0 B7R0.4 C=C(C)C=CC=CC CNP0393137.0 [0,0,0,0,0,0|2,0,2]=4 1 B7R0.4 C=C(O)CCCCC CNP0475201.0 [0,0,0,0,0,0|1,0,2]=3 2 B7R0.4 C=CCCCC(=O)O CNP0553840.0 [0,0,0,0,0,0|0,0,4]=4 3 B7R0.4 C=CCNCC(=O)O CNP0542042.0 [0,0,0,0,0,0|1,0,3]=4 4 B7R0.4 CC(=O)OCCCS CNP0325111.0 [0,0,0,0,0,0|3,0,1]=4 5 B7R0.4 CC/C=C/C[C@H](C)O CNP0273661.3 [0,0,0,0,0,0|1,0,3]=4 6 B7R0.4 CC/C=C\C[C@@H](C)O CNP0273661.2 [0,0,0,0,0,0|1,0,3]=4 7 B7R0.4 CC/C=C\C[C@H](C)O CNP0273661.1 [0,0,0,0,0,0|1,0,3]=4 8 B7R0.4 CC=CC=CC(=O)C CNP0332734.0 [0,0,0,0,0,0|1,0,2]=3 9 B7R0.4 CC=CC=CC(=O)O CNP0333361.0 [0,0,0,0,0,0|0,0,2]=2 10 B7R0.4 CC=CCCC(=O)O CNP0086055.0 [0,0,0,0,0,0|0,0,4]=4 11 B7R0.4 CCC=CCC(=O)C CNP0207647.0 [0,0,0,0,0,0|1,0,2]=3 12 B7R0.4 CCC=CCC(=O)O CNP0276461.0 [0,0,0,0,0,0|0,0,2]=2 13 B7R0.4 CCC=NNC(=O)N CNP0040516.0 [0,0,0,0,0,0|3,0,1]=4 14 B7R0.4 CCCC=CC(=O)C CNP0280826.0 [0,0,0,0,0,0|1,0,0]=1 15 B7R0.4 CCCC=CC(=O)O CNP0215085.0 [0,0,0,0,0,0|0,0,0]=0 16 B7R0.4 CCCCCC(=O)C CNP0240774.0 [0,0,0,0,0,0|1,0,2]=3 17 B7R0.4 CCCCCC(=O)N CNP0077222.0 [0,0,0,0,0,0|1,0,2]=3 18 B7R0.4 CCCCCC(=O)O CNP0210437.0 [0,0,0,0,0,0|0,0,2]=2 19 B7R0.4 CCCCCC(=S)O CNP0092443.0 [0,0,0,0,0,0|0,1,2]=3 20 B7R0.4 CCCCC[14C](=O)O CNP0563421.0 [0,0,0,0,0,0|0,0,2]=2 21 B7R0.4 CCCCC[C@@H](C)O CNP0256316.1 [0,0,0,0,0,0|1,0,3]=4 22 B7R0.4 CCCCC[C@H](C)O CNP0256316.2 [0,0,0,0,0,0|1,0,3]=4 23 B7R0.4 CCCCNC(=S)N CNP0137764.0 [0,0,0,0,0,0|2,1,1]=4 24 B7R0.4 CCCCOC(=O)C CNP0158571.0 [0,0,0,0,0,0|2,0,1]=3 25 B7R0.4 CCCSOC(=O)C CNP0411356.0 [0,0,0,0,0,0|3,0,0]=3 26 B7R0.4 CCNCNC(=O)N CNP0182596.0 [0,0,0,0,0,0|3,0,1]=4 27 B7R0.4 CCOCC=C(C)C CNP0002719.0 [0,0,0,0,0,0|3,0,1]=4 28 B7R0.4 CCOCCC(=O)C CNP0086134.0 [0,0,0,0,0,0|2,0,2]=4 29 B7R0.4 CCOCCC(=O)O CNP0566237.0 [0,0,0,0,0,0|1,0,2]=3 30 B7R0.4 CNCCCC(=O)O CNP0216187.0 [0,0,0,0,0,0|1,0,2]=3 31 B7R0.4 COCCCC(=O)C CNP0580201.0 [0,0,0,0,0,0|2,0,2]=4 32 B7R0.4 COCCOC(=O)C CNP0278807.0 [0,0,0,0,0,0|3,0,1]=4 33 B7R0.4 N#CCCCC(=O)O CNP0192028.0 [0,0,0,0,0,0|1,0,3]=4 34 B7R0.4 NC(=O)COCCO CNP0488363.0 [0,0,0,0,0,0|3,0,1]=4 35 B7R0.4 NCCCCC(=O)N CNP0001733.0 [0,0,0,0,0,0|2,0,2]=4 36 B7R0.4 NCCCCC(=O)O CNP0167970.0 [0,0,0,0,0,0|1,0,2]=3 37 B7R0.4 NCCNCC(=O)O CNP0461877.0 [0,0,0,0,0,0|2,0,1]=3 38 B7R0.4 O=C(O)CCCCO CNP0601188.0 [0,0,0,0,0,0|1,0,2]=3 39 B7R0.4 O=C(O)CNCCO CNP0333030.0 [0,0,0,0,0,0|2,0,1]=3 40 B7R0.4 O=CCCCC(=O)O CNP0051154.0 [0,0,0,0,0,0|1,0,3]=4 41 B6R0.4 C=CC=CC(=O)O CNP0076475.0 [1,0,0,0,0,0|0,0,2]=3 42 B6R0.4 C=CCCC(=O)O CNP0003359.0 [1,0,0,0,0,0|0,0,3]=4 43 B6R0.4 CC(=CCCN)C CNP0568876.0 [1,0,0,0,0,0|3,0,0]=4 44 B6R0.4 CC(=CCCO)C CNP0410779.0 [1,0,0,0,0,0|3,0,0]=4 45 B6R0.4 CC(=O)NCCN CNP0182526.0 [1,0,0,0,0,0|3,0,0]=4 46 B6R0.4 CC(=O)NCCO CNP0304709.0 [1,0,0,0,0,0|3,0,0]=4 47 B6R0.4 CC(=O)NCCS CNP0516453.0 [1,0,0,0,0,0|3,0,0]=4 48 B6R0.4 CC(=O)OCCI CNP0274212.0 [1,0,0,0,0,0|3,0,0]=4 49 B6R0.4 CC(=O)OCCN CNP0165405.0 [1,0,0,0,0,0|3,0,0]=4 50 B6R0.4 CC(=O)OCCO CNP0589275.0 [1,0,0,0,0,0|3,0,0]=4 51 B6R0.4 CC=CC=C(C)C CNP0318303.0 [1,0,0,0,0,0|2,0,1]=4 52 B6R0.4 CC=CCC(=O)O CNP0610144.0 [1,0,0,0,0,0|0,0,2]=3 53 B6R0.4 CCC=CC(=O)C CNP0129352.0 [1,0,0,0,0,0|1,0,0]=2 54 B6R0.4 CCC=CC(=O)O CNP0185292.0 [1,0,0,0,0,0|0,0,0]=1 55 B6R0.4 CCCC=C(C)O CNP0268446.0 [1,0,0,0,0,0|1,0,0]=2 56 B6R0.4 CCCCB(O)O CNP0482760.0 [1,0,0,0,0,0|1,0,2]=4 57 B6R0.4 CCCCC(=O)C CNP0194685.0 [1,0,0,0,0,0|1,0,1]=3 58 B6R0.4 CCCCC(=O)N CNP0248834.0 [1,0,0,0,0,0|1,0,1]=3 59 B6R0.4 CCCCC(=O)O CNP0144818.0 [1,0,0,0,0,0|0,0,1]=2 60 B6R0.4 CCCC[11C](=O)O CNP0540258.0 [1,0,0,0,0,0|0,0,1]=2 61 B6R0.4 CCCC[C@@H](C)O CNP0276755.1 [1,0,0,0,0,0|1,0,2]=4 62 B6R0.4 CCCC[C@H](C)O CNP0276755.2 [1,0,0,0,0,0|1,0,2]=4 63 B6R0.4 CCCNC(=O)C CNP0115400.0 [1,0,0,0,0,0|2,0,0]=3 64 B6R0.4 CCCOC(=O)C CNP0274142.0 [1,0,0,0,0,0|2,0,0]=3 65 B6R0.4 CCCSC(=O)C CNP0076500.0 [1,0,0,0,0,0|2,0,0]=3 66 B6R0.4 CCNCC(=O)O CNP0076362.0 [1,0,0,0,0,0|1,0,1]=3 67 B6R0.4 CCOCC(=O)N CNP0329352.0 [1,0,0,0,0,0|2,0,1]=4 68 B6R0.4 CCOCC(=O)O CNP0229583.0 [1,0,0,0,0,0|1,0,1]=3 69 B6R0.4 CNCCC(=O)O CNP0502963.0 [1,0,0,0,0,0|1,0,1]=3 70 B6R0.4 COCC=C(C)C CNP0493784.0 [1,0,0,0,0,0|3,0,0]=4 71 B6R0.4 CSC=CC(=O)N CNP0140289.0 [1,0,0,0,0,0|2,0,0]=3 72 B6R0.4 CSC=CC(=O)O CNP0140653.0 [1,0,0,0,0,0|1,0,0]=2 73 B6R0.4 CSCCC(=O)C CNP0353152.0 [1,0,0,0,0,0|2,0,1]=4 74 B6R0.4 CSCCC(=O)N CNP0220146.0 [1,0,0,0,0,0|2,0,1]=4 75 B6R0.4 CSCCC(=O)O CNP0143779.0 [1,0,0,0,0,0|1,0,1]=3 76 B6R0.4 CSCSC(=O)C CNP0232862.0 [1,0,0,0,0,0|3,0,0]=4 77 B6R0.4 C[N+]CCC(=O)[O-] CNP0588104.0 [1,0,0,0,0,0|1,0,2]=4 78 B6R0.4 NC(=O)CCCO CNP0573523.0 [1,0,0,0,0,0|2,0,1]=4 79 B6R0.4 NCC=CC(=O)O CNP0250683.0 [1,0,0,0,0,0|1,0,0]=2 80 B6R0.4 NCCCC(=O)O CNP0116256.0 [1,0,0,0,0,0|1,0,1]=3 81 B6R0.4 O=C(O)C=CCO CNP0097506.0 [1,0,0,0,0,0|1,0,0]=2 82 B6R0.4 O=C(O)CCCO CNP0236331.0 [1,0,0,0,0,0|1,0,1]=3 83 B6R0.4 O=C([O-])CCCO CNP0492590.0 [1,0,0,0,0,0|1,0,2]=4 84 B6R0.4 O=CCCC(=O)O CNP0318740.0 [1,0,0,0,0,0|1,0,2]=4 85 B6R0.6 C=CC=CC=CC CNP0610379.0 [1,0,0,0,0,0|1,0,2]=4 86 B6R0.6 C=CC=CCCC CNP0526826.0 [1,0,0,0,0,0|1,0,0]=2 87 B6R0.6 C=CCCCCC CNP0226691.0 [1,0,0,0,0,0|1,0,2]=4 88 B6R0.6 C=CCSCCC CNP0150756.0 [1,0,0,0,0,0|2,0,1]=4 89 B6R0.6 C=COCCCC CNP0077236.0 [1,0,0,0,0,0|2,0,1]=4 90 B6R0.6 CC#CC=CCO CNP0610509.0 [1,0,0,0,0,0|0,0,3]=4 91 B6R0.6 CC=CC=CC=O CNP0182801.0 [1,0,0,0,0,0|0,0,2]=3 92 B6R0.6 CC=CC=CCC CNP0608489.0 [1,0,0,0,0,0|1,0,1]=3 93 B6R0.6 CC=CC=CCO CNP0292375.0 [1,0,0,0,0,0|0,0,3]=4 94 B6R0.6 CC=CCCCC CNP0158475.0 [1,0,0,0,0,0|1,0,1]=3 95 B6R0.6 CC=CCCCO CNP0309139.0 [1,0,0,0,0,0|2,0,1]=4 96 B6R0.6 CC=CCSCC CNP0575773.0 [1,0,0,0,0,0|2,0,1]=4 97 B6R0.6 CC=CSCCC CNP0320861.0 [1,0,0,0,0,0|2,0,0]=3 98 B6R0.6 CC=CSSCC CNP0418756.0 [1,0,0,0,0,0|3,0,0]=4 99 B6R0.6 CCC=C=CC=O CNP0611366.0 [1,0,0,0,0,0|0,0,2]=3 100 B6R0.6 CCC=CCC=O