0 B7R0.6 C=C(C)CCC(=O)C CNP0003362.0 [0,0,0,0,0,0|1,0,2]=3 1 B7R0.6 CC(=CC=C(C)C)C CNP0084726.0 [0,0,0,0,0,0|2,0,2]=4 2 B7R0.6 CC(=CCC(=O)O)C CNP0178388.0 [0,0,0,0,0,0|2,0,2]=4 3 B7R0.6 CC(=O)C=CC(=O)C CNP0303603.0 [0,0,0,0,0,0|2,0,2]=4 4 B7R0.6 CC(=O)C=CC(C)C CNP0282647.0 [0,0,0,0,0,0|1,0,1]=2 5 B7R0.6 CC(=O)CCC(=O)C CNP0291926.0 [0,0,0,0,0,0|2,0,1]=3 6 B7R0.6 CC(=O)CCC(=O)O CNP0267906.0 [0,0,0,0,0,0|3,0,1]=4 7 B7R0.6 CC(=O)CCC(=O)[O-] CNP0515624.0 [0,0,0,0,0,0|3,0,1]=4 8 B7R0.6 CC(=O)CCC(=O)[O-] CNP0577778.0 [0,0,0,0,0,0|3,0,1]=4 9 B7R0.6 CC(=O)CCC(C)C CNP0109911.0 [0,0,0,0,0,0|1,0,0]=1 10 B7R0.6 CC(=O)COC(=O)C CNP0316161.0 [0,0,0,0,0,0|1,0,1]=2 11 B7R0.6 CC(=O)COC(C)C CNP0500658.0 [0,0,0,0,0,0|2,0,0]=2 12 B7R0.6 CC(=O)NCC(=O)O CNP0232085.0 [0,0,0,0,0,0|3,0,1]=4 13 B7R0.6 CC(=O)NCC(C)C CNP0330824.0 [0,0,0,0,0,0|1,0,0]=1 14 B7R0.6 CC(=O)NNC(=O)C CNP0226263.0 [0,0,0,0,0,0|3,0,1]=4 15 B7R0.6 CC(=O)NOC(=O)C CNP0050805.0 [0,0,0,0,0,0|2,0,1]=3 16 B7R0.6 CC(=O)OCC(C)C CNP0233943.0 [0,0,0,0,0,0|0,0,0]=0 17 B7R0.6 CC(=O)ONC(=N)N CNP0548365.0 [0,0,0,0,0,0|3,0,1]=4 18 B7R0.6 CC(=O)OOC(=O)C CNP0196667.0 [0,0,0,0,0,0|2,0,1]=3 19 B7R0.6 CC(C)C=CC(=O)Cl CNP0373188.0 [0,0,0,0,0,0|2,0,1]=3 20 B7R0.6 CC(C)C=CC(=O)O CNP0205254.0 [0,0,0,0,0,0|2,0,1]=3 21 B7R0.6 CC(C)CCC(=O)Cl CNP0308408.0 [0,0,0,0,0,0|2,0,0]=2 22 B7R0.6 CC(C)CCC(=O)N CNP0148296.0 [0,0,0,0,0,0|2,0,0]=2 23 B7R0.6 CC(C)CCC(=O)O CNP0414918.0 [0,0,0,0,0,0|2,0,0]=2 24 B7R0.6 CC(C)CCC(C)C CNP0238949.0 [0,0,0,0,0,0|2,0,1]=3 25 B7R0.6 CC(C)CN[S+](C)[O-] CNP0568389.0 [0,0,0,0,0,0|2,0,1]=3 26 B7R0.6 CC(C)SSC(C)C CNP0325954.0 [0,0,0,0,0,0|2,1,1]=4 27 B7R0.6 CC(O)COC(C)C CNP0503370.0 [0,0,0,0,0,0|2,0,1]=3 28 B7R0.6 CS(C)CCC(=O)O CNP0168459.0 [0,0,0,0,0,0|3,0,0]=3 29 B7R0.6 C[C@H](O)CCC(=O)O CNP0154959.1 [0,0,0,0,0,0|3,0,0]=3 30 B7R0.6 C[NH+](C)CCC(=O)[O-] CNP0361663.0 [0,0,0,0,0,0|3,0,0]=3 31 B7R0.6 C[S+](C)CCC(=O)O CNP0349807.0 [0,0,0,0,0,0|3,0,0]=3 32 B7R0.6 C[S+](C)CCC(=O)O CNP0550706.0 [0,0,0,0,0,0|3,0,0]=3 33 B7R0.6 C[S+](C)CCC(=O)[O-] CNP0152869.0 [0,0,0,0,0,0|3,0,0]=3 34 B7R0.6 C[S+](C)CCC(=O)[O-] CNP0540473.0 [0,0,0,0,0,0|3,0,0]=3 35 B7R0.6 C[S@+]([O-])CCC(=O)O CNP0497394.1 [0,0,0,0,0,0|4,0,0]=4 36 B7R0.6 C[S](C)CCC(=O)O CNP0603322.0 [0,0,0,0,0,0|3,0,0]=3 37 B6R0.4 C=C(C)CCSC CNP0330891.0 [1,0,0,0,0,0|3,0,0]=4 38 B6R0.4 C=CCCC(=O)C CNP0610109.0 [1,0,0,0,0,0|1,0,2]=4 39 B6R0.4 C=CCCC(C)O CNP0519217.0 [1,0,0,0,0,0|2,0,1]=4 40 B6R0.4 C=CCOC(=O)C CNP0175648.0 [1,0,0,0,0,0|0,0,2]=3 41 B6R0.4 C=CCSC(=O)C CNP0301401.0 [1,0,0,0,0,0|0,1,2]=4 42 B6R0.4 C=CCSC(C)C CNP0309084.0 [1,0,0,0,0,0|2,0,1]=4 43 B6R0.4 CC(=CCC=O)C CNP0094675.0 [1,0,0,0,0,0|1,0,2]=4 44 B6R0.4 CC(=CCCN)C CNP0568876.0 [1,0,0,0,0,0|3,0,0]=4 45 B6R0.4 CC(=CCCO)C CNP0410779.0 [1,0,0,0,0,0|3,0,0]=4 46 B6R0.4 CC(=O)CCC=O CNP0261239.0 [1,0,0,0,0,0|2,0,1]=4 47 B6R0.4 CC(=O)NCCN CNP0182526.0 [1,0,0,0,0,0|2,0,0]=3 48 B6R0.4 CC(=O)NCCO CNP0304709.0 [1,0,0,0,0,0|2,0,0]=3 49 B6R0.4 CC(=O)NCCS CNP0516453.0 [1,0,0,0,0,0|2,0,0]=3 50 B6R0.4 CC(=O)OCCI CNP0274212.0 [1,0,0,0,0,0|1,0,0]=2 51 B6R0.4 CC(=O)OCCN CNP0165405.0 [1,0,0,0,0,0|1,0,0]=2 52 B6R0.4 CC(=O)OCCO CNP0589275.0 [1,0,0,0,0,0|1,0,0]=2 53 B6R0.4 CC(C)C=CC=O CNP0003528.0 [1,0,0,0,0,0|1,0,1]=3 54 B6R0.4 CC(C)CC#CO CNP0482838.0 [1,0,0,0,0,0|1,0,2]=4 55 B6R0.4 CC(C)CC=NO CNP0235743.0 [1,0,0,0,0,0|2,0,1]=4 56 B6R0.4 CC(C)CCC#N CNP0386277.0 [1,0,0,0,0,0|2,0,1]=4 57 B6R0.4 CC(C)CCC=O CNP0198082.0 [1,0,0,0,0,0|1,0,0]=2 58 B6R0.4 CC(C)CCCO CNP0344466.0 [1,0,0,0,0,0|1,0,2]=4 59 B6R0.4 CC(C)CN=C=S CNP0414473.0 [1,0,0,0,0,0|1,1,1]=4 60 B6R0.4 CC(C)CNC=O CNP0473867.0 [1,0,0,0,0,0|1,0,0]=2 61 B6R0.4 CC(C)COC=O CNP0232692.0 [1,0,0,0,0,0|0,0,0]=1 62 B6R0.4 CC(C)CON=O CNP0224607.0 [1,0,0,0,0,0|1,0,0]=2 63 B6R0.4 CC(C)CSC#N CNP0268195.0 [1,0,0,0,0,0|1,1,1]=4 64 B6R0.4 CC(C)OCCO CNP0079907.0 [1,0,0,0,0,0|2,0,1]=4 65 B6R0.4 CC=CC=C(C)C CNP0318303.0 [1,0,0,0,0,0|1,0,2]=4 66 B6R0.4 CC=CCC(C)C CNP0081831.0 [1,0,0,0,0,0|1,0,0]=2 67 B6R0.4 CC=CCC(C)O CNP0217280.0 [1,0,0,0,0,0|2,0,0]=3 68 B6R0.4 CCC=CC(=O)C CNP0129352.0 [1,0,0,0,0,0|1,0,1]=3 69 B6R0.4 CCC=CC(=O)O CNP0185292.0 [1,0,0,0,0,0|2,0,1]=4 70 B6R0.4 CCCC=C(C)O CNP0268446.0 [1,0,0,0,0,0|1,0,1]=3 71 B6R0.4 CCCCC(=O)C CNP0194685.0 [1,0,0,0,0,0|1,0,0]=2 72 B6R0.4 CCCCC(=O)N CNP0248834.0 [1,0,0,0,0,0|2,0,0]=3 73 B6R0.4 CCCCC(=O)O CNP0144818.0 [1,0,0,0,0,0|2,0,0]=3 74 B6R0.4 CCCCC(C)C CNP0312749.0 [1,0,0,0,0,0|1,0,1]=3 75 B6R0.4 CCCC[11C](=O)O CNP0540258.0 [1,0,0,0,0,0|2,0,0]=3 76 B6R0.4 CCCC[C@@H](C)O CNP0276755.1 [1,0,0,0,0,0|1,0,2]=4 77 B6R0.4 CCCC[C@H](C)O CNP0276755.2 [1,0,0,0,0,0|1,0,2]=4 78 B6R0.4 CCCNC(=O)C CNP0115400.0 [1,0,0,0,0,0|1,0,0]=2 79 B6R0.4 CCCOC(=O)C CNP0274142.0 [1,0,0,0,0,0|0,0,0]=1 80 B6R0.4 CCCSC(=O)C CNP0076500.0 [1,0,0,0,0,0|0,1,0]=2 81 B6R0.4 CCCSC(C)C CNP0228244.0 [1,0,0,0,0,0|1,1,1]=4 82 B6R0.4 CCCSC(C)S CNP0609747.0 [1,0,0,0,0,0|0,2,1]=4 83 B6R0.4 CCCS[S+](C)[O-] CNP0597218.0 [1,0,0,0,0,0|1,1,1]=4 84 B6R0.4 CCNCC(=O)O CNP0076362.0 [1,0,0,0,0,0|3,0,0]=4 85 B6R0.4 CCNCC(C)C CNP0165310.0 [1,0,0,0,0,0|1,0,1]=3 86 B6R0.4 CCOCC(=O)N CNP0329352.0 [1,0,0,0,0,0|3,0,0]=4 87 B6R0.4 CCOCC(=O)O CNP0229583.0 [1,0,0,0,0,0|3,0,0]=4 88 B6R0.4 CCOC[C@@H](C)O CNP0076159.1 [1,0,0,0,0,0|1,0,1]=3 89 B6R0.4 CCSCC(C)C CNP0208462.0 [1,0,0,0,0,0|0,1,1]=3 90 B6R0.4 CCSSC(C)C CNP0003135.0 [1,0,0,0,0,0|1,1,1]=4 91 B6R0.4 CNCCC(=O)O CNP0502963.0 [1,0,0,0,0,0|3,0,0]=4 92 B6R0.4 CNCCC(C)C CNP0254439.0 [1,0,0,0,0,0|2,0,0]=3 93 B6R0.4 COCC=C(C)C CNP0493784.0 [1,0,0,0,0,0|3,0,0]=4 94 B6R0.4 COCCC(C)C CNP0316382.0 [1,0,0,0,0,0|2,0,0]=3 95 B6R0.4 COCCN(C)C CNP0429553.0 [1,0,0,0,0,0|3,0,0]=4 96 B6R0.4 CSCCC(=O)C CNP0353152.0 [1,0,0,0,0,0|2,0,0]=3 97 B6R0.4 CSCCC(=O)N CNP0220146.0 [1,0,0,0,0,0|3,0,0]=4 98 B6R0.4 CSCCC(=O)O CNP0143779.0 [1,0,0,0,0,0|3,0,0]=4 99 B6R0.4 CSCC[C@@H](C)O CNP0206291.1 [1,0,0,0,0,0|3,0,0]=4 100 B6R0.4 CSCSC(=O)C CNP0232862.0 [1,0,0,0,0,0|1,1,0]=3 101 B6R0.4 C[N+]CCC(=O)[O-] CNP0588104.0 [1,0,0,0,0,0|3,0,0]=4 102 B6R0.4 C[S+](C)CCC=O CNP0136791.0 [1,0,0,0,0,0|2,0,0]=3 103 B6R0.4 NC(=O)CCCO CNP0573523.0 [1,0,0,0,0,0|3,0,0]=4 104 B6R0.4 NCCCC(=O)O CNP0116256.0 [1,0,0,0,0,0|3,0,0]=4 