0,0,1,0|1,0,0]=3 936 B8R1.18 C[C@@H]1C[C@@H](C(=O)O1)O CNP0321716.1 [0,1,0,0,1,0|1,0,0]=3 937 B8R1.18 C[C@@H]1C[C@H]([C@H](C1)C)C CNP0321029.1 [0,1,0,0,1,0|1,0,1]=4 938 B8R1.18 C[C@H]1CC(=O)O[C@@H]1C CNP0262923.1 [0,1,0,0,1,0|1,0,0]=3 939 B8R1.18 C[C@H]1OC(=O)CC1=O CNP0358326.1 [0,1,0,0,1,0|1,0,1]=4 940 B8R1.50 CC1=C(C(=O)CC1)C CNP0395678.0 [0,1,0,0,1,0|0,0,2]=4 941 B8R1.50 CC1=C(C(=O)CC1)O CNP0301474.0 [0,1,0,0,1,0|0,0,2]=4 942 B8R1.50 CC1=C(C(CC1)C)C CNP0610113.0 [0,1,0,0,1,0|1,0,1]=4 943 B8R1.50 CC1C(=O)CCC1=O CNP0193836.0 [0,1,0,0,1,0|1,0,1]=4 944 B8R1.50 CC1OCC(=O)C1C CNP0086303.0 [0,1,0,0,1,0|1,0,0]=3 945 B8R1.50 CC1[C@@H](CC[C@H]1C)C CNP0152607.1 [0,1,0,0,1,0|1,0,1]=4 946 B8R1.50 C[C@@H]1C(=O)OC[C@@H]1O CNP0400627.1 [0,1,0,0,1,0|2,0,0]=4 947 B8R1.50 C[C@@H]1C(=O)OC[C@H]1O CNP0400627.2 [0,1,0,0,1,0|2,0,0]=4 948 B8R1.50 C[C@@H]1COC(=O)[C@@H]1O CNP0158436.1 [0,1,0,0,1,0|1,0,0]=3 949 B8R1.50 C[C@@H]1CSC(=O)[C@H]1C CNP0371983.1 [0,1,0,0,1,0|1,0,0]=3 950 B8R1.50 C[C@@H]1[C@@H](CC[C@@H]1C)C CNP0152607.3 [0,1,0,0,1,0|1,0,1]=4 951 B8R1.50 C[C@H]1C(=O)OC[C@@H]1O CNP0400627.3 [0,1,0,0,1,0|2,0,0]=4 952 B8R1.50 C[C@H]1CCC(=O)C1=O CNP0124225.1 [0,1,0,0,1,0|0,0,1]=3 953 B8R1.50 C[C@H]1CC[C@H]([C@@H]1O)O CNP0330167.1 [0,1,0,0,1,0|0,0,2]=4 954 B8R1.50 C[C@H]1[C@@H](CC[C@@H]1C)C CNP0152607.2 [0,1,0,0,1,0|1,0,1]=4 955 B8R1.50 O=C1OC[C@@H]([C@@H]1O)O CNP0228474.4 [0,1,0,0,1,0|2,0,0]=4 956 B8R1.50 O=C1OC[C@@H]([C@H]1O)O CNP0228474.2 [0,1,0,0,1,0|2,0,0]=4 957 B8R1.50 O=C1OC[C@H]([C@@H]1O)O CNP0228474.1 [0,1,0,0,1,0|2,0,0]=4 958 B8R1.50 O=C1OC[C@H]([C@H]1O)O CNP0228474.3 [0,1,0,0,1,0|2,0,0]=4 959 B8R1.51 CC1(C=CC(=O)C1)C CNP0075974.0 [0,1,0,0,1,0|0,0,2]=4 960 B8R1.51 CC1(COC(=O)C1)C CNP0084721.0 [0,1,0,0,1,0|1,0,0]=3 961 B8R1.51 CC1CCC(C1)(C)O CNP0582682.0 [0,1,0,0,1,0|0,0,2]=4 962 B8R1.51 C[C@H]1CCC(C1)(C)C CNP0133145.1 [0,1,0,0,1,0|1,0,1]=4 963 B8R1.51 O=S1(=O)CCC(C1)Br CNP0280858.0 [0,1,0,0,1,0|2,0,0]=4 964 B8R1.11 CC1SCCN1N=O CNP0484852.0 [0,1,0,0,1,0|2,0,0]=4 965 B8R1.11 CC=C1CCNC1=O CNP0182504.0 [0,1,0,0,1,0|1,0,1]=4 966 B8R1.11 CCC1=C(CCC1)C