CNP0227189.0 [1,0,0,0,0,0|0,0,2]=3 101 B6R0.6 CCC=CCCC CNP0391454.0 [1,0,0,0,0,0|1,0,1]=3 102 B6R0.6 CCC=CCCO CNP0255718.0 [1,0,0,0,0,0|0,0,3]=4 103 B6R0.6 CCCC#CCO CNP0314465.0 [1,0,0,0,0,0|0,0,3]=4 104 B6R0.6 CCCC=CC=O CNP0263913.0 [1,0,0,0,0,0|0,0,0]=1 105 B6R0.6 CCCC=CCO CNP0254124.0 [1,0,0,0,0,0|0,0,1]=2 106 B6R0.6 CCCC=CNO CNP0162409.0 [1,0,0,0,0,0|1,0,0]=2 107 B6R0.6 CCCCC=CO CNP0511187.0 [1,0,0,0,0,0|0,0,1]=2 108 B6R0.6 CCCCC=NO CNP0149695.0 [1,0,0,0,0,0|1,0,1]=3 109 B6R0.6 CCCCCC=O CNP0304790.0 [1,0,0,0,0,0|0,0,2]=3 110 B6R0.6 CCCCCCO CNP0317600.0 [1,0,0,0,0,0|0,0,3]=4 111 B6R0.6 CCCCNC=O CNP0082472.0 [1,0,0,0,0,0|1,0,1]=3 112 B6R0.6 CCCCOC=O CNP0282325.0 [1,0,0,0,0,0|1,0,1]=3 113 B6R0.6 CCCCON=O CNP0003508.0 [1,0,0,0,0,0|2,0,1]=4 114 B6R0.6 CCCOCCO CNP0079853.0 [1,0,0,0,0,0|1,0,2]=4 115 B6R0.6 CSCCCC=O CNP0002814.0 [1,0,0,0,0,0|1,0,2]=4 116 B6R0.6 NCCCCC=O CNP0083786.0 [1,0,0,0,0,0|1,0,2]=4 117 B8R0.5 CC(=CC(=O)O)CCO CNP0227201.0 [0,1,0,0,0,0|1,0,0]=2 118 B8R0.5 CCCC(=CC(=O)C)C CNP0608479.0 [0,1,0,0,0,0|1,0,0]=2 119 B8R0.5 CCCC(=CC(=O)O)C CNP0329572.0 [0,1,0,0,0,0|0,0,0]=1 120 B8R0.5 CCCC(=O)C=C(C)C CNP0207293.0 [0,1,0,0,0,0|2,0,0]=3 121 B8R0.5 CCCC(=O)CC(=O)C CNP0351307.0 [0,1,0,0,0,0|1,0,1]=3 122 B8R0.5 CCCC(=O)CC(=O)O CNP0037462.0 [0,1,0,0,0,0|0,0,1]=2 123 B8R0.5 CCCC(C)CC(=O)C CNP0612236.0 [0,1,0,0,0,0|1,0,2]=4 124 B8R0.5 CCC[C@@H](O)CC(=O)O CNP0065850.1 [0,1,0,0,0,0|0,0,2]=3 125 B8R0.5 CCC[C@H](C)CC(=O)O CNP0320012.1 [0,1,0,0,0,0|0,0,2]=3 126 B8R0.5 CCC[C@H](C)OC(=O)C CNP0140745.1 [0,1,0,0,0,0|2,0,1]=4 127 B8R0.5 CCC[C@H](O)CC(=O)O CNP0065850.2 [0,1,0,0,0,0|0,0,2]=3 128 B8R0.5 CCOC(=O)C=C(Br)Br CNP0238604.0 [0,1,0,0,0,0|3,0,0]=4 129 B8R0.5 CCOC(=O)C=C(C)C CNP0502082.0 [0,1,0,0,0,0|3,0,0]=4 130 B8R0.5 CCOC(=O)C=C(Cl)Cl CNP0166336.0 [0,1,0,0,0,0|3,0,0]=4 131 B8R0.5 CCOC(=O)CC(=O)C CNP0003525.0 [0,1,0,0,0,0|2,0,1]=4 132 B8R0.5 CCOC(=O)CC(=O)N CNP0369111.0 [0,1,0,0,0,0|2,0,1]=4 133 B8R0.5 CCOC(=O)CC(=O)O CNP0380624.0 [0,1,0,0,0,0|1,0,1]=3 134 B8R0.5 CCOC(=O)NC(=O)N CNP0241486.0 [0,1,0,0,0,0|3,0,0]=4 135 B8R0.5 NCC[C@H](O)CC(=O)O CNP0229084.1 [0,1,0,0,0,0|1,0,2]=4 136 B8R0.6 C=CC(=O)CC=CCC CNP0046682.0 [0,1,0,0,0,0|1,0,2]=4 137 B8R0.6 C=CC(=O)CCCCC CNP0297364.0 [0,1,0,0,0,0|1,0,2]=4 138 B8R0.6 C=CC(=O)OCCCC CNP0191898.0 [0,1,0,0,0,0|2,0,1]=4 139 B8R0.6 C=C[C@@H](O)/C=C/CCC CNP0182495.1 [0,1,0,0,0,0|1,0,1]=3 140 B8R0.6 CC=C(O)CCCCC CNP0174345.0 [0,1,0,0,0,0|1,0,2]=4 141 B8R0.6 CC=CC=CC(=O)OC CNP0320063.0 [0,1,0,0,0,0|0,0,2]=3 142 B8R0.6 CCC=CCC(=O)OC CNP0261842.0 [0,1,0,0,0,0|0,0,2]=3 143 B8R0.6 CCCC=CC(=O)CC CNP0017905.0 [0,1,0,0,0,0|1,0,0]=2 144 B8R0.6 CCCC=CC(=O)OC CNP0385542.0 [0,1,0,0,0,0|0,0,0]=1 145 B8R0.6 CCCCC=C(C)C=O CNP0586407.0 [0,1,0,0,0,0|1,0,1]=3 146 B8R0.6 CCCCCC(=NO)C CNP0241223.0 [0,1,0,0,0,0|1,0,2]=4 147 B8R0.6 CCCCCC(=O)CC CNP0381627.0 [0,1,0,0,0,0|1,0,2]=4 148 B8R0.6 