105 B6R0.4 O=C(O)CCCO CNP0236331.0 [1,0,0,0,0,0|3,0,0]=4 106 B6R0.4 O=C([O-])CCCO CNP0492590.0 [1,0,0,0,0,0|3,0,0]=4 107 B6R0.4 O=S(=O)OCCO CNP0082071.0 [1,0,0,0,0,0|3,0,0]=4 108 B8R0.9 C=CC(C)CCC(=C)C CNP0517819.0 [0,1,0,0,0,0|2,0,1]=4 109 B8R0.9 C=CC(C)CCC(=O)C CNP0480823.0 [0,1,0,0,0,0|1,0,1]=3 110 B8R0.9 CC(=NO)CCC(C)C CNP0165038.0 [0,1,0,0,0,0|1,0,1]=3 111 B8R0.9 CC(=O)OC[C@@H](O)CO CNP0178275.2 [0,1,0,0,0,0|1,0,0]=2 112 B8R0.9 CC(=O)OC[C@H](O)CO CNP0178275.1 [0,1,0,0,0,0|1,0,0]=2 113 B8R0.9 CC=C(C)CCC(=O)C CNP0152365.0 [0,1,0,0,0,0|1,0,1]=3 114 B8R0.9 CC=C(C)COC(=O)C CNP0535362.0 [0,1,0,0,0,0|0,0,1]=2 115 B8R0.9 CCC(=O)CC=C(C)C CNP0559660.0 [0,1,0,0,0,0|1,0,2]=4 116 B8R0.9 CCC(=O)CCC(=O)C CNP0351129.0 [0,1,0,0,0,0|2,0,1]=4 117 B8R0.9 CCC(=O)CCC(C)C CNP0542568.0 [0,1,0,0,0,0|1,0,0]=2 118 B8R0.9 CCC(=O)CC[C@H](C)O CNP0304826.1 [0,1,0,0,0,0|2,0,0]=3 119 B8R0.9 CCC(=O)COC(=O)C CNP0146309.0 [0,1,0,0,0,0|1,0,1]=3 120 B8R0.9 CCC(=O)OCC(C)C CNP0246924.0 [0,1,0,0,0,0|0,0,0]=1 121 B8R0.9 CCC(C)C=CC(=O)C CNP0546315.0 [0,1,0,0,0,0|1,0,1]=3 122 B8R0.9 CCC(C)CCC(=O)C CNP0351126.0 [0,1,0,0,0,0|1,0,0]=2 123 B8R0.9 CCC(C)CCC(C)C CNP0495437.0 [0,1,0,0,0,0|2,0,1]=4 124 B8R0.9 CCC(C)CCC(C)O CNP0076364.0 [0,1,0,0,0,0|1,0,2]=4 125 B8R0.9 CCC(O)CCC(C)C CNP0554641.0 [0,1,0,0,0,0|1,0,2]=4 126 B8R0.9 CC[C@@H](C)/C=C/C(=O)O CNP0190272.2 [0,1,0,0,0,0|2,0,1]=4 127 B8R0.9 CC[C@@H](C)COC(=O)C CNP0147650.2 [0,1,0,0,0,0|0,0,0]=1 128 B8R0.9 CC[C@@H](N)CCC(=O)O CNP0584054.1 [0,1,0,0,0,0|3,0,0]=4 129 B8R0.9 CC[C@H](C)/C=C/C(=O)O CNP0190272.1 [0,1,0,0,0,0|2,0,1]=4 130 B8R0.9 CC[C@H](C)CCC(=O)O CNP0326615.1 [0,1,0,0,0,0|2,0,0]=3 131 B8R0.9 CC[C@H](C)CNC(=N)S CNP0608891.1 [0,1,0,0,0,0|2,1,0]=4 132 B8R0.9 CC[C@H](C)CNC(=S)N CNP0172318.1 [0,1,0,0,0,0|2,1,0]=4 133 B8R0.9 CC[C@H](C)COC(=O)C CNP0147650.1 [0,1,0,0,0,0|0,0,0]=1 134 B8R0.9 CNC(=O)CNC(=O)C CNP0066321.0 [0,1,0,0,0,0|2,0,1]=4 135 B8R0.9 COC(=O)CC=C(C)C CNP0248108.0 [0,1,0,0,0,0|1,0,2]=4 136 B8R0.9 COC(=O)CCC(=O)C CNP0333853.0 [0,1,0,0,0,0|2,0,1]=4 137 B8R0.9 COC(=O)CCC(C)C CNP0318638.0 [0,1,0,0,0,0|1,0,0]=2 138 B8R0.9 COC(=O)CNC(=O)C CNP0234479.0 [0,1,0,0,0,0|2,0,1]=4 139 B8R0.9 CSC(=O)CCC(C)C CNP0017780.0 [0,1,0,0,0,0|1,0,0]=2 140 B8R0.9 NC[C@@H](N)CCC(=O)O CNP0280989.1 [0,1,0,0,0,0|3,0,0]=4 141 B8R0.9 NC[C@@H](O)CCC(=O)O CNP0204037.1 [0,1,0,0,0,0|3,0,0]=4 142 B8R0.9 NC[C@H](N)CCC(=O)O CNP0280989.2 [0,1,0,0,0,0|3,0,0]=4 143 B8R0.9 O=C(O)CC[C@H](O)CO CNP0251950.1 [0,1,0,0,0,0|3,0,0]=4 144 B8R0.23 C=C(C)CC(=C)C(=O)C CNP0514203.0 [0,1,0,0,0,0|1,0,2]=4 145 B8R0.23 C=C(CC(=O)O)C(C)C CNP0058320.0 [0,1,0,0,0,0|2,0,1]=4 146 B8R0.23 CC(=CC(=O)Cl)C(C)C CNP0257848.0 [0,1,0,0,0,0|2,0,1]=4 147 B8R0.23 CC(=CC(=O)O)C(C)C CNP0219059.0 [0,1,0,0,0,0|2,0,1]=4 148 B8R0.23 CC(=CC(C)C)C(=O)O CNP0002603.0 [0,1,0,0,0,0|2,0,1]=4 149 B8R0.23 CC(=O)C(=O)CC(C)C CNP0131749.0 [0,1,0,0,0,0|1,0,0]=2 150 B8R0.23 CC(=O)C(O)CC(C)C CNP0003259.0 [0,1,0,0,0,0|1,0,0]=2 151 B8R0.23 CC(=O)C=C(C)C(C)C CNP0033202.0 [0,1,0,0,0,0|1,0,1]=3 152 B8R0.23 CC(=O)CC(=O)C(C)C CNP0109827.0 [0,1,0,0,0,0|1,0,1]=3 153 B8R0.23 CC(=O)CC(=O)N(C)C CNP0333027.0 [0,1,0,0,0,0|2,0,1]=4 154 B8R0.23 CC(=O)CC(S)C(C)C CNP0610501.0 [0,1,0,0,0,0|1,0,0]=2 155 B8R0.23 CC(=O)C[C@@H](O)C(=O)C CNP0180429.1 [0,1,0,0,0,0|2,0,1]=4 156 B8R0.23 CC(=O)OC(C)C(=O)Cl CNP0312300.0 [0,1,0,0,0,0|2,0,1]=4 157 B8R0.23 CC(=O)O[C@H](C)C(=O)C CNP0270762.1 [0,1,0,0,0,0|1,0,1]=3 158 B8R0.23 CC(=O)O[C@H](C)C(=O)O CNP0159286.1 [0,1,0,0,0,0|2,0,1]=4 159 B8R0.23 CC(C)CC(=O)C(=O)O CNP0271985.0 [0,1,0,0,0,0|2,0,0]=3 160 B8R0.23 CC(C)CC(=O)C(C)O CNP0003258.0 [0,1,0,0,0,0|1,0,2]=4 161 B8R0.23 CC(C)C[C@@H](N)C(=O)N CNP0135603.3 [0,1,0,0,0,0|2,0,0]=3 162 B8R0.23 CC(C)C[C@@H](N)C(=O)O CNP0201141.2 [0,1,0,0,0,0|2,0,0]=3 163 B8R0.23 CC(C)C[C@@H](O)C(=O)O CNP0270190.1 [0,1,0,0,0,0|2,0,0]=3 164 B8R0.23 CC(C)C[C@H](C)C(C)C CNP0297055.1 [0,1,0,0,0,0|2,0,1]=4 165 B8R0.23 CC(C)C[C@H](N)C(=O)N CNP0135603.2 [0,1,0,0,0,0|2,0,0]=3 166 B8R0.23 CC(C)C[C@H](N)C(=O)O CNP0201141.1 [0,1,0,0,0,0|2,0,0]=3 167 B8R0.23 CC(C)C[C@H](O)C(=O)O CNP0270190.2 [0,1,0,0,0,0|2,0,0]=3 168 B8R0.23 CC(C)OC(=O)C(C)C CNP0251914.0 [0,1,0,0,0,0|1,0,2]=4 169 B8R0.23 CC(C)[C@@H](N)CC(=O)O CNP0294752.1 [0,1,0,0,0,0|2,0,0]=3 170 B8R0.23 CC(C)[C@H](O)CC(=O)O CNP0314965.1 [0,1,0,0,0,0|2,0,0]=3 171 B8R0.23 CC(O)C(N)CC(=O)O CNP0415810.0 [0,1,0,0,0,0|3,0,0]=4 172 B8R0.23 CC(O)CC(=O)C(=O)O CNP0082912.0 [0,1,0,0,0,0|3,0,0]=4 173 B8R0.23 CN(C)C[C@H](N)C(=O)O CNP0374568.1 [0,1,0,0,0,0|3,0,0]=4 174 B8R0.23 C[C@@H](O)C[C@@H](N)C(=O)O CNP0191849.1 [0,1,0,0,0,0|3,0,0]=4 175 B8R0.23 C[C@@H](O)C[C@H](N)C(=O)O CNP0191849.2 [0,1,0,0,0,0|3,0,0]=4 176 B8R0.23 C[C@H](Cl)C[C@H](N)C(=O)O CNP0194801.1 [0,1,0,0,0,0|3,0,0]=4 177 B8R0.23 C[C@H](N)C[C@@H](N)C(=O)O CNP0252327.1 [0,1,0,0,0,0|3,0,0]=4 178 B8R0.23 C[C@H](O)C[C@H](N)C(=O)O CNP0191849.3 [0,1,0,0,0,0|3,0,0]=4 179 B8R0.29 CC(=O)C=CC(C)(C)O CNP0364954.0 [0,1,0,0,0,0|1,0,1]=3 180 B8R0.29 CC(=O)CCS(=O)(=O)C CNP0178964.0 [0,1,0,0,0,0|3,0,0]=4 181 B8R0.29 CC(C)(O)C=CC(=O)O CNP0293177.0 [0,1,0,0,0,0|2,0,1]=4 182 B8R0.29 CC(C)NCC(C)(C)N CNP0083049.0 [0,1,0,0,0,0|2,0,1]=4 183 B8R0.29 C[As+](C)(C)CCC(=O)[O-] CNP0065909.0 [0,1,0,0,0,0|3,0,0]=4 184 B8R0.29 C[N+](C)(C)CCC(=O)[O-] CNP0359196.0 [0,1,0,0,0,0|3,0,0]=4 185 B8R0.29 O=C(Cl)OCC(Cl)(Cl)Cl CNP0030286.0 [0,1,0,0,0,0|3,0,0]=4 186 B8R1.3 CC1=CCC(=O)CC1 CNP0134778.0 [0,0,0,1,0,0|1,0,2]=4 187 B8R1.3 CC1CCC(=O)CC1 CNP0165916.0 [0,0,0,1,0,0|1,0,0]=2 188 B8R1.3 CC1CCC(=O)CO1 CNP0611860.0 [0,0,0,1,0,0|2,0,0]=3 189 B8R1.3 CC1CCN(CC1)C CNP0529817.0 [0,0,0,1,0,0|3,0,0]=4 190 B8R1.3 CN1CCC(=O)CC1 CNP0180189.0 [0,0,0,1,0,0|2,0,0]=3 191 B8R1.3 C[C@@H]1CC[C@H](SC1)C CNP0511426.1 [0,0,0,1,0,0|1,1,1]=4 192 B8R1.3 C[C@H]1CC[C@@H](CC1)C CNP0167737.2 [0,0,0,1,0,0|2,0,1]=4 193 B8R1.3 C[C@H]1CC[C@@H](CC1)O CNP0179489.1 [0,0,0,1,0,0|1,0,2]=4 194 B8R1.3 C[C@H]1CC[C@H](CC1)C CNP0167737.1 [0,0,0,1,0,0|2,0,1]=4 195 B8R1.3 O=C1CCC(=O)CC1 CNP0521419.0 [0,0,0,1,0,0|2,0,1]=4 196 B8R1.3 O=C1CCC(=O)OC1 CNP0357956.0 [0,0,0,1,0,0|1,0,1]=3 197 B8R1.35 CC(C)OCC1CO1 CNP0071169.0 [0,0,0,1,0,0|2,0,1]=4 198 B8R1.51 CC1(C=CC(=O)C1)C CNP0075974.0 [0,0,0,1,0,0|1,0,1]=3 199 B8R1.51 CC1(C=CC(=O)O1)C CNP0375337.0 [0,0,0,1,0,0|2,0,1]=4 200 B8R1.51 CC1(CN=C(O1)S)C CNP0527716.0 [0,0,0,1,0,0|2,0,1]=4 201 B8R1.51 CC1(CNC(=S)O1)C CNP0263248.0 [0,0,0,1,0,0|2,0,1]=4 202 B8R1.51 CC1(COC(=O)C1)C CNP0084721.0 [0,0,0,1,0,0|0,0,0]=1 203 B8R1.51 CC1=NC(CO1)(C)C CNP0063673.0 [0,0,0,1,0,0|1,0,0]=2 204 B8R1.51 CC1CCC(C1)(C)O CNP0582682.0 [0,0,0,1,0,0|1,0,2]=4 205 B8R1.51 CC1COC(O1)(C)C CNP0082638.0 [0,0,0,1,0,0|2,0,1]=4 206 B8R1.51 C[C@H]1CCC(C1)(C)C CNP0133145.1 [0,0,0,1,0,0|2,0,1]=4 207 B8R1.77 CC1(N[C@@H]1C(=O)O)C CNP0357340.1 [0,0,0,1,0,0|3,0,0]=4 208 B6R0.2 C=C(C)CC(=O)C CNP0331918.0 [0,0,0,0,1,0|0,0,2]=3 209 B6R0.2 CC(=CC(=O)Cl)C CNP0301599.0 [0,0,0,0,1,0|1,0,2]=4 210 B6R0.2 CC(=CC(=O)N)C CNP0186116.0 [0,0,0,0,1,0|1,0,2]=4 211 B6R0.2 CC(=CC(=O)O)C CNP0191929.0 [0,0,0,0,1,0|1,0,2]=4 212 B6R0.2 CC(=CC(C)C)C CNP0084966.0 [0,0,0,0,1,0|1,0,1]=3 213 B6R0.2 CC(=C[13C](=O)C)C CNP0541964.0 [0,0,0,0,1,0|0,0,2]=3 214 B6R0.2 CC(=N)CC(=O)C CNP0178786.0 [0,0,0,0,1,0|1,0,1]=3 215 B6R0.2 CC(=O)C=C(C)C CNP0258331.0 [0,0,0,0,1,0|0,0,2]=3 216 B6R0.2 CC(=O)C=C(C)O CNP0344390.0 [0,0,0,0,1,0|1,0,2]=4 217 B6R0.2 CC(=O)CC(=O)C CNP0267628.0 [0,0,0,0,1,0|1,0,1]=3 218 B6R0.2 CC(=O)CC(=O)N CNP0237689.0 [0,0,0,0,1,0|2,0,1]=4 219 B6R0.2 CC(=O)CC(=O)O CNP0286292.0 [0,0,0,0,1,0|2,0,1]=4 220 B6R0.2 CC(=O)CC(C)C CNP0178924.0 [0,0,0,0,1,0|0,0,0]=1 221 B6R0.2 CC(=O)C[C@@H](C)O CNP0209002.1 [0,0,0,0,1,0|1,0,0]=2 222 B6R0.2 CC(=O)C[C@H](C)O CNP0209002.2 [0,0,0,0,1,0|1,0,0]=2 223 B6R0.2 CC(=O)NC(=O)C CNP0582746.0 [0,0,0,0,1,0|2,0,1]=4 224 B6R0.2 CC(=O)OC(=O)C CNP0296904.0 [0,0,0,0,1,0|1,0,1]=3 225 B6R0.2 CC(=O)OC(C)C CNP0234567.0 [0,0,0,0,1,0|0,0,0]=1 226 B6R0.2 CC(=O)SC(=O)C CNP0165468.0 [0,0,0,0,1,0|1,1,1]=4 227 B6R0.2 CC(=S)OC(=S)C CNP0526914.0 [0,0,0,0,1,0|1,1,1]=4 228 B6R0.2 CC(=S)OC(C)C CNP0539735.0 [0,0,0,0,1,0|0,1,0]=2 229 B6R0.2 CC(C)CC(=O)N CNP0512695.0 [0,0,0,0,1,0|1,0,0]=2 230 B6R0.2 CC(C)CC(C)C CNP0241759.0 [0,0,0,0,1,0|1,0,1]=3 231 B6R0.2 CC(C)CC(C)O CNP0493734.0 [0,0,0,0,1,0|0,0,2]=3 232 B6R0.2 CC(C)C[C@@H](C)N CNP0556567.1 [0,0,0,0,1,0|1,0,1]=3 233 B6R0.2 CC(C)C[S@@+](C)[O-] CNP0553779.1 [0,0,0,0,1,0|1,0,1]=3 234 B6R0.2 CC(C)C[S@@H+](C)[O-] CNP0593384.1 [0,0,0,0,1,0|1,0,1]=3 235 B6R0.2 CC(C)NC(=O)N CNP0331187.0 [0,0,0,0,1,0|2,0,0]=3 236 B6R0.2 CC(C)NC(=S)N CNP0284249.0 [0,0,0,0,1,0|2,1,0]=4 237 B6R0.2 CC(C)NC(C)C CNP0209283.0 [0,0,0,0,1,0|2,0,1]=4 238 B6R0.2 CC(C)SC(=N)N CNP0584188.0 [0,0,0,0,1,0|2,1,0]=4 239 B6R0.2 CC(C)SC(C)C CNP0213199.0 [0,0,0,0,1,0|1,1,1]=4 240 B6R0.2 CC(O)CC(=O)N CNP0217857.0 [0,0,0,0,1,0|2,0,0]=3 241 B6R0.2 CN(C)CC(=O)Cl CNP0017846.0 [0,0,0,0,1,0|2,0,0]=3 242 B6R0.2 CN(C)CC(=O)N CNP0045146.0 [0,0,0,0,1,0|2,0,0]=3 243 B6R0.2 CN(C)CC(=O)O CNP0175140.0 [0,0,0,0,1,0|2,0,0]=3 244 B6R0.2 CN(C)C[S+](C)[O-] CNP0538671.0 [0,0,0,0,1,0|2,0,1]=4 245 B6R0.2 C[C@@H](N)CC(=O)O CNP0287180.2 [0,0,0,0,1,0|2,0,0]=3 246 B6R0.2 C[C@@H](O)CC(=O)O CNP0161860.1 [0,0,0,0,1,0|2,0,0]=3 247 B6R0.2 C[C@@H](O)C[C@@H](C)O CNP0138640.1 [0,0,0,0,1,0|1,0,2]=4 248 B6R0.2 C[C@H](N)CC(=O)O CNP0287180.1 [0,0,0,0,1,0|2,0,0]=3 249 B6R0.2 C[C@H](O)CC(=O)O CNP0161860.2 [0,0,0,0,1,0|2,0,0]=3 250 B6R0.2 C[C@H]([13CH3])CC(=O)O CNP0175489.1 [0,0,0,0,1,0|1,0,0]=2 251 B6R0.2 C[C](C)CC(=O)O CNP0606523.0 [0,0,0,0,1,0|1,0,1]=3 252 B6R0.2 C[S+](C)CC(=O)O CNP0149325.0 [0,0,0,0,1,0|2,0,0]=3 253 B6R0.2 C[S+](C)CC(=O)[O-] CNP0153505.0 [0,0,0,0,1,0|2,0,0]=3 254 B8R0.28 C=C(C)CCC=C(C)C CNP0075848.0 [0,0,0,0,0,1|2,0,1]=4 255 B8R0.28 C=C(C)CCCC(=O)C CNP0188769.0 [0,0,0,0,0,1|1,0,2]=4 256 B8R0.28 C=C(C)CCC[C@H](C)O CNP0136592.1 [0,0,0,0,0,1|3,0,0]=4 257 B8R0.28 C=C(C)CCOC(=O)C CNP0331473.0 [0,0,0,0,0,1|0,0,2]=3 258 B8R0.28 CC(=CC=CC(C)C)C CNP0313251.0 [0,0,0,0,0,1|2,0,1]=4 259 B8R0.28 CC(=CCC=C(C)C)C CNP0564316.0 [0,0,0,0,0,1|2,0,1]=4 260 B8R0.28 CC(=CCC[C@@H](C)O)C CNP0250398.2 [0,0,0,0,0,1|3,0,0]=4 261 B8R0.28 CC(=CCC[C@H](C)O)C CNP0250398.1 [0,0,0,0,0,1|3,0,0]=4 262 B8R0.28 CC(=CCNC(=O)N)C CNP0278805.0 [0,0,0,0,0,1|2,0,1]=4 263 B8R0.28 CC(=O)C#CC=C(C)C CNP0173705.0 [0,0,0,0,0,1|1,0,2]=4 264 B8R0.28 CC(=O)C=CC=C(C)C CNP0275973.0 [0,0,0,0,0,1|1,0,2]=4 265 B8R0.28 CC(=O)C=CCC(C)C CNP0400137.0 [0,0,0,0,0,1|1,0,0]=2 266 B8R0.28 CC(=O)CCC=C(C)C CNP0330890.0 [0,0,0,0,0,1|1,0,1]=3 267 B8R0.28 CC(=O)CCCC(=O)C CNP0084433.0 [0,0,0,0,0,1|2,0,1]=4 268 B8R0.28 CC(=O)CCCC(C)C CNP0354382.0 [0,0,0,0,0,1|1,0,0]=2 269 B8R0.28 CC(=O)CCOC(=O)C CNP0480131.0 [0,0,0,0,0,1|1,0,1]=3 270 B8R0.28 CC(=O)NCCC(C)C CNP0189958.0 [0,0,0,0,0,1|1,0,0]=2 271 B8R0.28 CC(=O)OCC=C(C)C CNP0164397.0 [0,0,0,0,0,1|0,0,1]=2 272 B8R0.28 CC(=O)OCCC(C)C CNP0303079.0 [0,0,0,0,0,1|0,0,0]=1 273 B8R0.28 CC(=O)OCCC(C)S CNP0003245.0 [0,0,0,0,0,1|1,0,0]=2 274 B8R0.28 CC(=O)OCN=[N+](C)[O-] CNP0040198.0 [0,0,0,0,0,1|2,0,0]=3 275 B8R0.28 CC(=O)SCC=C(C)C CNP0138994.0 [0,0,0,0,0,1|0,1,1]=3 276 B8R0.28 CC(=S)OCCC(C)C CNP0547891.0 [0,0,0,0,0,1|0,1,0]=2 277 B8R0.28 CC(C)C=CCC(=O)O CNP0441019.0 [0,0,0,0,0,1|2,0,1]=4 278 B8R0.28 CC(C)CCCC(=O)N CNP0540876.0 [0,0,0,0,0,1|2,0,0]=3 279 B8R0.28 CC(C)CCCC(=O)O CNP0255582.0 [0,0,0,0,0,1|2,0,0]=3 280 B8R0.28 CC(C)CCCC(=O)S CNP0536483.0 [0,0,0,0,0,1|2,0,0]=3 281 B8R0.28 CC(C)CCCC(C)C CNP0166483.0 [0,0,0,0,0,1|2,0,1]=4 282 B8R0.28 CC(C)CCC[C@@H](C)N CNP0402006.1 [0,0,0,0,0,1|2,0,1]=4 283 B8R0.28 CC(C)CCC[C@H](C)N CNP0402006.2 [0,0,0,0,0,1|2,0,1]=4 284 B8R0.28 CC(C)CCC[C@H](C)O CNP0182781.1 [0,0,0,0,0,1|1,0,2]=4 285 B8R0.28 CC(C)CCN[S+](C)[O-] CNP0585903.0 [0,0,0,0,0,1|2,0,1]=4 286 B8R0.28 CC(C)CNCC(C)C CNP0347227.0 [0,0,0,0,0,1|2,0,1]=4 287 B8R0.28 CC(C)COCC(C)C CNP0126629.0 [0,0,0,0,0,1|1,0,1]=3 288 B8R0.28 CC(O)CC=CC(=O)O CNP0482180.0 [0,0,0,0,0,1|3,0,0]=4 289 B8R0.28 CC(O)COCC(C)O CNP0610078.0 [0,0,0,0,0,1|1,0,2]=4 290 B8R0.28 CN(C)CCCC(=O)O CNP0321126.0 [0,0,0,0,0,1|3,0,0]=4 291 B8R0.28 C[C@@H](O)CCCC(=O)O CNP0082052.1 [0,0,0,0,0,1|3,0,0]=4 292 B5R0.1 C=C(C)CCC CNP0179329.0 [2,0,0,0,0,0|1,0,0]=3 293 B5R0.1 C=C(C)CCO CNP0285127.0 [2,0,0,0,0,0|2,0,0]=4 294 B5R0.1 C=C(O)CCC CNP0003382.0 [2,0,0,0,0,0|0,0,2]=4 295 B5R0.1 C=CCC(=O)C CNP0385825.0 [2,0,0,0,0,0|0,0,2]=4 296 B5R0.1 C=CCC(C)C CNP0293683.0 [2,0,0,0,0,0|0,0,1]=3 297 B5R0.1 C=CCC(C)O CNP0594112.0 [2,0,0,0,0,0|1,0,1]=4 298 B5R0.1 C=COC(=O)C CNP0003526.0 [2,0,0,0,0,0|0,0,2]=4 299 B5R0.1 C=COC(C)C CNP0491165.0 [2,0,0,0,0,0|0,0,1]=3 300 B5R0.1 CC(=CC=O)C CNP0325416.0 [2,0,0,0,0,0|0,0,2]=4 301 B5R0.1 CC(=O)CCO CNP0251527.0 [2,0,0,0,0,0|1,0,0]=3 302 B5R0.1 CC(=O)CCS CNP0404753.0 [2,0,0,0,0,0|1,0,0]=3 303 B5R0.1 CC(=O)OCS CNP0547679.0 [2,0,0,0,0,0|1,0,0]=3 304 B5R0.1 CC(C)C=CO CNP0546358.0 [2,0,0,0,0,0|0,0,2]=4 305 B5R0.1 CC(C)CC#N CNP0003467.0 [2,0,0,0,0,0|1,0,1]=4 306 B5R0.1 CC(C)CC=O CNP0200023.0 [2,0,0,0,0,0|0,0,0]=2 307 B5R0.1 CC(C)CCN CNP0107663.0 [2,0,0,0,0,0|1,0,1]=4 308 B5R0.1 CC(C)CCO CNP0115711.0 [2,0,0,0,0,0|0,0,2]=4 309 B5R0.1 CC(C)CCS CNP0222694.0 [2,0,0,0,0,0|0,1,1]=4 310 B5R0.1 CC(C)CNO CNP0343206.0 [2,0,0,0,0,0|1,0,1]=4 311 B5R0.1 CC(C)N=C=O CNP0495487.0 [2,0,0,0,0,0|1,0,1]=4 312 B5R0.1 CC(C)OC=O CNP0079775.0 [2,0,0,0,0,0|0,0,0]=2 313 B5R0.1 CC(C)ON=N CNP0504626.0 [2,0,0,0,0,0|2,0,0]=4 314 B5R0.1 CC=CC(=O)C CNP0158055.0 [2,0,0,0,0,0|0,0,2]=4 315 B5R0.1 CC=CC(C)C CNP0513218.0 [2,0,0,0,0,0|0,0,1]=3 316 B5R0.1 CC=CC(C)O CNP0150168.0 [2,0,0,0,0,0|1,0,1]=4 317 B5R0.1 CCC=C(C)C CNP0331653.0 [2,0,0,0,0,0|1,0,1]=4 318 B5R0.1 CCC=C(C)O CNP0225775.0 [2,0,0,0,0,0|0,0,2]=4 319 B5R0.1 CCCC(=O)C CNP0169448.0 [2,0,0,0,0,0|0,0,0]=2 320 B5R0.1 CCCC(=O)N CNP0115101.0 [2,0,0,0,0,0|1,0,0]=3 321 B5R0.1 CCCC(=O)O CNP0259447.0 [2,0,0,0,0,0|1,0,0]=3 322 B5R0.1 CCCC(=O)[O-] CNP0521413.0 [2,0,0,0,0,0|1,0,0]=3 323 B5R0.1 CCCC(C)C CNP0319065.0 [2,0,0,0,0,0|0,0,1]=3 324 B5R0.1 CCCC(C)S CNP0029638.0 [2,0,0,0,0,0|0,1,1]=4 325 B5R0.1 CCC[C@@H](C)O CNP0287976.1 [2,0,0,0,0,0|0,0,2]=4 326 B5R0.1 CCC[C@H](C)O CNP0287976.2 [2,0,0,0,0,0|0,0,2]=4 327 B5R0.1 CCNC(=O)C CNP0260078.0 [2,0,0,0,0,0|1,0,0]=3 328 B5R0.1 CCOC(=O)C CNP0322418.0 [2,0,0,0,0,0|0,0,0]=2 329 B5R0.1 CCOC(=O)N CNP0336700.0 [2,0,0,0,0,0|1,0,0]=3 330 B5R0.1 CCOC(=O)O CNP0166515.0 [2,0,0,0,0,0|1,0,0]=3 331 B5R0.1 CCOC(C)C CNP0604172.0 [2,0,0,0,0,0|0,0,1]=3 332 B5R0.1 CCO[13C](=O)C CNP0577601.0 [2,0,0,0,0,0|0,0,0]=2 333 B5R0.1 CCSC(=O)C CNP0274861.0 [2,0,0,0,0,0|0,1,0]=3 334 B5R0.1 CCSC(C)C CNP0254931.0 [2,0,0,0,0,0|0,1,1]=4 335 B5R0.1 CN=CC(C)C CNP0149349.0 [2,0,0,0,0,0|1,0,1]=4 336 B5R0.1 CNCC(=O)O CNP0307073.0 [2,0,0,0,0,0|2,0,0]=4 337 B5R0.1 CNCC(=O)O CNP0563704.0 [2,0,0,0,0,0|2,0,0]=4 338 B5R0.1 CNCC(=O)[O-] CNP0565920.0 [2,0,0,0,0,0|2,0,0]=4 339 B5R0.1 CNCC(C)C CNP0273998.0 [2,0,0,0,0,0|1,0,0]=3 340 B5R0.1 COCC(=O)C CNP0581024.0 [2,0,0,0,0,0|1,0,0]=3 341 B5R0.1 COCC(=O)O CNP0343219.0 [2,0,0,0,0,0|2,0,0]=4 342 B5R0.1 COCC(C)C CNP0528468.0 [2,0,0,0,0,0|0,0,0]=2 343 B5R0.1 CSCC(=O)C CNP0002513.0 [2,0,0,0,0,0|1,0,0]=3 344 B5R0.1 CSCC(=O)O CNP0447839.0 [2,0,0,0,0,0|2,0,0]=4 345 B5R0.1 CSCC(C)C CNP0405087.0 [2,0,0,0,0,0|0,1,0]=3 346 B5R0.1 CSSC(C)C CNP0267830.0 [2,0,0,0,0,0|1,1,0]=4 347 B5R0.1 C[C@@H](O)CC=O CNP0197470.1 [2,0,0,0,0,0|1,0,0]=3 348 B5R0.1 C[Se]CC(=O)O CNP0526449.0 [2,0,0,0,0,0|2,0,0]=4 349 B5R0.1 C[Te]CC(=O)O CNP0537189.0 [2,0,0,0,0,0|2,0,0]=4 350 B5R0.1 NCCC(=O)O CNP0226336.0 [2,0,0,0,0,0|2,0,0]=4 351 B5R0.1 O=C(O)CCO CNP0228379.0 [2,0,0,0,0,0|2,0,0]=4 352 B5R0.1 O=C(O)CCS CNP0097385.0 [2,0,0,0,0,0|2,0,0]=4 353 B5R0.2 C=CCCCC CNP0264947.0 [2,0,0,0,0,0|1,0,1]=4 354 B5R0.2 C=CCOC=O CNP0541341.0 [2,0,0,0,0,0|0,0,2]=4 355 B5R0.2 CC=CCCC CNP0419577.0 [2,0,0,0,0,0|1,0,0]=3 356 B5R0.2 CC=CCCO CNP0253382.0 [2,0,0,0,0,0|2,0,0]=4 357 B5R0.2 CCC=CC=O CNP0328747.0 [2,0,0,0,0,0|1,0,1]=4 358 B5R0.2 CCCC=CO CNP0247153.0 [2,0,0,0,0,0|1,0,1]=4 359 B5R0.2 CCCCC=O CNP0361186.0 [2,0,0,0,0,0|1,0,0]=3 360 B5R0.2 CCCCCC CNP0269021.0 [2,0,0,0,0,0|1,0,1]=4 361 B5R0.2 CCCCNC CNP0277639.0 [2,0,0,0,0,0|2,0,0]=4 362 B5R0.2 CCCCOC CNP0609033.0 [2,0,0,0,0,0|2,0,0]=4 363 B5R0.2 CCCCSC CNP0562965.0 [2,0,0,0,0,0|2,0,0]=4 364 B5R0.2 CCCC[S+]=O CNP0521772.0 [2,0,0,0,0,0|2,0,0]=4 365 B5R0.2 CCCOC=O CNP0326097.0 [2,0,0,0,0,0|0,0,0]=2 366 B5R0.2 CCCSCC CNP0316215.0 [2,0,0,0,0,0|0,1,1]=4 367 B5R0.2 CCCSSC CNP0296815.0 [2,0,0,0,0,0|1,1,0]=4 368 B5R0.2 CCOCCO CNP0319988.0 [2,0,0,0,0,0|1,0,1]=4 369 B5R0.2 CSCCC=O CNP0136743.0 [2,0,0,0,0,0|2,0,0]=4 370 B5R0.2 NCCCC=O CNP0359033.0 [2,0,0,0,0,0|2,0,0]=4 371 B7R0.2 C=CC(C)CC(C)C CNP0104195.0 [1,1,0,0,0,0|1,0,1]=4 372 B7R0.2 CC(=CC(C)C)C=O CNP0076574.0 [1,1,0,0,0,0|1,0,1]=4 373 B7R0.2 CC(=O)OC(C)C#N CNP0194658.0 [1,1,0,0,0,0|1,0,1]=4 374 B7R0.2 CC(=O)OC(C)C=O CNP0528164.0 [1,1,0,0,0,0|1,0,1]=4 375 B7R0.2 CC(C)CC(N)C=O CNP0502927.0 [1,1,0,0,0,0|1,0,0]=3 376 B7R0.2 CC(C)CC(N)C=O CNP0510216.0 [1,1,0,0,0,0|1,0,0]=3 377 B7R0.2 CC(C)CC(N)C=O CNP0549122.0 [1,1,0,0,0,0|1,0,0]=3 378 B7R0.2 CC(C)CC(N)C=O CNP0579101.0 [1,1,0,0,0,0|1,0,0]=3 379 B7R0.2 CC(C)CC(N)C=O CNP0579301.0 [1,1,0,0,0,0|1,0,0]=3 380 B7R0.2 CC(C)CC(N)C=O CNP0595026.0 [1,1,0,0,0,0|1,0,0]=3 381 B7R0.2 CC(C)C[C@H](C)C=O CNP0563358.1 [1,1,0,0,0,0|1,0,0]=3 382 B7R0.2 CCC(=CC(=O)C)C CNP0380051.0 [1,1,0,0,0,0|1,0,1]=4 383 B7R0.2 CCC(=O)CC(C)C CNP0284484.0 [1,1,0,0,0,0|1,0,1]=4 384 B7R0.2 CCC(=O)NC(=O)C CNP0168988.0 [1,1,0,0,0,0|1,0,1]=4 385 B7R0.2 CCC(C)CC(=O)C CNP0555982.0 [1,1,0,0,0,0|1,0,0]=3 386 B7R0.2 CC[C@@H](C)CC(=O)O CNP0258429.2 [1,1,0,0,0,0|2,0,0]=4 387 B7R0.2 CC[C@@H](C)OC(=O)C CNP0076550.2 [1,1,0,0,0,0|0,0,0]=2 388 B7R0.2 CC[C@H](C)CC(=O)Cl CNP0111918.1 [1,1,0,0,0,0|2,0,0]=4 389 B7R0.2 CC[C@H](C)CC(=O)N CNP0105662.1 [1,1,0,0,0,0|2,0,0]=4 390 B7R0.2 CC[C@H](C)CC(=O)O CNP0258429.1 [1,1,0,0,0,0|2,0,0]=4 391 B7R0.2 CC[C@H](C)CC(C)C CNP0229015.1 [1,1,0,0,0,0|1,0,1]=4 392 B7R0.2 CC[C@H](C)OC(=O)C CNP0076550.1 [1,1,0,0,0,0|0,0,0]=2 393 B7R0.2 CC[C@H](O)CC(=O)N CNP0018371.1 [1,1,0,0,0,0|2,0,0]=4 394 B7R0.2 CC[C@H](O)CC(=O)O CNP0308552.1 [1,1,0,0,0,0|2,0,0]=4 395 B7R0.2 COC(=O)CC(C)C CNP0289344.0 [1,1,0,0,0,0|2,0,0]=4 396 B7R0.2 CSC(=O)CC(C)C CNP0084338.0 [1,1,0,0,0,0|2,0,0]=4 397 B7R0.2 C[C@@H](O)C[C@H](N)C=O CNP0116023.1 [1,1,0,0,0,0|2,0,0]=4 398 B7R0.2 C[C@H](O)C[C@H](N)C=O CNP0116023.2 [1,1,0,0,0,0|2,0,0]=4 399 B7R0.3 C=C(C=O)CCCC CNP0555185.0 [1,1,0,0,0,0|1,0,1]=4 400 B7R0.3 C=C(CC)CCCC CNP0084703.0 [1,1,0,0,0,0|2,0,0]=4 401 B7R0.3 C=CC(=CCCC)C CNP0605951.0 [1,1,0,0,0,0|2,0,0]=4 402 