CNP0488475.0 [0,1,0,0,1,0|1,0,1]=4 967 B8R1.11 CCC1=CCCC1=O CNP0033334.0 [0,1,0,0,1,0|0,0,2]=4 968 B8R1.11 CCC1CCCC1=O CNP0494839.0 [0,1,0,0,1,0|0,0,0]=2 969 B8R1.11 CCC1SCCC1=O CNP0185206.0 [0,1,0,0,1,0|1,0,0]=3 970 B8R1.11 CC[C@@H]1CC=CC1=O CNP0060906.1 [0,1,0,0,1,0|0,0,2]=4 971 B8R1.11 CC[C@@H]1CCC[C@H]1C CNP0227551.1 [0,1,0,0,1,0|1,0,1]=4 972 B8R1.11 CC[C@H]1CC=CC1=O CNP0060906.2 [0,1,0,0,1,0|0,0,2]=4 973 B8R1.11 CC[C@H]1CCNC1=O CNP0289303.1 [0,1,0,0,1,0|1,0,0]=3 974 B8R1.11 N#CC1CCCC1=O CNP0500496.0 [0,1,0,0,1,0|0,0,1]=3 975 B8R1.19 CC1(CCCC1=O)C CNP0560087.0 [0,1,0,0,1,0|0,0,0]=2 976 B8R1.19 CC1(CCC[C@@H]1O)C CNP0549501.1 [0,1,0,0,1,0|0,0,2]=4 977 B8R1.19 CC1(CCC[C@H]1O)C CNP0549501.2 [0,1,0,0,1,0|0,0,2]=4 978 B8R1.19 CC1CCCS1(=O)=O CNP0560961.0 [0,1,0,0,1,0|1,0,0]=3 979 B8R1.19 C[C@@]1(OCCC1=O)O CNP0160113.1 [0,1,0,0,1,0|1,0,0]=3 980 B8R1.19 C[C@H]1CCCC1(C)C CNP0142130.1 [0,1,0,0,1,0|1,0,1]=4 981 B10R1.162 CN[C@@H]1CCCCC(=O)C1 CNP0162632.1 [0,1,0,0,0,1|0,0,0]=2 982 B10R1.162 CN[C@H]1CCCCC(=O)C1 CNP0162632.2 [0,1,0,0,0,1|0,0,0]=2 983 B10R1.330 O=C1CCC(=O)CC(C1)O CNP0144196.0 [0,1,0,0,0,1|1,0,0]=3 984 B10R1.197 CN[C@H]1CCCC(=O)CC1 CNP0227098.1 [0,1,0,0,0,1|0,0,0]=2 985 B10R1.197 COC1=CCCC(=O)CC1 CNP0219290.0 [0,1,0,0,0,1|0,0,2]=4 986 B10R1.302 CC1(C=CC(=O)CCC1)C CNP0102920.0 [0,1,0,0,0,1|0,0,1]=3 987 B10R1.332 O=C1CCC(C(CO1)O)O CNP0245181.0 [0,1,0,0,0,1|1,0,0]=3 988 B10R1.2 C[C@H]1CCC/C(=N/O)/C1=O CNP0226443.1 [0,2,0,0,0,0|0,0,2]=4 989 B10R1.8 CC[C@@H]1C[C@@H](C[C@@H](C1)C)C CNP0177504.1 [0,2,0,0,0,0|1,0,1]=4 990 B10R1.10 CCC=C1CCOC(=O)C1 CNP0206629.0 [0,2,0,0,0,0|1,0,1]=4 991 B10R1.10 CCCC1CCCC(=O)O1 CNP0002778.0 [0,2,0,0,0,0|1,0,0]=3 992 B10R1.10 CCNC1=CC(=O)CCC1 CNP0039050.0 [0,2,0,0,0,0|0,0,2]=4 993 B10R1.10 CCOC1=CC(=O)CCC1 CNP0056254.0 [0,2,0,0,0,0|0,0,2]=4 994 B10R1.10 CCO[C@@H]1CSCC(=O)N1 CNP0053864.1 [0,2,0,0,0,0|2,0,0]=4 995 B10R1.10 CCO[C@H]1CSCC(=O)N1 CNP0053864.2 [0,2,0,0,0,0|2,0,0]=4 996 B10R1.113 C=C(C)C1=CC(CCC1)C CNP0596114.0 [0,2,0,0,0,0|1,0,1]=4 997 B10R1.113 C=C(C)[C@@H]1C=C(CCC1)C CNP0351688.1 [0,2,0,0,0,0|1,0,1]=4 