CCCCCC(=O)CO CNP0546319.0 [0,1,0,0,0,0|0,0,2]=3 149 B8R0.6 CCCCCC(=O)OC CNP0192346.0 [0,1,0,0,0,0|0,0,2]=3 150 B8R0.6 CCCCCC(=O)SC CNP0018085.0 [0,1,0,0,0,0|0,1,2]=4 151 B8R0.6 CCCCNC(=N)NO CNP0535503.0 [0,1,0,0,0,0|2,0,1]=4 152 B8R0.6 CCCCOC(=O)CC CNP0139208.0 [0,1,0,0,0,0|2,0,1]=4 153 B8R0.6 CCNC=CC(=O)OC CNP0034693.0 [0,1,0,0,0,0|1,0,0]=2 154 B8R0.6 CCOC=CC(=O)C=O CNP0344823.0 [0,1,0,0,0,0|1,0,1]=3 155 B8R0.6 COC(=O)CCCSC CNP0313998.0 [0,1,0,0,0,0|1,0,2]=4 156 B8R0.6 COCCCC(=O)OC CNP0580088.0 [0,1,0,0,0,0|1,0,2]=4 157 B8R0.7 C=C(O)CCCCCC CNP0584840.0 [0,1,0,0,0,0|1,0,2]=4 158 B8R0.7 C=CCCC=CC(=O)C CNP0360839.0 [0,1,0,0,0,0|1,0,1]=3 159 B8R0.7 CC(=O)NCCCCN CNP0279373.0 [0,1,0,0,0,0|2,0,1]=4 160 B8R0.7 CC/C=C/C=C/[C@H](C)O CNP0374184.1 [0,1,0,0,0,0|1,0,2]=4 161 B8R0.7 CC=CCC=CC(=O)C CNP0611711.0 [0,1,0,0,0,0|1,0,1]=3 162 B8R0.7 CC=CCCCC(=O)O CNP0248463.0 [0,1,0,0,0,0|0,0,3]=4 163 B8R0.7 CCC=CC=CC(=O)C CNP0389633.0 [0,1,0,0,0,0|1,0,1]=3 164 B8R0.7 CCC=CC=CC(=O)O CNP0376269.0 [0,1,0,0,0,0|0,0,1]=2 165 B8R0.7 CCC=CCCC(=O)C CNP0225225.0 [0,1,0,0,0,0|1,0,2]=4 166 B8R0.7 CCC=CCCC(=O)Cl CNP0194264.0 [0,1,0,0,0,0|1,0,2]=4 167 B8R0.7 CCC=CCCC(=O)O CNP0132792.0 [0,1,0,0,0,0|0,0,2]=3 168 B8R0.7 CCCCC=CC(=O)C CNP0125606.0 [0,1,0,0,0,0|1,0,0]=2 169 B8R0.7 CCCCC=CC(=O)O CNP0199006.0 [0,1,0,0,0,0|0,0,0]=1 170 B8R0.7 CCCCC=CC(C)O CNP0003219.0 [0,1,0,0,0,0|1,0,1]=3 171 B8R0.7 CCCCCC=C(C)C CNP0153071.0 [0,1,0,0,0,0|2,0,1]=4 172 B8R0.7 CCCCCC=C(C)O CNP0546798.0 [0,1,0,0,0,0|1,0,1]=3 173 B8R0.7 CCCCCCC(=O)C CNP0325160.0 [0,1,0,0,0,0|1,0,2]=4 174 B8R0.7 CCCCCCC(=O)Cl CNP0211048.0 [0,1,0,0,0,0|1,0,2]=4 175 B8R0.7 CCCCCCC(=O)N CNP0248097.0 [0,1,0,0,0,0|1,0,2]=4 176 B8R0.7 CCCCCCC(=O)O CNP0141686.0 [0,1,0,0,0,0|0,0,2]=3 177 B8R0.7 CCCCCC[N+](=O)O CNP0515303.0 [0,1,0,0,0,0|1,0,2]=4 178 B8R0.7 CCCCCOC(=O)C CNP0227990.0 [0,1,0,0,0,0|1,0,2]=4 179 B8R0.7 CCCCOCC(=O)O CNP0524848.0 [0,1,0,0,0,0|0,0,2]=3 180 B8R0.7 CCCOCCC(=O)C CNP0376956.0 [0,1,0,0,0,0|1,0,2]=4 181 B8R0.7 CCOCC=CC(C)C CNP0076367.0 [0,1,0,0,0,0|2,0,1]=4 182 B8R0.7 COCCCOC(=O)C CNP0076800.0 [0,1,0,0,0,0|2,0,1]=4 183 B8R0.7 CSCCCOC(=O)C CNP0179840.0 [0,1,0,0,0,0|2,0,1]=4 184 B8R0.7 NCCCCCC(=O)O CNP0337210.0 [0,1,0,0,0,0|0,0,2]=3 185 B8R0.7 NCCCCNC(=O)N CNP0414848.0 [0,1,0,0,0,0|2,0,1]=4 186 B8R0.7 O=C(O)CCCCCO CNP0079830.0 [0,1,0,0,0,0|0,0,2]=3 187 B8R0.7 O=CCCCCC(=O)O CNP0080387.0 [0,1,0,0,0,0|0,0,3]=4 188 B8R0.8 CC=CC=C(C)C(=O)O CNP0232532.0 [0,1,0,0,0,0|0,0,2]=3 189 B8R0.8 CC=CCC(=O)C(=O)O CNP0039231.0 [0,1,0,0,0,0|0,0,3]=4 190 B8R0.8 CCCC=C(C)C(=O)C CNP0077419.0 [0,1,0,0,0,0|1,0,0]=2 191 B8R0.8 CCCC=C(C)C(=O)O CNP0589734.0 [0,1,0,0,0,0|0,0,0]=1 192 B8R0.8 CCCCC(=O)C(=O)C CNP0125705.0 [0,1,0,0,0,0|1,0,1]=3 193 B8R0.8 CCCCC(=O)C(=O)O CNP0301313.0 [0,1,0,0,0,0|0,0,1]=2 194 B8R0.8 CCCCC(=O)C(C)O CNP0255331.0 [0,1,0,0,0,0|1,0,2]=4 195 B8R0.8 CCCCC(=O)[C@H](C)O CNP0255331.1 [0,1,0,0,0,0|1,0,2]=4 196 B8R0.8 CCCC[C@@H](C)C(=O)O CNP0131779.1 [0,1,0,0,0,0|0,0,2]=3 197 B8R0.8 CCCC[C@@H](N)C(=O)O CNP0177876.2 [0,1,0,0,0,0|0,0,2]=3 198 B8R0.8 CCCC[C@H](Br)C(=O)Br CNP0017823.1 [0,1,0,0,0,0|1,0,2]=4 199 B8R0.8 CCCC[C@H](Br)C(=O)O CNP0017777.1 [0,1,0,0,0,0|0,0,2]=3 200 B8R0.8 CCCC[C@H](N)C(=O)O CNP0177876.1 [0,1,0,0,0,0|0,0,2]=3 201 B8R0.8 CCCC[C@H](O)C(=O)O CNP0296365.1 [0,1,0,0,0,0|0,0,2]=3 202 B8R0.8 CCSC[C@H](N)C(=O)O CNP0566350.1 [0,1,0,0,0,0|1,0,2]=4 203 B8R0.8 CO/C=C/[C@H](N)C(=O)O CNP0277704.1 [0,1,0,0,0,0|1,0,2]=4 204 B8R0.8 CO/C=C\[C@H](N)C(=O)O CNP0277704.2 [0,1,0,0,0,0|1,0,2]=4 205 B8R0.8 CSCCC(=O)C(=O)C CNP0269009.0 [0,1,0,0,0,0|2,0,1]=4 206 B8R0.8 CSCCC(=O)C(=O)O CNP0135111.0 [0,1,0,0,0,0|1,0,1]=3 207 B8R0.8 CSCCC(O)C(=O)O CNP0398053.0 [0,1,0,0,0,0|1,0,2]=4 208 B8R0.8 CSCC[C@@H](N)C(=O)O CNP0217457.2 [0,1,0,0,0,0|1,0,2]=4 209 B8R0.8 CSCC[C@H](N)C(=O)O CNP0217457.1 [0,1,0,0,0,0|1,0,2]=4 210 B8R0.8 C[C@@H](CCCN)C(=O)O CNP0300742.1 [0,1,0,0,0,0|1,0,2]=4 211 B8R0.8 C[C@H](NCCO)C(=O)O CNP0270315.1 [0,1,0,0,0,0|2,0,1]=4 212 B8R0.8 C[Se]CC[C@H](N)C(=O)O CNP0196017.1 [0,1,0,0,0,0|1,0,2]=4 213 B8R0.8 NCCCC(=O)C(=O)O CNP0082812.0 [0,1,0,0,0,0|1,0,1]=3 214 B8R0.8 NCCC[C@@H](N)C(=O)O CNP0102727.2 [0,1,0,0,0,0|1,0,2]=4 215 B8R0.8 NCCC[C@@H](O)C(=O)O CNP0154820.1 [0,1,0,0,0,0|1,0,2]=4 216 B8R0.8 NCCC[C@H](N)C(=O)O CNP0102727.1 [0,1,0,0,0,0|1,0,2]=4 217 B8R0.8 NCCNC(=O)C(=O)N CNP0471629.0 [0,1,0,0,0,0|3,0,0]=4 218 B8R0.8 N[C@@H](CCCO)C(=O)O CNP0218644.1 [0,1,0,0,0,0|1,0,2]=4 219 B8R0.8 N[C@H](CCCO)C(=O)O CNP0218644.2 [0,1,0,0,0,0|1,0,2]=4 220 B8R0.9 CC(=O)C=CC(=O)CO CNP0106535.0 [0,1,0,0,0,0|2,0,1]=4 221 B8R0.9 CCC(=O)C=CC(=O)C CNP0247275.0 [0,1,0,0,0,0|1,0,1]=3 222 B8R0.9 CCC(=O)CCC(=O)O CNP0609090.0 [0,1,0,0,0,0|0,0,3]=4 223 B8R0.9 CCC(=O)NCC(=O)O CNP0322949.0 [0,1,0,0,0,0|1,0,2]=4 224 B8R0.9 CCC(C)C=CC(=O)C CNP0546315.0 [0,1,0,0,0,0|1,0,0]=2 225 B8R0.9 CCC(C)CCC(=O)C CNP0351126.0 [0,1,0,0,0,0|1,0,2]=4 226 B8R0.9 CCC(O)C=CC(=O)O CNP0352408.0 [0,1,0,0,0,0|0,0,0]=1 227 B8R0.9 CC[C@@H](C)/C=C/C(=O)O CNP0190272.2 [0,1,0,0,0,0|0,0,0]=1 228 B8R0.9 CC[C@@H](C)COC(=O)C CNP0147650.2 [0,1,0,0,0,0|2,0,1]=4 229 B8R0.9 CC[C@@H](N)CCC(=O)O CNP0584054.1 [0,1,0,0,0,0|0,0,2]=3 230 B8R0.9 CC[C@@H](O)C=CC(=O)O CNP0352408.1 [0,1,0,0,0,0|0,0,0]=1 231 B8R0.9 CC[C@H](C)/C=C/C(=O)O CNP0190272.1 [0,1,0,0,0,0|0,0,0]=1 232 B8R0.9 CC[C@H](C)CCC(=O)O CNP0326615.1 [0,1,0,0,0,0|0,0,2]=3 233 B8R0.9 CC[C@H](C)COC(=O)C CNP0147650.1 [0,1,0,0,0,0|2,0,1]=4 234 B8R0.9 COC(=O)C=CC(=O)N CNP0302670.0 [0,1,0,0,0,0|2,0,1]=4 235 B8R0.9 COC(=O)C=CC(=O)O CNP0273242.0 [0,1,0,0,0,0|1,0,1]=3 236 B8R0.9 NC[C@@H](N)CCC(=O)O CNP0280989.1 [0,1,0,0,0,0|1,0,2]=4 237 B8R0.9 NC[C@@H](O)CCC(=O)O CNP0204037.1 [0,1,0,0,0,0|1,0,2]=4 238 B8R0.9 NC[C@H](N)CCC(=O)O CNP0280989.2 [0,1,0,0,0,0|1,0,2]=4 239 B8R0.9 O=C(O)CC[C@H](O)CO CNP0251950.1 [0,1,0,0,0,0|1,0,2]=4 240 B8R0.28 C=C(C)C=CCC(=C)C CNP0611898.0 [0,1,0,0,0,0|2,0,1]=4 241 B8R0.28 CC(=CC=CC(C)C)C CNP0313251.0 [0,1,0,0,0,0|2,0,1]=4 242 B8R0.28 CC(=CCC[C@@H](C)O)C CNP0250398.2 [0,1,0,0,0,0|2,0,1]=4 243 B8R0.28 CC(=CCC[C@H](C)O)C CNP0250398.1 [0,1,0,0,0,0|2,0,1]=4 244 B8R0.28 CC(=O)C=CC=C(C)C CNP0275973.0 [0,1,0,0,0,0|1,0,2]=4 245 B8R0.28 CC(=O)C=CCC(C)C CNP0400137.0 [0,1,0,0,0,0|1,0,0]=2 246 B8R0.28 CC(=O)CCCC(=O)O CNP0456571.0 [0,1,0,0,0,0|0,0,3]=4 247 B8R0.28 CC(=O)CCCC(C)C CNP0354382.0 [0,1,0,0,0,0|1,0,2]=4 248 B8R0.28 CC(=O)NCCC(C)C CNP0189958.0 [0,1,0,0,0,0|2,0,1]=4 249 B8R0.28 CC(=O)OCCC(C)C CNP0303079.0 [0,1,0,0,0,0|2,0,1]=4 250 B8R0.28 CC(=O)OCCC(C)S CNP0003245.0 [0,1,0,0,0,0|2,0,1]=4 251 B8R0.28 CC(C)C=CCC(=O)O CNP0441019.0 [0,1,0,0,0,0|0,0,2]=3 252 B8R0.28 CC(C)CCCC(=O)N CNP0540876.0 [0,1,0,0,0,0|1,0,2]=4 253 B8R0.28 CC(C)CCCC(=O)O CNP0255582.0 [0,1,0,0,0,0|0,0,2]=3 254 B8R0.28 CC(C)CCCC(=O)S CNP0536483.0 [0,1,0,0,0,0|0,1,2]=4 255 B8R0.28 CC(O)CC=CC(=O)O CNP0482180.0 [0,1,0,0,0,0|0,0,0]=1 256 B8R0.28 CN(C)CCCC(=O)O CNP0321126.0 [0,1,0,0,0,0|1,0,2]=4 257 B8R0.28 C[C@@H](O)CCCC(=O)O CNP0082052.1 [0,1,0,0,0,0|0,0,2]=3 258 B8R0.28 N=C(N)SC=CC(=O)O CNP0031971.0 [0,1,0,0,0,0|2,0,1]=4 259 B8R0.28 NC(=O)NC=CC(=O)O CNP0395039.0 [0,1,0,0,0,0|2,0,1]=4 260 B8R0.28 O=C(O)C=CCC(=O)O CNP0111503.0 [0,1,0,0,0,0|1,0,1]=3 261 B8R1.1 CC1=CC=C(O1)CO CNP0526210.0 [0,0,0,1,0,0|2,0,1]=4 262 B8R1.1 CC1=CC=C(O1)CS CNP0002606.0 [0,0,0,1,0,0|2,0,1]=4 263 B8R1.1 CC=C1C=CC(=O)O1 CNP0289286.0 [0,0,0,1,0,0|0,0,2]=3 264 B8R1.1 CCC1=CC=C(O1)C CNP0251701.0 [0,0,0,1,0,0|1,0,1]=3 265 B8R1.1 CCC1=CC=C(S1)C CNP0003636.0 [0,0,0,1,0,0|1,1,1]=4 266 B8R1.1 CCC1=CCC(=O)O1 CNP0001516.0 [0,0,0,1,0,0|0,0,2]=3 267 B8R1.1 CCC1=CN=C(O1)C CNP0152176.0 [0,0,0,1,0,0|2,0,1]=4 268 B8R1.1 CCC1=NC=C(O1)C CNP0010332.0 [0,0,0,1,0,0|2,0,1]=4 269 B8R1.1 CC[C@@H]1C=CC(=O)O1 CNP0332158.1 [0,0,0,1,0,0|0,0,0]=1 270 B8R1.1 CC[C@@H]1CCC(=O)O1 CNP0276218.2 [0,0,0,1,0,0|0,0,2]=3 271 B8R1.1 CC[C@H]1CCC(=O)O1 CNP0276218.1 [0,0,0,1,0,0|0,0,2]=3 272 B8R1.1 CC[C@H]1COC(=O)C1 CNP0207946.1 [0,0,0,1,0,0|2,0,1]=4 273 B8R1.1 COC1C=CC(=O)C1 CNP0529998.0 [0,0,0,1,0,0|2,0,0]=3 274 B8R1.1 CSC1=CC=C(O1)C CNP0304917.0 [0,0,0,1,0,0|2,0,1]=4 275 B8R1.1 NC[C@H]1CCC(=O)O1 CNP0474294.1 [0,0,0,1,0,0|1,0,2]=4 276 B8R1.1 O=C1C=C[C@H](O1)CO CNP0279402.1 [0,0,0,1,0,0|1,0,0]=2 277 B8R1.1 O=C1CC[C@@H](O1)CBr CNP0033303.1 [0,0,0,1,0,0|1,0,2]=4 278 B8R1.1 O=C1CC[C@@H](O1)CO CNP0117294.2 [0,0,0,1,0,0|1,0,2]=4 279 B8R1.1 O=C1CC[C@H](O1)CO CNP0117294.1 [0,0,0,1,0,0|1,0,2]=4 280 B8R1.4 CC1=CC(=CC=N1)O CNP0308761.0 [0,0,0,1,0,0|2,0,1]=4 281 B8R1.4 CC1=CC(=O)C=CN1 CNP0513735.0 [0,0,0,1,0,0|2,0,1]=4 282 B8R1.4 CC1=CC(=O)C=CO1 CNP0179458.0 [0,0,0,1,0,0|2,0,1]=4 283 B8R1.4 CC1=CC=CC(=C1)O CNP0355586.0 [0,0,0,1,0,0|1,0,2]=4 284 B8R1.4 CC1=CCC[C@H](O1)C CNP0262118.1 [0,0,0,1,0,0|1,0,1]=3 