B7R0.3 C=CC(=O)CCCC CNP0083902.0 [1,1,0,0,0,0|1,0,1]=4 403 B7R0.3 C=CC(=O)OCCO CNP0080032.0 [1,1,0,0,0,0|1,0,1]=4 404 B7R0.3 CCC(=O)CCSC CNP0003468.0 [1,1,0,0,0,0|2,0,0]=4 405 B7R0.3 CCC(=O)OCCO CNP0095595.0 [1,1,0,0,0,0|1,0,0]=3 406 B7R0.3 CCC=CC(=O)CC CNP0166330.0 [1,1,0,0,0,0|1,0,1]=4 407 B7R0.3 CCCC=C(C)CC CNP0263169.0 [1,1,0,0,0,0|2,0,0]=4 408 B7R0.3 CCCCC(=O)CC CNP0286726.0 [1,1,0,0,0,0|1,0,0]=3 409 B7R0.3 CCCCC(=O)OC CNP0184855.0 [1,1,0,0,0,0|1,0,0]=3 410 B7R0.3 CCCCC(C)CO CNP0563062.0 [1,1,0,0,0,0|1,0,1]=4 411 B7R0.3 CCCC[C@@H](C)C=O CNP0315338.1 [1,1,0,0,0,0|1,0,1]=4 412 B7R0.3 CCCC[C@@H](C)CC CNP0161853.2 [1,1,0,0,0,0|1,0,1]=4 413 B7R0.3 CCCC[C@H](C)CC CNP0161853.1 [1,1,0,0,0,0|1,0,1]=4 414 B7R0.3 CCCC[C@H](C)CO CNP0563062.1 [1,1,0,0,0,0|1,0,1]=4 415 B7R0.3 CCCOC(=O)CC CNP0296678.0 [1,1,0,0,0,0|0,0,0]=2 416 B7R0.3 CCOCC(=O)OC CNP0306071.0 [1,1,0,0,0,0|2,0,0]=4 417 B7R0.3 COC(=O)CCSC CNP0302353.0 [1,1,0,0,0,0|2,0,0]=4 418 B7R0.4 C=CCCCC(C)C CNP0359236.0 [1,1,0,0,0,0|1,0,1]=4 419 B7R0.4 CC(=CCOC=O)C CNP0041956.0 [1,1,0,0,0,0|0,0,1]=3 420 B7R0.4 CC(=O)CCCC=O CNP0331218.0 [1,1,0,0,0,0|1,0,1]=4 421 B7R0.4 CC(=O)NCCC=O CNP0100556.0 [1,1,0,0,0,0|1,0,1]=4 422 B7R0.4 CC(=O)OCCCS CNP0325111.0 [1,1,0,0,0,0|0,0,0]=2 423 B7R0.4 CC(C)CCCCO CNP0497904.0 [1,1,0,0,0,0|1,0,1]=4 424 B7R0.4 CC(C)CCNC=O CNP0473179.0 [1,1,0,0,0,0|1,0,0]=3 425 B7R0.4 CC(C)CCOC=O CNP0324042.0 [1,1,0,0,0,0|0,0,0]=2 426 B7R0.4 CC(C)CCON=O CNP0341686.0 [1,1,0,0,0,0|1,0,0]=3 427 B7R0.4 CC/C=C/C[C@H](C)O CNP0273661.3 [1,1,0,0,0,0|2,0,0]=4 428 B7R0.4 CC/C=C\C[C@@H](C)O CNP0273661.2 [1,1,0,0,0,0|2,0,0]=4 429 B7R0.4 CC/C=C\C[C@H](C)O CNP0273661.1 [1,1,0,0,0,0|2,0,0]=4 430 B7R0.4 CC=CSSC(C)C CNP0589450.0 [1,1,0,0,0,0|1,1,0]=4 431 B7R0.4 CCC=CCC(=O)C CNP0207647.0 [1,1,0,0,0,0|1,0,1]=4 432 B7R0.4 CCCC=CC(=O)C CNP0280826.0 [1,1,0,0,0,0|1,0,0]=3 433 B7R0.4 CCCC=CC(=O)O CNP0215085.0 [1,1,0,0,0,0|2,0,0]=4 434 B7R0.4 CCCCCC(=O)C CNP0240774.0 [1,1,0,0,0,0|1,0,0]=3 435 B7R0.4 CCCCCC(=O)N CNP0077222.0 [1,1,0,0,0,0|2,0,0]=4 436 B7R0.4 CCCCCC(=O)O CNP0210437.0 [1,1,0,0,0,0|2,0,0]=4 437 B7R0.4 CCCCCC(C)C CNP0146536.0 [1,1,0,0,0,0|1,0,1]=4 438 B7R0.4 CCCCC[14C](=O)O CNP0563421.0 [1,1,0,0,0,0|2,0,0]=4 439 B7R0.4 CCCCOC(=O)C CNP0158571.0 [1,1,0,0,0,0|0,0,0]=2 440 B7R0.4 CCCNCC(C)C CNP0333564.0 [1,1,0,0,0,0|1,0,1]=4 441 B7R0.4 CCCSCC(C)C CNP0116113.0 [1,1,0,0,0,0|0,1,1]=4 442 B7R0.4 CCCSOC(=O)C CNP0411356.0 [1,1,0,0,0,0|0,0,0]=2 443 B7R0.4 CCNCCC(C)C CNP0184897.0 [1,1,0,0,0,0|1,0,1]=4 444 B7R0.4 CCNCNC(=O)N CNP0182596.0 [1,1,0,0,0,0|2,0,0]=4 445 B7R0.4 CCOCC=C(C)C CNP0002719.0 [1,1,0,0,0,0|0,0,2]=4 446 B7R0.4 CCOCCC(=O)C CNP0086134.0 [1,1,0,0,0,0|1,0,0]=3 447 B7R0.4 CCOCCC(=O)O CNP0566237.0 [1,1,0,0,0,0|2,0,0]=4 448 B7R0.4 CCOCCC(C)C CNP0032749.0 [1,1,0,0,0,0|0,0,1]=3 449 B7R0.4 CNCCCC(=O)O CNP0216187.0 [1,1,0,0,0,0|2,0,0]=4 450 B7R0.4 COCCCC(=O)C CNP0580201.0 [1,1,0,0,0,0|1,0,0]=3 451 B7R0.4 COCCOC(=O)C CNP0278807.0 [1,1,0,0,0,0|0,0,0]=2 452 B7R0.4 NC(=O)COCCO CNP0488363.0 [1,1,0,0,0,0|2,0,0]=4 453 B7R0.4 NCCCCC(=O)N CNP0001733.0 [1,1,0,0,0,0|2,0,0]=4 454 B7R0.4 NCCCCC(=O)O CNP0167970.0 [1,1,0,0,0,0|2,0,0]=4 455 B7R0.4 O=C(O)CCCCO CNP0601188.0 [1,1,0,0,0,0|2,0,0]=4 456 B7R0.4 O=P(=O)OCCCO CNP0547512.0 [1,1,0,0,0,0|2,0,0]=4 457 B7R0.4 O=[N+]([O-])OCCCBr CNP0600488.0 [1,1,0,0,0,0|2,0,0]=4 458 B7R0.4 [CH2]CCCCC(C)C CNP0488090.0 [1,1,0,0,0,0|1,0,1]=4 459 B7R0.5 C=C(C)C(C)CCC CNP0602061.0 [1,1,0,0,0,0|2,0,0]=4 460 B7R0.5 C=CCC(C)C(C)C CNP0601967.0 [1,1,0,0,0,0|1,0,1]=4 461 B7R0.5 CC(=O)C(=O)CCO CNP0018467.0 [1,1,0,0,0,0|2,0,0]=4 462 B7R0.5 CCCC(=O)C(=O)C CNP0318298.0 [1,1,0,0,0,0|1,0,0]=3 463 B7R0.5 CCCC(=O)C(=O)N CNP0302137.0 [1,1,0,0,0,0|2,0,0]=4 464 B7R0.5 CCCC(=O)C(=O)O CNP0186110.0 [1,1,0,0,0,0|2,0,0]=4 465 B7R0.5 CCCC(C)C(=O)C CNP0145602.0 [1,1,0,0,0,0|1,0,0]=3 466 B7R0.5 CCC[C@@H](C)C(=O)Cl CNP0181182.1 [1,1,0,0,0,0|2,0,0]=4 467 B7R0.5 CCC[C@@H](C)C(=O)N CNP0263004.1 [1,1,0,0,0,0|2,0,0]=4 468 B7R0.5 CCC[C@@H](C)C(=O)O CNP0218134.2 [1,1,0,0,0,0|2,0,0]=4 469 B7R0.5 CCC[C@@H](N)C(=O)O CNP0198245.2 [1,1,0,0,0,0|2,0,0]=4 470 B7R0.5 CCC[C@@H](O)C(=O)C CNP0171062.1 [1,1,0,0,0,0|1,0,0]=3 471 B7R0.5 CCC[C@H](C)C(=O)Cl CNP0181182.2 [1,1,0,0,0,0|2,0,0]=4 472 B7R0.5 CCC[C@H](C)C(=O)N CNP0263004.2 [1,1,0,0,0,0|2,0,0]=4 473 B7R0.5 CCC[C@H](C)C(=O)O CNP0218134.1 [1,1,0,0,0,0|2,0,0]=4 474 B7R0.5 CCC[C@H](C)C(C)C CNP0153562.1 [1,1,0,0,0,0|1,0,1]=4 475 B7R0.5 CCC[C@H](N)C(=O)N CNP0559533.1 [1,1,0,0,0,0|2,0,0]=4 476 B7R0.5 CCC[C@H](N)C(=O)O CNP0198245.1 [1,1,0,0,0,0|2,0,0]=4 477 B7R0.5 CCC[C@H](O)C(=O)O CNP0107771.1 [1,1,0,0,0,0|2,0,0]=4 478 B7R0.5 CCOC(=O)C(=O)C CNP0125982.0 [1,1,0,0,0,0|2,0,0]=4 479 B7R0.5 CCOC(=O)C(C)C CNP0230163.0 [1,1,0,0,0,0|0,0,2]=4 480 B7R0.5 CCOC(C)C(=O)C CNP0496996.0 [1,1,0,0,0,0|2,0,0]=4 481 B7R0.5 CCSC(C)C(C)C CNP0213489.0 [1,1,0,0,0,0|0,1,1]=4 482 B7R0.8 CC(C)(C)C#CC=O CNP0610546.0 [1,1,0,0,0,0|1,0,1]=4 483 B7R0.8 CC(C)(C)C=CC=O CNP0514771.0 [1,1,0,0,0,0|1,0,1]=4 484 B7R0.8 CCCCC(C)(C)C CNP0139885.0 [1,1,0,0,0,0|1,0,1]=4 485 B7R0.8 CCCOS(=O)(=S)O CNP0528794.0 [1,1,0,0,0,0|2,0,0]=4 486 B7R0.8 CCCO[As](=O)(C)C CNP0175825.0 [1,1,0,0,0,0|1,0,0]=3 487 B7R0.8 COCCC(C)(C)S CNP0210797.0 [1,1,0,0,0,0|2,0,0]=4 488 B7R0.9 C=C(C)CC(C)(C)C CNP0205743.0 [0,1,0,0,1,0|1,0,0]=3 489 B7R0.9 CC(=O)CC(C)(C)N CNP0308677.0 [0,1,0,0,1,0|0,0,0]=2 490 B7R0.9 CC(=O)CC(C)(C)O CNP0333881.0 [0,1,0,0,1,0|0,0,0]=2 491 B7R0.9 CC(=O)CC(C)(C)S CNP0003365.0 [0,1,0,0,1,0|0,0,0]=2 492 B7R0.9 CC(=O)C[N+](C)(C)C CNP0490253.0 [0,1,0,0,1,0|1,0,0]=3 493 B7R0.9 CC(C)(C)NC(=O)N CNP0541950.0 [0,1,0,0,1,0|2,0,0]=4 494 B7R0.9 CC(C)(O)CC(=O)O CNP0284455.0 [0,1,0,0,1,0|1,0,0]=3 495 B7R0.9 CC(C)CC(C)(C)C CNP0079943.0 [0,1,0,0,1,0|1,0,1]=4 496 B7R0.9 CC(C)CC(C)(C)O CNP0085669.0 [0,1,0,0,1,0|0,0,2]=4 497 B7R0.9 CC(C)OP(=O)(O)O CNP0588322.0 [0,1,0,0,1,0|2,0,0]=4 498 B7R0.9 CC(C)OS(=O)(=O)C CNP0071159.0 [0,1,0,0,1,0|1,0,0]=3 499 B7R0.9 CN(C)CC(C)(C)O CNP0312346.0 [0,1,0,0,1,0|2,0,0]=4 500 B7R0.9 C[As+](C)(C)CC(=O)O CNP0017752.0 [0,1,0,0,1,0|2,0,0]=4 501 B7R0.9 C[As+](C)(C)CC(=O)[O-] CNP0085594.0 [0,1,0,0,1,0|2,0,0]=4 502 B7R0.9 C[C@@H](O)CC(C)(C)O CNP0352838.2 [0,1,0,0,1,0|0,0,2]=4 503 B7R0.9 C[C@H](O)CC(C)(C)O CNP0352838.1 [0,1,0,0,1,0|0,0,2]=4 504 B7R0.9 C[N+](C)(C)CC(=O)N CNP0509431.0 [0,1,0,0,1,0|2,0,0]=4 505 B7R0.9 C[N+](C)(C)CC(=O)N CNP0510669.0 [0,1,0,0,1,0|2,0,0]=4 506 B7R0.9 C[N+](C)(C)CC(=O)O CNP0143060.0 [0,1,0,0,1,0|2,0,0]=4 507 B7R0.9 C[N+](C)(C)CC(=O)O CNP0558485.0 [0,1,0,0,1,0|2,0,0]=4 508 B7R0.9 C[N+](C)(C)CC(=O)[O-] CNP0508048.0 [0,1,0,0,1,0|2,0,0]=4 509 B7R0.9 C[N+](C)(C)CC(=O)[O-] CNP0513647.0 [0,1,0,0,1,0|2,0,0]=4 510 B7R0.16 C=C(C)C(=O)C(C)C CNP0611996.0 [0,1,0,0,1,0|1,0,1]=4 511 B7R0.16 CC(=O)C(=O)C(C)C CNP0264212.0 [0,1,0,0,1,0|0,0,1]=3 512 B7R0.16 CC(=O)C(C)C(=O)C CNP0423013.0 [0,1,0,0,1,0|1,0,1]=4 513 B7R0.16 CC(=O)C(S)C(C)C CNP0012295.0 [0,1,0,0,1,0|0,0,0]=2 514 B7R0.16 CC(=O)N(C)C(C)C CNP0111110.0 [0,1,0,0,1,0|1,0,0]=3 515 B7R0.16 CC(=O)[C@@H](Br)C(C)C CNP0046833.1 [0,1,0,0,1,0|0,0,0]=2 516 B7R0.16 CC(=O)[C@H](Br)C(C)C CNP0046833.2 [0,1,0,0,1,0|0,0,0]=2 517 B7R0.16 CC(C)C(=O)C(=O)N CNP0124089.0 [0,1,0,0,1,0|1,0,1]=4 518 B7R0.16 CC(C)C(=O)C(=O)O CNP0207859.0 [0,1,0,0,1,0|1,0,1]=4 519 B7R0.16 CC(C)C(N)C(C)C CNP0083055.0 [0,1,0,0,1,0|1,0,1]=4 520 B7R0.16 CC(C)C(O)C(C)C CNP0366830.0 [0,1,0,0,1,0|1,0,1]=4 521 B7R0.16 CC(C)[C@@H](N)C(=O)O CNP0152507.2 [0,1,0,0,1,0|1,0,0]=3 522 B7R0.16 CC(C)[C@@H](O)C(=O)N CNP0311908.1 [0,1,0,0,1,0|1,0,0]=3 523 B7R0.16 CC(C)[C@@H](O)C(=O)O CNP0267024.1 [0,1,0,0,1,0|1,0,0]=3 524 B7R0.16 CC(C)[C@H](N)C(=O)O CNP0152507.1 [0,1,0,0,1,0|1,0,0]=3 525 B7R0.16 CC(C)[C@H](O)C(=O)O CNP0267024.2 [0,1,0,0,1,0|1,0,0]=3 526 B7R0.16 CC(O)C(O)C(=O)N CNP0028681.0 [0,1,0,0,1,0|2,0,0]=4 527 B7R0.16 C[C@@H](Br)[C@@H](Br)C(=O)O CNP0447694.2 [0,1,0,0,1,0|2,0,0]=4 528 B7R0.16 C[C@@H](Br)[C@H](Br)C(=O)O CNP0447694.4 [0,1,0,0,1,0|2,0,0]=4 529 B7R0.16 C[C@@H](C(=O)O)N(C)C CNP0605647.1 [0,1,0,0,1,0|2,0,0]=4 530 B7R0.16 C[C@@H](N)[C@@H](N)C(=O)O CNP0271750.2 [0,1,0,0,1,0|2,0,0]=4 531 B7R0.16 C[C@@H](N)[C@H](N)C(=O)O CNP0271750.3 [0,1,0,0,1,0|2,0,0]=4 532 B7R0.16 C[C@@H](O)C(N)C(=O)O CNP0361197.2 [0,1,0,0,1,0|2,0,0]=4 533 B7R0.16 C[C@@H](O)[C@@H](C)C(=O)O CNP0176980.1 [0,1,0,0,1,0|2,0,0]=4 534 B7R0.16 C[C@@H](O)[C@@H](N)C(=O)O CNP0361197.5 [0,1,0,0,1,0|2,0,0]=4 535 B7R0.16 C[C@@H](O)[C@@H](O)C(=O)O CNP0082312.1 [0,1,0,0,1,0|2,0,0]=4 536 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O CNP0361197.1 [0,1,0,0,1,0|2,0,0]=4 537 B7R0.16 C[C@@H](O)[C@H](O)C(=O)O CNP0082312.2 [0,1,0,0,1,0|2,0,0]=4 538 B7R0.16 C[C@@H](S)[C@@H](N)C(=O)O CNP0290431.3 [0,1,0,0,1,0|2,0,0]=4 539 B7R0.16 C[C@@H](S)[C@H](N)C(=O)O CNP0290431.1 [0,1,0,0,1,0|2,0,0]=4 540 B7R0.16 C[C@H](Br)[C@@H](Br)C(=O)O CNP0447694.1 [0,1,0,0,1,0|2,0,0]=4 541 B7R0.16 C[C@H](Br)[C@H](Br)C(=O)O CNP0447694.3 [0,1,0,0,1,0|2,0,0]=4 542 B7R0.16 C[C@H](C(=O)O)[C@@H](C)O CNP0176980.3 [0,1,0,0,1,0|2,0,0]=4 543 B7R0.16 C[C@H](N)[C@@H](N)C(=O)O CNP0271750.4 [0,1,0,0,1,0|2,0,0]=4 544 B7R0.16 C[C@H](N)[C@H](N)C(=O)O CNP0271750.1 [0,1,0,0,1,0|2,0,0]=4 545 B7R0.16 C[C@H](O)[C@@H](C)C(=O)O CNP0176980.2 [0,1,0,0,1,0|2,0,0]=4 546 B7R0.16 C[C@H](O)[C@@H](N)C(=O)O CNP0361197.4 [0,1,0,0,1,0|2,0,0]=4 547 B7R0.16 C[C@H](O)[C@H](C)C(=O)O CNP0176980.4 [0,1,0,0,1,0|2,0,0]=4 548 B7R0.16 C[C@H](O)[C@H](N)C(=O)N CNP0419355.1 [0,1,0,0,1,0|2,0,0]=4 549 B7R0.16 C[C@H](O)[C@H](N)C(=O)O CNP0361197.3 [0,1,0,0,1,0|2,0,0]=4 550 B7R0.16 C[C@H](S)[C@@H](N)C(=O)O CNP0290431.2 [0,1,0,0,1,0|2,0,0]=4 551 B7R0.16 C[C@H](S)[C@H](N)C(=O)O CNP0290431.4 [0,1,0,0,1,0|2,0,0]=4 552 B7R0.16 [13CH3][13CH]([13CH3])[13C@H]([15NH2])[13C](=O)O CNP0152507.4 [0,1,0,0,1,0|1,0,0]=3 553 B9R0.1 C=C(C)CCCC(C)CO CNP0345669.0 [0,1,0,0,0,1|2,0,0]=4 554 B9R0.1 C=CC(=CCCC(C)C)C CNP0227262.0 [0,1,0,0,0,1|2,0,0]=4 555 B9R0.1 CC(=CCCC(C)C)C=O CNP0199233.0 [0,1,0,0,0,1|1,0,0]=3 556 B9R0.1 CC(=CCC[C@@H](C)CO)C CNP0191212.1 [0,1,0,0,0,1|2,0,0]=4 557 B9R0.1 CC(=O)CCC=C(C)CO CNP0278208.0 [0,1,0,0,0,1|1,0,1]=4 558 B9R0.1 CC(=O)OCC=C(C)CO CNP0248303.0 [0,1,0,0,0,1|0,0,1]=3 559 B9R0.1 CC(C)CCC[C@@H](C)C=O CNP0422099.2 [0,1,0,0,0,1|1,0,1]=4 560 B9R0.1 CC(C)CCC[C@H](C)C=O CNP0422099.1 [0,1,0,0,0,1|1,0,1]=4 561 B9R0.1 CC=C(C)C=CCC(C)C CNP0113285.0 [0,1,0,0,0,1|2,0,0]=4 562 B9R0.1 CCC(=O)C=CCC(C)C CNP0303308.0 [0,1,0,0,0,1|1,0,0]=3 563 B9R0.1 CCC(=O)OCCC(C)C CNP0244888.0 [0,1,0,0,0,1|0,0,0]=2 564 B9R0.1 CCC(C)CCCC(=O)O CNP0085923.0 [0,1,0,0,0,1|2,0,0]=4 565 B9R0.1 CCC(C)OCCC(=O)C CNP0493314.0 [0,1,0,0,0,1|1,0,0]=3 566 B9R0.1 CNC(C)CCC=C(C)C CNP0500173.0 [0,1,0,0,0,1|2,0,0]=4 567 B9R0.1 COC(=O)CCCC(C)C CNP0354056.0 [0,1,0,0,0,1|1,0,0]=3 568 B9R0.1 COC(=O)CCCN(C)C CNP0185464.0 [0,1,0,0,0,1|2,0,0]=4 569 B9R0.1 COC(=O)CONC(=O)C CNP0170381.0 [0,1,0,0,0,1|1,0,1]=4 570 B9R0.7 C=C(C)C(=O)OCC(C)C CNP0097521.0 [0,1,0,0,0,1|1,0,0]=3 571 B9R0.7 C=C(C)COC(=O)C(C)C CNP0104203.0 [0,1,0,0,0,1|1,0,1]=4 572 B9R0.7 CC(C)C(=O)CCC(=O)O CNP0329211.0 [0,1,0,0,0,1|2,0,0]=4 573 B9R0.7 CC(C)CC[C@H](N)C(=O)O CNP0116555.1 [0,1,0,0,0,1|2,0,0]=4 574 B9R0.7 CC(C)COC(=O)C(C)C CNP0146650.0 [0,1,0,0,0,1|1,0,1]=4 575 B9R0.7 CC(C)OCC(N)C(=O)O CNP0593258.0 [0,1,0,0,0,1|2,0,0]=4 576 B9R0.7 CC(C)[C@@H](O)C#CC(=O)O CNP0442900.2 [0,1,0,0,0,1|2,0,0]=4 577 B9R0.7 CC(C)[C@H](O)C#CC(=O)O CNP0442900.1 [0,1,0,0,0,1|2,0,0]=4 578 B9R0.53 CC(=O)C[C@@H](C)CC(C)C CNP0357030.1 [0,1,0,0,0,1|1,0,0]=3 579 B9R0.53 CC(=O)C[C@@H](C)OC(=O)C CNP0303654.1 [0,1,0,0,0,1|1,0,1]=4 580 B9R0.53 CC(=O)OC(C)OC(=O)C CNP0079847.0 [0,1,0,0,0,1|1,0,1]=4 581 B9R0.53 CC(=O)O[C@H](C)CC(C)C CNP0489311.1 [0,1,0,0,0,1|0,0,0]=2 582 B9R0.53 CC(C)CC(=O)OC(C)C CNP0311912.0 [0,1,0,0,0,1|1,0,1]=4 583 B9R0.53 CC(C)CC(N)CC(=O)O CNP0415809.0 [0,1,0,0,0,1|2,0,0]=4 584 B9R0.53 CC(C)CC(O)CC(=O)O CNP0002352.0 [0,1,0,0,0,1|2,0,0]=4 585 B9R0.53 CC(C)OC(C)OC(C)C CNP0324928.0 [0,1,0,0,0,1|1,0,1]=4 586 B9R0.56 CC(=O)C=CNC(C)(C)C CNP0065095.0 [0,1,0,0,0,1|1,0,1]=4 587 B9R0.56 CC(=O)CCCC(C)(C)C CNP0540441.0 [0,1,0,0,0,1|1,0,0]=3 588 B9R0.56 CC(=O)OCCC(C)(C)S CNP0128324.0 [0,1,0,0,0,1|0,0,0]=2 589 B9R0.56 CC(=O)OCC[As+](C)(C)C CNP0017843.0 [0,1,0,0,0,1|1,0,0]=3 590 B9R0.56 CC(=O)OCC[N+](C)(C)C CNP0482920.0 [0,1,0,0,0,1|1,0,0]=3 591 B9R0.56 CC(=O)OCC[N+](C)(C)C CNP0521268.0 [0,1,0,0,0,1|1,0,0]=3 592 B9R0.56 CC(=O)OCC[N+](C)(C)C