998 B10R1.113 C=C(C)[C@@H]1CCC=C(C1)C CNP0173733.2 [0,2,0,0,0,0|1,0,1]=4 999 B10R1.113 C=C(C)[C@H]1C=C(CCC1)C CNP0351688.2 [0,2,0,0,0,0|1,0,1]=4 1000 B10R1.113 C=C(C)[C@H]1CCC=C(C1)C CNP0173733.1 [0,2,0,0,0,0|1,0,1]=4 1001 B10R1.113 CC(=O)N1CCC[C@H](C1)C CNP0584694.1 [0,2,0,0,0,0|1,0,0]=3 1002 B10R1.113 CC(C)[C@@H]1CCC[C@@H](C1)C CNP0112809.1 [0,2,0,0,0,0|1,0,1]=4 1003 B10R1.113 CC1CCC[C@@H](N1)C(=O)O CNP0227209.1 [0,2,0,0,0,0|1,0,1]=4 1004 B10R1.113 CN(C)C1=CC(=O)CCC1 CNP0055939.0 [0,2,0,0,0,0|0,0,2]=4 1005 B10R1.113 CN1CCC=C(C1)C(=O)O CNP0266221.0 [0,2,0,0,0,0|1,0,1]=4 1006 B10R1.113 CN1CCCC(C1)C(=O)O CNP0563532.0 [0,2,0,0,0,0|1,0,1]=4 1007 B10R1.113 C[C@@H]1CCC[C@@H](N1)C(=O)O CNP0227209.2 [0,2,0,0,0,0|1,0,1]=4 1008 B10R1.113 C[C@@H]1C[C@@H](CCO1)C(=O)O CNP0370944.3 [0,2,0,0,0,0|1,0,1]=4 1009 B10R1.113 C[C@@H]1C[C@H](CCO1)C(=O)O CNP0370944.4 [0,2,0,0,0,0|1,0,1]=4 1010 B10R1.113 C[C@H]1CCC[C@@H](N1)C(=O)O CNP0227209.3 [0,2,0,0,0,0|1,0,1]=4 1011 B10R1.113 C[C@H]1C[C@@H](CCO1)C(=O)O CNP0370944.2 [0,2,0,0,0,0|1,0,1]=4 1012 B10R1.113 C[C@H]1C[C@H](CCO1)C(=O)O CNP0370944.1 [0,2,0,0,0,0|1,0,1]=4 1013 B10R1.113 N[C@H]1C=C(CCC1)C(=O)O CNP0277153.1 [0,2,0,0,0,0|1,0,1]=4 1014 B10R1.113 O=C1CCCC(C1)C(=O)O CNP0612018.0 [0,2,0,0,0,0|0,0,1]=3 1015 B10R1.113 O=C1CCCC(N1)C(=O)O CNP0082266.0 [0,2,0,0,0,0|1,0,1]=4 1016 B10R1.113 O=C1CCN[C@@H](C1)C(=O)O CNP0137744.1 [0,2,0,0,0,0|1,0,1]=4 1017 B10R1.176 O=C1C[C@H](OC[C@@H]1O)CO CNP0110363.1 [0,2,0,0,0,0|1,0,0]=3 1018 B10R1.485 C=C[C@@]1(CCOC(=O)C1)O CNP0311946.1 [0,2,0,0,0,0|1,0,1]=4 1019 B10R1.485 C=C[C@]1(CCOC(=O)C1)O CNP0311946.2 [0,2,0,0,0,0|1,0,1]=4 1020 B10R1.485 CC[C@@]1(CCC[C@@H](C1)C)O CNP0046159.2 [0,2,0,0,0,0|0,0,2]=4 1021 B10R1.485 CC[C@@]1(CCC[C@H](C1)C)O CNP0046159.3 [0,2,0,0,0,0|0,0,2]=4 1022 B10R1.485 CC[C@]1(CCC[C@@H](C1)C)O CNP0046159.4 [0,2,0,0,0,0|0,0,2]=4 1023 B10R1.485 CC[C@]1(CCC[C@H](C1)C)O CNP0046159.1 [0,2,0,0,0,0|0,0,2]=4 1024 B10R1.22 CC1=C(C(=O)C[C@@H](C1)O)C CNP0299225.1 [0,2,0,0,0,0|0,0,2]=4 1025 B10R1.22 CC1=CC(=O)C[C@@H]([C@H]1O)O CNP0177543.1 [0,2,0,0,0,0|0,0,2]=4 1026 