285 B8R1.4 CC1CC=CC(=O)C1 CNP0522143.0 [0,0,0,1,0,0|1,0,0]=2 286 B8R1.4 CC1CCOC(=O)C1 CNP0282964.0 [0,0,0,1,0,0|2,0,1]=4 287 B8R1.4 C[C@@H]1CC=CC(=O)O1 CNP0386711.2 [0,0,0,1,0,0|0,0,0]=1 288 B8R1.4 C[C@@H]1CCCC(=O)C1 CNP0243495.2 [0,0,0,1,0,0|1,0,2]=4 289 B8R1.4 C[C@@H]1CCCC(=O)O1 CNP0340427.1 [0,0,0,1,0,0|0,0,2]=3 290 B8R1.4 C[C@H]1CC=CC(=O)O1 CNP0386711.1 [0,0,0,1,0,0|0,0,0]=1 291 B8R1.4 C[C@H]1CCCC(=O)C1 CNP0243495.1 [0,0,0,1,0,0|1,0,2]=4 292 B8R1.4 C[C@H]1CCCC(=O)O1 CNP0340427.2 [0,0,0,1,0,0|0,0,2]=3 293 B8R1.4 C[C@H]1CCNC(=S)O1 CNP0313391.1 [0,0,0,1,0,0|1,1,1]=4 294 B8R1.4 O=C1C=COC(=O)O1 CNP0127081.0 [0,0,0,1,0,0|2,0,1]=4 295 B8R1.7 CC(=O)C1=NCCC1 CNP0003511.0 [0,0,0,1,0,0|2,0,0]=3 296 B8R1.7 CC(=O)C1=NCCS1 CNP0314026.0 [0,0,0,1,0,0|3,0,0]=4 297 B8R1.7 CC(=O)C1CCCN1 CNP0077115.0 [0,0,0,1,0,0|2,0,1]=4 298 B8R1.7 CC(=O)N1C=CCC1 CNP0356664.0 [0,0,0,1,0,0|2,0,1]=4 299 B8R1.7 NC(=O)N1CCCC1 CNP0254929.0 [0,0,0,1,0,0|2,0,1]=4 300 B8R1.7 NC(=O)[C@@H]1CCCN1 CNP0120914.1 [0,0,0,1,0,0|2,0,1]=4 301 B8R1.7 O=C(O)C1=CC=CN1 CNP0331002.0 [0,0,0,1,0,0|1,0,2]=4 302 B8R1.7 O=C(O)C1=CC=CO1 CNP0264313.0 [0,0,0,1,0,0|1,0,2]=4 303 B8R1.7 O=C(O)C1=CN=CN1 CNP0581478.0 [0,0,0,1,0,0|2,0,1]=4 304 B8R1.7 O=C(O)C1=CNC=C1 CNP0207521.0 [0,0,0,1,0,0|1,0,2]=4 305 B8R1.7 O=C(O)C1=CNC=N1 CNP0458584.0 [0,0,0,1,0,0|2,0,1]=4 306 B8R1.7 O=C(O)C1=COC=C1 CNP0199311.0 [0,0,0,1,0,0|1,0,2]=4 307 B8R1.7 O=C(O)C1=CON=C1 CNP0604481.0 [0,0,0,1,0,0|2,0,1]=4 308 B8R1.7 O=C(O)C1=CSC=C1 CNP0476270.0 [0,0,0,1,0,0|1,0,2]=4 309 B8R1.7 O=C(O)C1=CSC=N1 CNP0506854.0 [0,0,0,1,0,0|2,0,1]=4 310 B8R1.7 O=C(O)C1=CSN=N1 CNP0448076.0 [0,0,0,1,0,0|3,0,0]=4 311 B8R1.7 O=C(O)C1=NCCC1 CNP0021263.0 [0,0,0,1,0,0|1,0,0]=2 312 B8R1.7 O=C(O)C1=NNC=C1 CNP0261181.0 [0,0,0,1,0,0|2,0,1]=4 313 B8R1.7 O=C(O)C1C=CCN1 CNP0207139.0 [0,0,0,1,0,0|1,0,2]=4 314 B8R1.7 O=C(O)C1CCCC1 CNP0135626.0 [0,0,0,1,0,0|0,0,2]=3 315 B8R1.7 O=C(O)C1CCCS1 CNP0033094.0 [0,0,0,1,0,0|1,0,1]=3 316 B8R1.7 O=C(O)C1CCSS1 CNP0533688.0 [0,0,0,1,0,0|2,0,1]=4 317 B8R1.7 O=C(O)[C@@H]1C=CCC1 CNP0310576.1 [0,0,0,1,0,0|0,0,2]=3 318 B8R1.7 O=C(O)[C@@H]1CCC=N1 CNP0252420.1 [0,0,0,1,0,0|1,0,2]=4 319 B8R1.7 O=C(O)[C@@H]1CCCN1 CNP0219104.1 [0,0,0,1,0,0|1,0,1]=3 320 B8R1.7 O=C(O)[C@@H]1CCNC1 CNP0278075.2 [0,0,0,1,0,0|1,0,2]=4 321 B8R1.7 O=C(O)[C@@H]1CSCN1 CNP0229322.3 [0,0,0,1,0,0|2,0,1]=4 322 B8R1.7 O=C(O)[C@@H]1NCCS1 CNP0319074.2 [0,0,0,1,0,0|2,0,1]=4 323 B8R1.7 O=C(O)[C@H]1CCCN1 CNP0219104.2 [0,0,0,1,0,0|1,0,1]=3 324 B8R1.7 O=C(O)[C@H]1CCCO1 CNP0573832.1 [0,0,0,1,0,0|1,0,1]=3 325 B8R1.7 O=C(O)[C@H]1CCNC1 CNP0278075.1 [0,0,0,1,0,0|1,0,2]=4 326 B8R1.7 O=C(O)[C@H]1CSCN1 CNP0229322.2 [0,0,0,1,0,0|2,0,1]=4 327 B8R1.7 O=C(O)[C@H]1NCCS1 CNP0319074.1 [0,0,0,1,0,0|2,0,1]=4 328 B8R1.22 O=C1CC=CCCC1 CNP0354385.0 [0,0,0,1,0,0|1,0,2]=4 329 B8R1.22 O=C1CCCCCC1 CNP0486939.0 [0,0,0,1,0,0|1,0,2]=4 330 B8R1.22 O=C1CCCCCN1 