CNP0569856.0 [0,1,0,0,0,1|1,0,0]=3 593 B9R0.56 CC(=O)OCC[N+](C)(C)C CNP0583054.0 [0,1,0,0,0,1|1,0,0]=3 594 B9R0.56 CC(=O)OCC[N+](C)(C)C CNP0584438.0 [0,1,0,0,0,1|1,0,0]=3 595 B9R0.56 C[N+](C)(C)CCOC(=O)N CNP0529912.0 [0,1,0,0,0,1|2,0,0]=4 596 B9R0.56 C[N+](C)(C)CCOC(=O)N CNP0532437.0 [0,1,0,0,0,1|2,0,0]=4 597 B9R0.21 CCC(=O)CCC(C)(C)O CNP0580534.0 [0,2,0,0,0,0|1,0,0]=3 598 B9R0.21 COC(=O)C=CC(C)(C)C CNP0328379.0 [0,2,0,0,0,0|1,0,1]=4 599 B9R0.23 CC(=NO)C(=O)CC(C)C CNP0240772.0 [0,2,0,0,0,0|1,0,1]=4 600 B9R0.23 CC(C)C[C@H](N)C(=O)NO CNP0527266.1 [0,2,0,0,0,0|2,0,0]=4 601 B9R0.23 CCC(=O)C(=O)CC(C)C CNP0169073.0 [0,2,0,0,0,0|1,0,0]=3 602 B9R0.23 CC[C@@H](O)[C@H](C)NC(=O)C CNP0535111.2 [0,2,0,0,0,0|2,0,0]=4 603 B9R0.23 CC[C@H](C)[C@H](N)CC(=O)O CNP0415773.1 [0,2,0,0,0,0|2,0,0]=4 604 B9R0.23 CC[C@H](O)[C@H](C)NC(=O)C CNP0535111.1 [0,2,0,0,0,0|2,0,0]=4 605 B9R0.23 COC(=O)C(=O)CC(C)C CNP0112927.0 [0,2,0,0,0,0|1,0,0]=3 606 B9R0.23 COC(=O)C(O)CC(C)C CNP0002916.0 [0,2,0,0,0,0|1,0,0]=3 607 B9R0.23 COC(=O)[C@@H](N)CC(C)C CNP0396242.2 [0,2,0,0,0,0|1,0,0]=3 608 B9R0.23 COC(=O)[C@H](N)CC(C)C CNP0396242.3 [0,2,0,0,0,0|1,0,0]=3 609 B9R0.23 CSC(=O)C(C)OC(=O)C CNP0019263.0 [0,2,0,0,0,0|1,0,1]=4 610 B9R0.24 CCC(=O)CC[C@@H](C)CC CNP0210465.2 [0,2,0,0,0,0|1,0,0]=3 611 B9R0.24 CCC(=O)CC[C@H](C)CC CNP0210465.1 [0,2,0,0,0,0|1,0,0]=3 612 B9R0.24 CCC(=O)OC[C@@H](C)CC CNP0161389.1 [0,2,0,0,0,0|0,0,0]=2 613 B9R0.24 CCC(C)CCC(=O)OC CNP0076942.0 [0,2,0,0,0,0|1,0,0]=3 614 B9R0.24 CC[C@@H](C)/C=C/C(=O)OC CNP0273478.2 [0,2,0,0,0,0|1,0,1]=4 615 B9R0.24 CC[C@@H](C)C=CC(=O)OC CNP0273478.1 [0,2,0,0,0,0|1,0,1]=4 616 B9R0.24 CNC(=O)ON=C(C)SC CNP0342524.0 [0,2,0,0,0,0|1,0,1]=4 617 B9R0.42 CCC(C)C[C@H](N)C(=O)O CNP0257538.2 [0,2,0,0,0,0|2,0,0]=4 618 B9R0.42 CC[C@@H](C)/C=C(\C)/C(=O)C CNP0235309.1 [0,2,0,0,0,0|1,0,1]=4 619 B9R0.42 CC[C@H](C)/C=C(\C)/C(=O)C CNP0235309.2 [0,2,0,0,0,0|1,0,1]=4 620 B9R0.42 CC[C@H](C)C[C@H](N)C(=O)O CNP0257538.1 [0,2,0,0,0,0|2,0,0]=4 621 B9R0.42 COC(=O)C=C(C)C(C)C CNP0417930.0 [0,2,0,0,0,0|1,0,1]=4 622 B9R0.42 C[C@H](CCl)C[C@H](N)C(=O)O CNP0213488.1 [0,2,0,0,0,0|2,0,0]=4 623 B9R0.43 CCC(C=CC(=O)C)CC CNP0612140.0 [0,2,0,0,0,0|1,0,1]=4 624 B9R0.43 CCC(CC)COC(=O)C CNP0003350.0 [0,2,0,0,0,0|0,0,0]=2 625 B9R0.48 C=C(C)COC(=O)CCC CNP0002915.0 [0,2,0,0,0,0|0,0,2]=4 626 B9R0.48 CC=CC(=O)OCC(C)C CNP0002921.0 [0,2,0,0,0,0|0,0,0]=2 627 B9R0.48 CCCC(=O)COC(=O)C CNP0598796.0 [0,2,0,0,0,0|1,0,1]=4 628 B9R0.48 CCCC(=O)NCC(C)C CNP0405550.0 [0,2,0,0,0,0|1,0,0]=3 629 B9R0.48 CCCC(=O)OCC(C)C CNP0134371.0 [0,2,0,0,0,0|0,0,0]=2 630 B9R0.48 CCCC(C)CCC(=O)C CNP0484866.0 [0,2,0,0,0,0|1,0,0]=3 631 B9R0.48 CCOC(=O)C=CC(C)C CNP0167612.0 [0,2,0,0,0,0|1,0,1]=4 632 B9R0.48 CCOC(=O)CCC(C)C CNP0084329.0 [0,2,0,0,0,0|1,0,0]=3 633 B9R0.64 C=CC(C)(C)CCC(=C)C CNP0583335.0 [0,2,0,0,0,0|2,0,0]=4 634 B9R0.10 CC(=O)C=C(C)C(C)(C)C CNP0041607.0 [0,2,0,0,0,0|1,0,1]=4 635 B9R0.10 CC(=O)C=C(O)C(C)(C)C CNP0534330.0 [0,2,0,0,0,0|1,0,1]=4 636 B9R0.10 C[C@@H](OP(=O)C)C(C)(C)C CNP0590954.1 [0,2,0,0,0,0|1,0,0]=3 637 B9R0.11 CC(C)C[C@](C)(N)C(=O)O CNP0508050.1 [0,2,0,0,0,0|2,0,0]=4 638 B9R0.11 CC(C)[C@@](C)(O)CC(=O)O CNP0235534.2 [0,2,0,0,0,0|2,0,0]=4 639 B9R0.11 CC(C)[C@](C)(O)CC(=O)O CNP0235534.1 [0,2,0,0,0,0|2,0,0]=4 640 B9R0.39 CC(=O)C(=NO)CC(C)C CNP0159889.0 [0,2,0,0,0,0|1,0,0]=3 641 B9R0.39 CC(C)CC(=NO)C(=O)O CNP0082072.0 [0,2,0,0,0,0|2,0,0]=4 642 B9R0.39 CC(C)C[C@H](CS)C(=O)O CNP0552344.1 [0,2,0,0,0,0|2,0,0]=4 643 B9R0.39 CC(C)C[C@H](NO)C(=O)O CNP0205469.1 [0,2,0,0,0,0|2,0,0]=4 644 B9R0.39 CCC(OC(=O)C)C(C)C CNP0611985.0 [0,2,0,0,0,0|0,0,0]=2 645 B9R0.39 CC[C@@H](CC(=O)O)C(C)C CNP0293988.1 [0,2,0,0,0,0|2,0,0]=4 646 B9R0.39 CC[C@H](CC(=O)O)C(C)C CNP0293988.2 [0,2,0,0,0,0|2,0,0]=4 647 B9R0.39 CN[C@@H](CC(C)C)C(=O)O CNP0299896.1 [0,2,0,0,0,0|2,0,0]=4 648 B9R0.39 CN[C@H](CC(C)C)C(=O)O CNP0299896.2 [0,2,0,0,0,0|2,0,0]=4 649 B9R0.57 CC(C)(O)C[C@H](N)C(=O)O CNP0190763.1 [0,2,0,0,0,0|2,0,0]=4 650 B9R0.79 CC(=O)[C@@H](C)C(=O)C(C)C CNP0250974.2 [0,2,0,0,0,0|1,0,1]=4 651 B9R0.79 CC(=O)[C@H](C)C(=O)C(C)C CNP0250974.1 [0,2,0,0,0,0|1,0,1]=4 652 B9R0.79 CC(C)C(C)C(C)C(=O)O CNP0612187.0 [0,2,0,0,0,0|2,0,0]=4 653 B9R0.79 CC(C)[C@@H](O)[C@H](N)C(=O)O CNP0145515.1 [0,2,0,0,0,0|2,0,0]=4 654 B9R0.79 CC(C)[C@H](O)[C@H](N)C(=O)O CNP0145515.2 [0,2,0,0,0,0|2,0,0]=4 655 B7R1.2 CC1=CC(=O)OC1 CNP0565176.0 [1,0,0,1,0,0|0,0,2]=4 656 B7R1.2 CC1=NC(CN1)C CNP0564639.0 [1,0,0,1,0,0|2,0,0]=4 657 B7R1.2 CC1=NC[C@@H](N1)C CNP0268657.1 [1,0,0,1,0,0|2,0,0]=4 658 B7R1.2 CC1CCC(=O)C1 CNP0601005.0 [1,0,0,1,0,0|1,0,0]=3 659 B7R1.2 CC1CCC(=O)S1 CNP0014457.0 [1,0,0,1,0,0|2,0,0]=4 660 B7R1.2 CC1CNC(=O)C1 CNP0609130.0 [1,0,0,1,0,0|1,0,0]=3 661 B7R1.2 CC1COC(=O)O1 CNP0609065.0 [1,0,0,1,0,0|1,0,0]=3 662 B7R1.2 C[C@@H]1CCC(=O)O1 CNP0123835.1 [1,0,0,1,0,0|2,0,0]=4 663 B7R1.2 C[C@@H]1CC[C@@H](C1)C CNP0177457.1 [1,0,0,1,0,0|1,0,1]=4 664 B7R1.2 C[C@@H]1COC(=O)C1 CNP0323281.1 [1,0,0,1,0,0|0,0,0]=2 665 B7R1.2 C[C@H]1CCC(=O)O1 CNP0123835.2 [1,0,0,1,0,0|2,0,0]=4 666 B7R1.2 C[C@H]1COC(=O)C1 CNP0323281.2 [1,0,0,1,0,0|0,0,0]=2 667 B7R1.2 C[C@H]1COC(=S)N1 CNP0279656.1 [1,0,0,1,0,0|1,1,0]=4 668 B7R1.2 O=C1C[C@@H](CN1)O CNP0188830.1 [1,0,0,1,0,0|2,0,0]=4 669 B7R1.2 O=C1C[C@@H](CO1)O CNP0174638.1 [1,0,0,1,0,0|1,0,0]=3 670 B7R1.2 O=C1C[C@H](CN1)O CNP0188830.2 [1,0,0,1,0,0|2,0,0]=4 671 B7R1.2 O=C1C[C@H](CO1)O CNP0174638.2 [1,0,0,1,0,0|1,0,0]=3 672 B7R1.3 C=C1CCCCC1 CNP0312009.0 [1,0,0,1,0,0|2,0,0]=4 673 B7R1.3 CC1=CCCCC1 CNP0369235.0 [1,0,0,1,0,0|2,0,0]=4 674 B7R1.3 CC1CCCCC1 CNP0191222.0 [1,0,0,1,0,0|1,0,1]=4 675 B7R1.3 CC1CCCCO1 CNP0292894.0 [1,0,0,1,0,0|1,0,1]=4 676 B7R1.3 CC1CCNCC1 CNP0080033.0 [1,0,0,1,0,0|2,0,0]=4 677 B7R1.3 C[C@@H]1CC=CCC1 CNP0110127.1 [1,0,0,1,0,0|1,0,0]=3 678 B7R1.3 C[C@@H]1OCCCS1 CNP0153942.1 [1,0,0,1,0,0|0,1,1]=4 679 B7R1.3 N[C@@H]1CCC=NC1 CNP0491265.1 [1,0,0,1,0,0|2,0,0]=4 680 B7R1.3 O=C1C=CCCC1 CNP0212151.0 [1,0,0,1,0,0|1,0,1]=4 681 B7R1.3 O=C1CCC=CO1 CNP0002518.0 [1,0,0,1,0,0|0,0,2]=4 682 B7R1.3 O=C1CCCC=N1 CNP0335756.0 [1,0,0,1,0,0|1,0,1]=4 683 B7R1.3 O=C1CCCCC1 CNP0271526.0 [1,0,0,1,0,0|1,0,0]=3 684 B7R1.3 O=C1CCCCN1 CNP0142808.0 [1,0,0,1,0,0|1,0,0]=3 