B10R1.119 CN1C(=O)[C@@H](CC[C@H]1O)O CNP0116469.1 [0,2,0,0,0,0|2,0,0]=4 1027 B10R1.119 O=C1OC[C@H]([C@@H]([C@H]1O)O)O CNP0214480.1 [0,2,0,0,0,0|2,0,0]=4 1028 B10R1.329 CC1(CC(=O)C=C(C1)O)C CNP0462432.0 [0,2,0,0,0,0|0,0,2]=4 1029 B10R1.329 CC1(CC(=O)CC(=O)C1)C CNP0566053.0 [0,2,0,0,0,0|0,0,1]=3 1030 B10R1.329 CC1=CC(=O)CC(C1)(C)C CNP0196251.0 [0,2,0,0,0,0|0,0,2]=4 1031 B10R1.329 CC1=CC(CC(=O)C1)(C)C CNP0135841.0 [0,2,0,0,0,0|0,0,2]=4 1032 B10R1.329 CC1=C[C@@H](CC(C1)(C)C)O CNP0077291.2 [0,2,0,0,0,0|1,0,1]=4 1033 B10R1.329 CC1=C[C@H](CC(C1)(C)C)O CNP0077291.1 [0,2,0,0,0,0|1,0,1]=4 1034 B10R1.329 CC1CC(CC(C1)(C)C)O CNP0003654.0 [0,2,0,0,0,0|0,0,2]=4 1035 B10R1.329 C[C@@H]1CC(=O)CC(C1)(C)C CNP0419285.1 [0,2,0,0,0,0|0,0,0]=2 1036 B10R1.329 C[C@@]1(CC(=O)O[C@H](C1)O)O CNP0293170.1 [0,2,0,0,0,0|1,0,0]=3 1037 B10R1.120 CC1(OC(=O)CC[C@@H]1O)C CNP0280120.1 [0,2,0,0,0,0|1,0,0]=3 1038 B10R1.25 CC[C@@H]1COC(=O)C[C@H]1O CNP0109096.1 [0,2,0,0,0,0|2,0,0]=4 1039 B10R1.25 CC[C@H]1COC(=O)C[C@H]1O CNP0109096.2 [0,2,0,0,0,0|2,0,0]=4 1040 B10R1.63 CC1=CC(=O)C(CC1)(C)C CNP0610544.0 [0,2,0,0,0,0|0,0,2]=4 1041 B10R1.118 C[C@@H]1C[C@@H]([C@@H](C[C@H]1O)O)O CNP0372553.5 [0,2,0,0,0,0|0,0,2]=4 1042 B10R1.118 C[C@@H]1C[C@@H]([C@H](C[C@H]1C)C)C CNP0183365.1 [0,2,0,0,0,0|1,0,1]=4 1043 B10R1.118 C[C@@H]1C[C@H]([C@@H](C[C@@H]1O)O)O CNP0372553.6 [0,2,0,0,0,0|0,0,2]=4 1044 B10R1.118 C[C@@H]1C[C@H]([C@@H](OC1=O)C)C CNP0283141.1 [0,2,0,0,0,0|1,0,0]=3 1045 B10R1.118 C[C@@H]1O[C@H]([C@H](CC1=O)O)O CNP0321128.2 [0,2,0,0,0,0|2,0,0]=4 1046 B10R1.118 C[C@H]1C[C@@H]([C@@H](C[C@@H]1O)O)O CNP0372553.3 [0,2,0,0,0,0|0,0,2]=4 1047 B10R1.118 C[C@H]1C[C@@H]([C@@H](C[C@H]1O)O)O CNP0372553.1 [0,2,0,0,0,0|0,0,2]=4 1048 B10R1.118 C[C@H]1C[C@@H]([C@H](C[C@H]1O)O)O CNP0372553.4 [0,2,0,0,0,0|0,0,2]=4 1049 B10R1.118 C[C@H]1C[C@H]([C@H](C[C@@H]1O)O)O CNP0372553.2 [0,2,0,0,0,0|0,0,2]=4 1050 B10R1.118 C[C@H]1O[C@@H]([C@@H](CC1=O)O)O CNP0321128.1 [0,2,0,0,0,0|2,0,0]=4 1051 B8R1.31 C[C@@H](O)[C@@H]1CNC1=O CNP0044057.1 [0,0,1,1,0,0|2,0,0]=4 1052 B8R1.43 CCC1OC1C(=O)C CNP0555842.0 [0,0,1,1,0,0|1,0,0]=3 