685 B7R1.3 O=C1CCCCO1 CNP0237404.0 [1,0,0,1,0,0|0,0,0]=2 686 B7R1.3 O=C1CCNCC1 CNP0212699.0 [1,0,0,1,0,0|2,0,0]=4 687 B7R1.3 O=C1COCCN1 CNP0517075.0 [1,0,0,1,0,0|2,0,0]=4 688 B7R1.3 OC1=CCCCC1 CNP0083987.0 [1,0,0,1,0,0|1,0,1]=4 689 B7R1.3 OC1=NCCCC1 CNP0547052.0 [1,0,0,1,0,0|1,0,1]=4 690 B7R1.3 OC1CC=CCC1 CNP0198711.0 [1,0,0,1,0,0|2,0,0]=4 691 B7R1.3 S=C1NCCCO1 CNP0326797.0 [1,0,0,1,0,0|1,1,0]=4 692 B7R1.7 CC=CCN1CC1 CNP0584372.0 [1,0,0,1,0,0|2,0,0]=4 693 B7R1.14 CC1(CCCC1)C CNP0125073.0 [1,0,0,1,0,0|1,0,1]=4 694 B7R1.17 C[C@]1(CCC1=O)O CNP0198495.1 [1,0,0,1,0,0|2,0,0]=4 695 B7R1.18 CC(=O)C1CCS1 CNP0002501.0 [1,0,0,1,0,0|2,0,0]=4 696 B7R1.23 CCC1OC1(C)C CNP0495056.0 [1,0,0,1,0,0|1,0,1]=4 697 B9R1.35 CC(C)C1=CC(=O)CC1 CNP0206297.0 [0,0,0,1,0,1|1,0,1]=4 698 B9R1.35 CC(C)C1=CC(=O)OC1 CNP0608486.0 [0,0,0,1,0,1|0,0,1]=3 699 B9R1.35 CC(C)[C@@H]1CCC(=O)O1 CNP0292712.2 [0,0,0,1,0,1|2,0,0]=4 700 B9R1.35 CC(C)[C@H]1C=CC(=O)N1 CNP0479799.1 [0,0,0,1,0,1|2,0,0]=4 701 B9R1.35 CC(C)[C@H]1C=CC(=O)O1 CNP0264367.1 [0,0,0,1,0,1|2,0,0]=4 702 B9R1.35 CC(C)[C@H]1CCC(=O)O1 CNP0292712.1 [0,0,0,1,0,1|2,0,0]=4 703 B9R1.35 CC(O)C1COC(=O)C1 CNP0564312.0 [0,0,0,1,0,1|1,0,0]=3 704 B9R1.35 C[C@@H]1CC[C@@H](C1)C(=O)O CNP0315118.1 [0,0,0,1,0,1|2,0,0]=4 705 B9R1.35 C[C@@H]1CN[C@@H](C1)C(=O)O CNP0293874.4 [0,0,0,1,0,1|2,0,0]=4 706 B9R1.35 C[C@@H]1CN[C@H](C1)C(=O)O CNP0293874.2 [0,0,0,1,0,1|2,0,0]=4 707 B9R1.35 C[C@H]1CN[C@@H](C1)C(=O)O CNP0293874.3 [0,0,0,1,0,1|2,0,0]=4 708 B9R1.35 C[C@H]1CN[C@H](C1)C(=O)O CNP0293874.1 [0,0,0,1,0,1|2,0,0]=4 709 B9R1.49 C=C1CCCC(CC1)C CNP0586791.0 [0,0,0,1,0,1|2,0,0]=4 710 B9R1.66 C[C@@]1(CCOC(=O)C1)O CNP0242599.2 [0,0,0,1,0,1|1,0,0]=3 711 B9R1.66 C[C@]1(CCOC(=O)C1)O CNP0242599.1 [0,0,0,1,0,1|1,0,0]=3 712 B9R1.85 O=C(O)CCCC1CC1 CNP0252470.0 [0,0,0,1,0,1|2,0,0]=4 713 B9R1.161 CC(C)C1OC1C(C)C CNP0501079.0 [0,0,0,1,0,1|1,0,1]=4 714 B9R1.1 CCC1CCC(=O)CC1 CNP0599298.0 [0,1,0,1,0,0|1,0,0]=3 715 B9R1.1 CC[C@H]1CC=C(CC1)C CNP0192246.1 [0,1,0,1,0,0|2,0,0]=4 716 B9R1.1 COC1CCC(=O)CC1 CNP0217757.0 [0,1,0,1,0,0|1,0,0]=3 717 B9R1.10 CC1=CCC(CC1)(C)C CNP0293216.0 [0,1,0,1,0,0|2,0,0]=4 718 B9R1.10 C[C@]1(C=CC(=O)CC1)O CNP0288961.1 [0,1,0,1,0,0|1,0,1]=4 719 B9R1.69 CC1=C(OC(=O)CC1)C CNP0612037.0 [0,1,0,1,0,0|0,0,2]=4 720 B9R1.69 CC1=CC(=O)OCC1O CNP0356511.0 [0,1,0,1,0,0|1,0,1]=4 721 B9R1.69 CC1C=CC(=O)CC1C CNP0611987.0 [0,1,0,1,0,0|1,0,1]=4 722 B9R1.69 CC1CC(=O)OCC1O CNP0415088.0 [0,1,0,1,0,0|1,0,0]=3 723 B9R1.69 CC1OC(C(CS1)C)C CNP0552382.0 [0,1,0,1,0,0|0,1,1]=4 724 B9R1.69 C[C@@H]1CCC(=O)O[C@H]1C CNP0250448.1 [0,1,0,1,0,0|0,0,0]=2 725 B9R1.69 C[C@@H]1OC(=O)CC[C@@H]1C CNP0250448.2 [0,1,0,1,0,0|0,0,0]=2 726 B9R1.69 O=C1C[C@H]([C@H](CO1)O)O CNP0254942.1 [0,1,0,1,0,0|1,0,0]=3 727 B9R1.80 C=CC(=O)OCC1CO1 CNP0610091.0 [0,1,0,1,0,0|1,0,1]=4 728 B9R1.125 CCC1(COC(=O)C1)C CNP0300906.0 [0,1,0,1,0,0|0,0,0]=2 729 B9R1.138 CC1(COC(=O)[C@@H]1O)C CNP0187947.1 [0,1,0,1,0,0|0,0,0]=2 730 B9R1.138 CC1(COC(=O)[C@H]1O)C CNP0187947.2 [0,1,0,1,0,0|0,0,0]=2 731 B9R1.138 CC1=C(C(CC1)(C)C)C CNP0159239.0 [0,1,0,1,0,0|2,0,0]=4 732 B9R1.138 CN1C(=O)CCC1(C)C CNP0587825.0 [0,1,0,1,0,0|1,0,0]=3 733 B9R1.185 COC(=O)[C@H]1NC1(C)C CNP0183519.1 [0,1,0,1,0,0|2,0,0]=4 734 B9R1.36 C[C@H]1CC(CC1=O)(C)C CNP0151852.1 [0,1,0,1,0,0|1,0,0]=3 735 B9R1.38 CC1(OC(=O)C[C@H]1O)C CNP0199015.1 [0,1,0,1,0,0|2,0,0]=4 736 B9R1.38 CC1=CC(=O)CC1(C)C CNP0611990.0 [0,1,0,1,0,0|1,0,1]=4 737 B9R1.112 N[C@@H](CC1CC1)C(=O)O CNP0115257.1 [0,1,0,1,0,0|2,0,0]=4 738 B9R2.19 C=C1CC[C@H]2C[C@@H]1C2 CNP0276296.1 [0,0,0,2,0,0|2,0,0]=4 739 B9R2.19 CC1=CC[C@H]2C[C@@H]1C2 CNP0261167.1 [0,0,0,2,0,0|2,0,0]=4 740 B9R2.19 O=C1CCC2CC1C2 CNP0336900.0 [0,0,0,2,0,0|1,0,0]=3 741 B9R2.49 C1CC2CCC1CO2 CNP0513490.0 [0,0,0,2,0,0|1,0,1]=4 742 B5R0.5 C=C(C)C(=O)C CNP0137327.0 [0,0,0,0,2,0|0,0,2]=4 743 B5R0.5 C=C(C)[C@@H](C)O CNP0221154.1 [0,0,0,0,2,0|2,0,0]=4 744 B5R0.5 C=C(C)[C@H](C)O CNP0221154.2 [0,0,0,0,2,0|2,0,0]=4 745 B5R0.5 C=C(O)C(C)C CNP0150035.0 [0,0,0,0,2,0|0,0,2]=4 746 B5R0.5 CC(=C(C)C)C CNP0192659.0 [0,0,0,0,2,0|1,0,1]=4 747 B5R0.5 CC(=C(C)O)C CNP0164530.0 [0,0,0,0,2,0|0,0,2]=4 748 B5R0.5 CC(=O)C(=O)C CNP0153215.0 [0,0,0,0,2,0|1,0,1]=4 749 B5R0.5 CC(=O)C(Br)Br CNP0186139.0 [0,0,0,0,2,0|2,0,0]=4 750 B5R0.5 CC(=O)C(C)C CNP0209504.0 [0,0,0,0,2,0|0,0,0]=2 751 B5R0.5 CC(=O)C(C)S CNP0409589.0 [0,0,0,0,2,0|1,0,0]=3 752 B5R0.5 CC(=O)C(O)O CNP0547141.0 [0,0,0,0,2,0|2,0,0]=4 753 B5R0.5 CC(=O)N(C)C CNP0083052.0 [0,0,0,0,2,0|1,0,0]=3 754 B5R0.5 CC(=O)[C@@H](C)O CNP0395416.2 [0,0,0,0,2,0|1,0,0]=3 755 B5R0.5 CC(=O)[C@H](C)O CNP0395416.1 [0,0,0,0,2,0|1,0,0]=3 756 B5R0.5 CC(C)C(=O)Cl CNP0337045.0 [0,0,0,0,2,0|1,0,0]=3 757 B5R0.5 CC(C)C(=O)N CNP0226996.0 [0,0,0,0,2,0|1,0,0]=3 758 B5R0.5 CC(C)C(=O)O CNP0197560.0 [0,0,0,0,2,0|1,0,0]=3 759 B5R0.5 CC(C)C(C)C CNP0183010.0 [0,0,0,0,2,0|1,0,1]=4 760 B5R0.5 CC(C)N(C)C CNP0419243.0 [0,0,0,0,2,0|2,0,0]=4 761 B5R0.5 CC(C)[C@@H](C)N CNP0573557.1 [0,0,0,0,2,0|1,0,1]=4 762 B5R0.5 CC(C)[C@@H](C)O CNP0315380.1 [0,0,0,0,2,0|0,0,2]=4 763 B5R0.5 CC(C)[C@@H](C)S CNP0316317.1 [0,0,0,0,2,0|0,1,1]=4 764 B5R0.5 CC(C)[C@H](C)O CNP0315380.2 [0,0,0,0,2,0|0,0,2]=4 765 B5R0.5 CC(C)[N+](=O)[O-] CNP0587963.0 [0,0,0,0,2,0|2,0,0]=4 766 B5R0.5 CC(O)C(=O)[O-] CNP0519619.0 [0,0,0,0,2,0|2,0,0]=4 767 B5R0.5 CC(O)C(=O)[O-] CNP0556254.0 [0,0,0,0,2,0|2,0,0]=4 768 B5R0.5 CC(O)C(=O)[O-] CNP0561690.0 [0,0,0,0,2,0|2,0,0]=4 769 B5R0.5 CC(O)C(=O)[O-] CNP0579849.0 [0,0,0,0,2,0|2,0,0]=4 770 B5R0.5 CC(O)C(=O)[O-] CNP0592207.0 [0,0,0,0,2,0|2,0,0]=4 771 B5R0.5 C[C@@H](N)C(=O)O CNP0313085.2 [0,0,0,0,2,0|2,0,0]=4 772 B5R0.5 C[C@@H](O)C(=O)O CNP0232038.2 [0,0,0,0,2,0|2,0,0]=4 773 B5R0.5 C[C@H](N)C(=O)O CNP0313085.1 [0,0,0,0,2,0|2,0,0]=4 774 B5R0.5 C[C@H](O)C(=O)O CNP0232038.1 [0,0,0,0,2,0|2,0,0]=4 775 B5R0.5 C[C@H](S)C(=O)O CNP0223404.1 [0,0,0,0,2,0|2,0,0]=4 776 B9R0.55 CC(=O)C=CCCC(C)C CNP0019322.0 [0,0,0,0,0,2|1,0,0]=3 777 B9R0.55 CC(=O)CCCCC(C)C CNP0596169.0 [0,0,0,0,0,2|1,0,0]=3 778 B9R0.55 CC(=O)OCC=CC(C)C CNP0539988.0 [0,0,0,0,0,2|0,0,0]=2 779 B9R0.55 CC(C)CCCCC(=O)N CNP0291155.0 [0,0,0,0,0,2|2,0,0]=4 780 B9R0.55 CC(C)CCCCC(=O)O CNP0196819.0 [0,0,0,0,0,2|2,0,0]=4