1053 B8R1.7 CC(=O)C1=NCCC1 CNP0003511.0 [0,0,1,1,0,0|1,0,1]=4 1054 B8R1.7 CC(=O)C1CCCN1 CNP0077115.0 [0,0,1,1,0,0|1,0,0]=3 1055 B8R1.7 CC(=O)C1CCSS1 CNP0238288.0 [0,0,1,1,0,0|2,0,0]=4 1056 B8R1.7 CC(C)C1CCCC1 CNP0315126.0 [0,0,1,1,0,0|1,0,1]=4 1057 B8R1.7 CC(O)C1CCCC1 CNP0082077.0 [0,0,1,1,0,0|0,0,2]=4 1058 B8R1.7 NC(=O)N1CCCC1 CNP0254929.0 [0,0,1,1,0,0|2,0,0]=4 1059 B8R1.7 NC(=O)[C@@H]1CCCN1 CNP0120914.1 [0,0,1,1,0,0|2,0,0]=4 1060 B8R1.7 O=C(O)C1CCCC1 CNP0135626.0 [0,0,1,1,0,0|1,0,0]=3 1061 B8R1.7 O=C(O)C1CCCS1 CNP0033094.0 [0,0,1,1,0,0|2,0,0]=4 1062 B8R1.7 O=C(O)[C@@H]1CCCN1 CNP0219104.1 [0,0,1,1,0,0|2,0,0]=4 1063 B8R1.7 O=C(O)[C@@H]1CCNC1 CNP0278075.2 [0,0,1,1,0,0|2,0,0]=4 1064 B8R1.7 O=C(O)[C@H]1CCCN1 CNP0219104.2 [0,0,1,1,0,0|2,0,0]=4 1065 B8R1.7 O=C(O)[C@H]1CCCO1 CNP0573832.1 [0,0,1,1,0,0|2,0,0]=4 1066 B8R1.7 O=C(O)[C@H]1CCNC1 CNP0278075.1 [0,0,1,1,0,0|2,0,0]=4 1067 B8R1.22 CC1CCCCCC1 CNP0214318.0 [0,0,1,1,0,0|1,0,1]=4 1068 B8R1.22 NC1=NCCCCC1 CNP0446960.0 [0,0,1,1,0,0|2,0,0]=4 1069 B8R1.22 NC1=[NH+]CCCCC1 CNP0594018.0 [0,0,1,1,0,0|2,0,0]=4 1070 B8R1.22 O=C1CC=CCCC1 CNP0354385.0 [0,0,1,1,0,0|0,0,2]=4 1071 B8R1.22 O=C1CCCCCC1 CNP0486939.0 [0,0,1,1,0,0|0,0,0]=2 1072 B8R1.22 O=C1CCCCCN1 CNP0157959.0 [0,0,1,1,0,0|1,0,0]=3 1073 B8R1.22 O=C1CCCCCO1 CNP0358428.0 [0,0,1,1,0,0|1,0,0]=3 1074 B8R1.22 O=C1NCCCCN1 CNP0433632.0 [0,0,1,1,0,0|2,0,0]=4 1075 B8R1.22 OC1=NCCCCC1 CNP0523769.0 [0,0,1,1,0,0|1,0,1]=4 1076 B8R1.36 CCCCCC1CC1 CNP0610547.0 [0,0,1,1,0,0|1,0,1]=4 1077 B8R1.8 CCC=C1CCCC1 CNP0325076.0 [0,0,1,1,0,0|1,0,1]=4 1078 B8R1.8 CCCC1CCCC1 CNP0271421.0 [0,0,1,1,0,0|1,0,1]=4 1079 B8R1.8 O=CCC1CC=CC1 CNP0086435.0 [0,0,1,1,0,0|0,0,2]=4 1080 B8R1.37 CCCC(C)C1CO1 CNP0076696.0 [0,0,1,1,0,0|0,0,2]=4 1081 B8R2.11 C=C1C2C1CCC2 CNP0538845.0 [1,0,0,1,0,0|1,0,0]=3 1082 B8R2.25 C1CCC2OC2C1 CNP0609031.0 [1,0,0,1,0,0|0,0,2]=4 1083 B8R2.25 C1CC[C@@H]2C[C@H]2C1 CNP0258217.1 [1,0,0,1,0,0|0,0,1]=3 1084 B8R2.34 C1CC2OCC1O2 CNP0611976.0 [1,0,0,1,0,0|2,0,0]=4 1085 B8R2.38 CC1C=CC2C1C2 CNP0482788.0 [1,0,0,1,0,0|0,0,1]=3 1086 B8R2.8 CC12CCC1(C2)C CNP0076854.0 [0,0,0,1,1,0|1,0,1]=4 1087 B10R2.71 O=C1C[C@H]2C=C[C@@H](C1)C2 CNP0061415.1 [0,0,0,1,0,1|0,0,1]=3 1088 B10R2.174 C=C1CCC2C1C(=O)N2 CNP0193176.0 [0,0,0,1,0,1|0,0,2]=4 1089 B10R2.244 O=C1NCCCC2C1O2 CNP0610958.0 [0,0,0,1,0,1|1,0,0]=3 1090 B10R2.244 O=C1NCCC[C@@H]2[C@H]1O2 CNP0610958.1 [0,0,0,1,0,1|1,0,0]=3 1091 B10R2.179 CC12CCCC(=O)C1O2 CNP0566501.0 [0,0,0,1,0,1|0,0,0]=2 1092 B10R2.179 CC12CCCC(C1O2)O CNP0426753.0 [0,0,0,1,0,1|0,0,2]=4 1093 B10R2.62 CC1CC2CCC1CC2 CNP0127500.0 [0,1,0,1,0,0|1,0,1]=4 1094 B10R2.62 O=C1CC2C=CC1CC2 CNP0334741.0 [0,1,0,1,0,0|0,0,1]=3 1095 B10R2.25 CC1=C([C@H]2CC[C@@H]1C2)C CNP0320008.1 [0,1,0,1,0,0|1,0,1]=4 1096 B10R2.36 O=C1[C@@H]2CC[C@@H]([C@H]1C2)O CNP0519128.1 [0,1,0,1,0,0|1,0,0]=3 1097 B10R2.28 CC1(CC2CCC1C2)O CNP0489995.0 [0,1,0,1,0,0|0,0,2]=4 1098 B10R3.266 C1CC23CC1CC2C3 CNP0610503.0 [0,0,0,2,0,0|1,0,1]=4 1099 B6R0.3 C=C(C)[C@H](C)CC CNP0076705.1 [0,0,1,0,1,0|1,0,0]=3 1100 B6R0.3 C=CC(=O)C(C)C CNP0350661.0 [0,0,1,0,1,0|0,0,2]=4 1101 B6R0.3 CC(=O)C(C)C#N CNP0503071.0 [0,0,1,0,1,0|1,0,1]=4 1102 B6R0.3 CC(Br)C(=O)CBr CNP0435945.0 [0,0,1,0,1,0|2,0,0]=4 1103 B6R0.3 CC(C)C(=O)C#N CNP0344819.0 [0,0,1,0,1,0|1,0,1]=4 1104 B6R0.3 CC(O)C(=O)CO CNP0185354.0 [0,0,1,0,1,0|2,0,0]=4 1105 B6R0.3 CC=C(C)C(=O)C CNP0119709.0 [0,0,1,0,1,0|0,0,2]=4 1106 B6R0.3 CCC(=C(C)C)C CNP0076862.0 [0,0,1,0,1,0|1,0,1]=4 1107 B6R0.3 CCC(=O)C(=O)C CNP0311036.0 [0,0,1,0,1,0|1,0,1]=4 1108 B6R0.3 CCC(=O)C(C)C CNP0169958.0 [0,0,1,0,1,0|0,0,0]=2 1109 B6R0.3 CCC(=O)C(C)S CNP0003027.0 [0,0,1,0,1,0|1,0,0]=3 1110 B6R0.3 CCC(=O)N(C)C CNP0205998.0 [0,0,1,0,1,0|1,0,0]=3 1111 B6R0.3 CCC(=O)[C@H](C)N CNP0316941.1 [0,0,1,0,1,0|1,0,0]=3 1112 B6R0.3 CCC(=O)[C@H](C)O CNP0287252.1 [0,0,1,0,1,0|1,0,0]=3 1113 B6R0.3 CCC(O)C(=O)C CNP0413470.0 [0,0,1,0,1,0|1,0,0]=3 1114 B6R0.3 CCC(O)C(C)C CNP0265736.0 [0,0,1,0,1,0|0,0,2]=4 1115 B6R0.3 CCC(S)C(=O)C CNP0064467.0 [0,0,1,0,1,0|1,0,0]=3 1116 B6R0.3 CCC(S)C(C)C CNP0611989.0 [0,0,1,0,1,0|0,1,1]=4 1117 B6R0.3 CC[C@@H](C)C(=O)C CNP0151175.1 [0,0,1,0,1,0|0,0,0]=2 1118 B6R0.3 CC[C@@H](C)C(=O)Cl CNP0146254.2 [0,0,1,0,1,0|1,0,0]=3 1119 B6R0.3 CC[C@@H](C)C(=O)N CNP0157695.1 [0,0,1,0,1,0|1,0,0]=3 1120 B6R0.3 CC[C@@H](C)C(=O)O CNP0187792.1 [0,0,1,0,1,0|1,0,0]=3 1121 B6R0.3 CC[C@@H](C)[C@@H](C)O CNP0061619.1 [0,0,1,0,1,0|0,0,2]=4 1122 B6R0.3 CC[C@@H](N)C(=O)O CNP0243222.1 [0,0,1,0,1,0|2,0,0]=4 1123 B6R0.3 CC[C@@H](O)C(=O)C CNP0413470.1 [0,0,1,0,1,0|1,0,0]=3 1124 B6R0.3 CC[C@@H](O)C(=O)O CNP0162708.1 [0,0,1,0,1,0|2,0,0]=4 1125 B6R0.3 CC[C@H](C)C(=O)C CNP0151175.2 [0,0,1,0,1,0|0,0,0]=2 1126 B6R0.3 CC[C@H](C)C(=O)Cl CNP0146254.1 [0,0,1,0,1,0|1,0,0]=3 1127 B6R0.3 CC[C@H](C)C(=O)N CNP0157695.2 [0,0,1,0,1,0|1,0,0]=3 1128 B6R0.3 CC[C@H](C)C(=O)O CNP0187792.2 [0,0,1,0,1,0|1,0,0]=3 1129 B6R0.3 CC[C@H](C)C(C)C CNP0304167.1 [0,0,1,0,1,0|1,0,1]=4 1130 B6R0.3 CC[C@H](C)[C@@H](C)O CNP0061619.2 [0,0,1,0,1,0|0,0,2]=4 1131 B6R0.3 CC[C@H](N)C(=O)O CNP0243222.3 [0,0,1,0,1,0|2,0,0]=4 1132 B6R0.3 CC[C@H](O)C(=O)O CNP0162708.2 [0,0,1,0,1,0|2,0,0]=4 1133 B6R0.3 CNC(=O)N(C)C CNP0499080.0 [0,0,1,0,1,0|2,0,0]=4 1134 B6R0.3 CN[C@@H](C)C(=O)O CNP0126063.1 [0,0,1,0,1,0|2,0,0]=4 1135 B6R0.3 CN[C@H](C)C(=O)O CNP0126063.2 [0,0,1,0,1,0|2,0,0]=4 1136 B6R0.3 COC(=O)C(C)C CNP0354997.0 [0,0,1,0,1,0|1,0,0]=3 1137 B6R0.3 COC(=O)[C@@H](C)N CNP0396122.3 [0,0,1,0,1,0|2,0,0]=4 1138 B6R0.3 COC(=O)[C@@H](C)O CNP0238296.2 [0,0,1,0,1,0|2,0,0]=4 1139 B6R0.3 COC(=O)[C@H](C)N CNP0396122.2 [0,0,1,0,1,0|2,0,0]=4 1140 B6R0.3 COC(=O)[C@H](C)O CNP0238296.1 [0,0,1,0,1,0|2,0,0]=4 1141 B6R0.3 COC(=S)C(C)C CNP0507266.0 [0,0,1,0,1,0|1,1,0]=4 1142 B6R0.3 CO[C@@H](C)C(=O)C CNP0325332.1 [0,0,1,0,1,0|1,0,0]=3 1143 B6R0.3 CSC(C)C(=O)C CNP0075921.0 [0,0,1,0,1,0|1,0,0]=3 1144 B6R0.3 C[C@@H](CN)C(=O)O CNP0291505.1 [0,0,1,0,1,0|2,0,0]=4 1145 B6R0.3 C[C@@H](CO)C(=O)O CNP0257203.1 [0,0,1,0,1,0|2,0,0]=4 1146 B6R0.3 C[C@H](CN)C(=O)O CNP0291505.2 [0,0,1,0,1,0|2,0,0]=4 1147 B6R0.3 C[C@H](CO)C(=O)O CNP0257203.2 [0,0,1,0,1,0|2,0,0]=4 1148 B6R1.2 C=C1CCCC1 CNP0338602.0 [1,0,0,0,1,0|1,0,0]=3 1149 B6R1.2 CC1=CCCC1 CNP0610106.0 [1,0,0,0,1,0|0,0,1]=3 1150 B6R1.2 CC1=CCCS1 CNP0003101.0 [1,0,0,0,1,0|1,0,1]=4 1151 B6R1.2 CC1=CCOC1 CNP0516552.0 [1,0,0,0,1,0|1,0,1]=4 1152 B6R1.2 CC1=COCC1 CNP0002470.0 [1,0,0,0,1,0|1,0,1]=4 1153 B6R1.2 CC1C=COC1 CNP0165220.0 [1,0,0,0,1,0|1,0,1]=4 1154 B6R1.2 CC1CC=CS1 CNP0249135.0 [1,0,0,0,1,0|1,0,1]=4 1155 B6R1.2 CC1CCCC1 CNP0194612.0 [1,0,0,0,1,0|0,0,0]=2 1156 B6R1.2 CC1CCCO1 CNP0502439.0 [1,0,0,0,1,0|1,0,0]=3 1157 B6R1.2 CC1OCCO1 CNP0611683.0 [1,0,0,0,1,0|2,0,0]=4 1158 B6R1.2 CC1SCCS1 CNP0002932.0 [1,0,0,0,1,0|2,0,0]=4 1159 B6R1.2 CN1CC=CC1 CNP0257888.0 [1,0,0,0,1,0|1,0,1]=4 1160 B6R1.2 CN1CCCC1 CNP0395436.0 [1,0,0,0,1,0|1,0,0]=3 1161 B6R1.2 C[C@@H]1C=CNC1 CNP0309884.1 [1,0,0,0,1,0|1,0,1]=4 1162 B6R1.2 C[C@@H]1CCCN1 CNP0080827.1 [1,0,0,0,1,0|1,0,0]=3 1163 B6R1.2 C[C@@H]1CCSC1 CNP0174337.1 [1,0,0,0,1,0|1,0,0]=3 1164 B6R1.2 C[C@H]1NCCS1 CNP0150573.1 [1,0,0,0,1,0|2,0,0]=4 1165 B6R1.2 C[N+]1=CCCC1 CNP0251573.0 [1,0,0,0,1,0|1,0,0]=3 1166 B6R1.2 NN1CCCC1 CNP0577233.0 [1,0,0,0,1,0|2,0,0]=4 1167 B6R1.2 O=C1C=CCC1 CNP0122561.0 [1,0,0,0,1,0|0,0,2]=4 1168 B6R1.2 O=C1CCCC1 CNP0287963.0 [1,0,0,0,1,0|0,0,0]=2 1169 B6R1.2 O=C1CCCN1 CNP0127855.0 [1,0,0,0,1,0|1,0,0]=3 1170 B6R1.2 O=C1CCCO1 CNP0315299.0 [1,0,0,0,1,0|1,0,0]=3 1171 B6R1.2 O=C1CCCS1 CNP0084584.0 [1,0,0,0,1,0|1,0,0]=3 1172 B6R1.2 O=C1CCNN1 CNP0035182.0 [1,0,0,0,1,0|2,0,0]=4 1173 B6R1.2 O=C1CCOC1 CNP0051503.0 [1,0,0,0,1,0|1,0,0]=3 1174 B6R1.2 O=C1CCON1 CNP0325381.0 [1,0,0,0,1,0|2,0,0]=4 1175 B6R1.2 O=C1CCSC1 CNP0003522.0 [1,0,0,0,1,0|1,0,0]=3 1176 B6R1.2 O=C1NCCO1 CNP0064744.0 [1,0,0,0,1,0|2,0,0]=4 1177 B6R1.2 OC1=NCCC1 CNP0485346.0 [1,0,0,0,1,0|1,0,1]=4 1178 B6R1.2 OC1CCCC1 CNP0085994.0 [1,0,0,0,1,0|1,0,0]=3 1179 B6R1.2 SC1CCCC1 CNP0280825.0 [1,0,0,0,1,0|1,0,0]=3 1180 B6R1.2 SC1CCCS1 CNP0002503.0 [1,0,0,0,1,0|2,0,0]=4 1181 B6R1.2 [O-][N+]1=CCCC1 CNP0558986.0 [1,0,0,0,1,0|2,0,0]=4 1182 B6R1.4 C[C@@H]1CCC1=O CNP0253900.1 [0,0,0,0,2,0|0,0,0]=2 1183 B6R1.5 C[C@H]1CC(=O)O1 CNP0232064.1 [0,0,0,0,2,0|1,0,0]=3 1184 B6R1.5 O=C1C[C@@H](O1)O CNP0300715.1 [0,0,0,0,2,0|2,0,0]=4 1185 B10R1.71 O=C1CCCNC(=O)CN1 CNP0188446.0 [0,0,0,0,0,2|1,0,1]=4 1186 B10R1.71 O=C1COC(=O)CCCN1 CNP0119732.0 [0,0,0,0,0,2|1,0,1]=4