CNP0157959.0 [0,0,0,1,0,0|1,0,2]=4 331 B8R1.22 O=C1CCCCCO1 CNP0358428.0 [0,0,0,1,0,0|0,0,2]=3 332 B8R1.22 O=C1NCCCCN1 CNP0433632.0 [0,0,0,1,0,0|2,0,1]=4 333 B8R1.22 OC1=NCCCCC1 CNP0523769.0 [0,0,0,1,0,0|1,0,2]=4 334 B8R1.31 N[C@H]1CO[C@H]1C(=O)O CNP0307308.1 [0,0,0,1,0,0|2,0,1]=4 335 B8R1.43 CCC1OC1C(=O)C CNP0555842.0 [0,0,0,1,0,0|2,0,1]=4 336 B8R1.72 C[C@@]1(C=CCCC1)O CNP0241347.2 [0,0,0,1,0,0|1,0,1]=3 337 B8R1.72 C[C@]1(C=CCCC1)O CNP0241347.1 [0,0,0,1,0,0|1,0,1]=3 338 B5R0.1 C#CCC(=O)O CNP0049385.0 [2,0,0,0,0,0|0,0,2]=4 339 B5R0.1 C=C(C)C=CC CNP0348667.0 [2,0,0,0,0,0|2,0,0]=4 340 B5R0.1 C=C(C)CCC CNP0179329.0 [2,0,0,0,0,0|2,0,0]=4 341 B5R0.1 C=C(O)CCC CNP0003382.0 [2,0,0,0,0,0|1,0,0]=3 342 B5R0.1 C=CCC(=O)O CNP0172155.0 [2,0,0,0,0,0|0,0,2]=4 343 B5R0.1 CC(=O)CCO CNP0251527.0 [2,0,0,0,0,0|2,0,0]=4 344 B5R0.1 CC(=O)CCS CNP0404753.0 [2,0,0,0,0,0|2,0,0]=4 345 B5R0.1 CC=CC(=N)S CNP0609462.0 [2,0,0,0,0,0|1,1,0]=4 346 B5R0.1 CC=CC(=O)C CNP0158055.0 [2,0,0,0,0,0|1,0,0]=3 347 B5R0.1 CC=CC(=O)Cl CNP0018733.0 [2,0,0,0,0,0|1,0,0]=3 348 B5R0.1 CC=CC(=O)N CNP0376163.0 [2,0,0,0,0,0|1,0,0]=3 349 B5R0.1 CC=CC(=O)O CNP0379669.0 [2,0,0,0,0,0|0,0,0]=2 350 B5R0.1 CC=CC(=O)S CNP0128183.0 [2,0,0,0,0,0|0,1,0]=3 351 B5R0.1 CC=CC(=S)N CNP0219494.0 [2,0,0,0,0,0|1,1,0]=4 352 B5R0.1 CC=CC(C)O CNP0150168.0 [2,0,0,0,0,0|1,0,1]=4 353 B5R0.1 CC=CS(=S)O CNP0498878.0 [2,0,0,0,0,0|1,1,0]=4 354 B5R0.1 CCC=C(C)C CNP0331653.0 [2,0,0,0,0,0|2,0,0]=4 355 B5R0.1 CCC=C(C)O CNP0225775.0 [2,0,0,0,0,0|1,0,0]=3 356 B5R0.1 CCCC(=O)C CNP0169448.0 [2,0,0,0,0,0|1,0,0]=3 357 B5R0.1 CCCC(=O)N CNP0115101.0 [2,0,0,0,0,0|1,0,0]=3 358 B5R0.1 CCCC(=O)O CNP0259447.0 [2,0,0,0,0,0|0,0,0]=2 359 B5R0.1 CCCC(=O)[O-] CNP0521413.0 [2,0,0,0,0,0|0,0,1]=3 360 B5R0.1 CCCC(O)O CNP0076336.0 [2,0,0,0,0,0|0,0,2]=4 361 B5R0.1 CCCS(=S)O CNP0558357.0 [2,0,0,0,0,0|1,1,0]=4 362 B5R0.1 CCC[C@@H](C)O CNP0287976.1 [2,0,0,0,0,0|1,0,1]=4 363 B5R0.1 CCC[C@H](C)O CNP0287976.2 [2,0,0,0,0,0|1,0,1]=4 364 B5R0.1 CCNC(=O)C CNP0260078.0 [2,0,0,0,0,0|2,0,0]=4 365 B5R0.1 CCOC(=O)C CNP0322418.0 [2,0,0,0,0,0|2,0,0]=4 366 B5R0.1 CCOC(=O)N CNP0336700.0 [2,0,0,0,0,0|2,0,0]=4 367 B5R0.1 CCOC(=O)O CNP0166515.0 [2,0,0,0,0,0|1,0,0]=3 368 B5R0.1 CCO[13C](=O)C CNP0577601.0 [2,0,0,0,0,0|2,0,0]=4 369 B5R0.1 CCSC(=O)C CNP0274861.0 [2,0,0,0,0,0|2,0,0]=4 370 B5R0.1 CNCC(=O)O CNP0307073.0 [2,0,0,0,0,0|1,0,0]=3 371 B5R0.1 CNCC(=O)O CNP0563704.0 [2,0,0,0,0,0|1,0,0]=3 372 B5R0.1 CNCC(=O)[O-] CNP0565920.0 [2,0,0,0,0,0|1,0,1]=4 373 B5R0.1 COCC(=O)C CNP0581024.0 [2,0,0,0,0,0|2,0,0]=4 374 B5R0.1 COCC(=O)O CNP0343219.0 [2,0,0,0,0,0|1,0,0]=3 375 B5R0.1 CSCC(=O)C CNP0002513.0 [2,0,0,0,0,0|2,0,0]=4 376 B5R0.1 CSCC(=O)O CNP0447839.0 [2,0,0,0,0,0|1,0,0]=3 377 B5R0.1 C[Se]CC(=O)O CNP0526449.0 [2,0,0,0,0,0|1,0,0]=3 378 B5R0.1 C[Te]CC(=O)O CNP0537189.0 [2,0,0,0,0,0|1,0,0]=3 379 B5R0.1 N#CCC(=O)O CNP0269115.0 [2,0,0,0,0,0|1,0,1]=4 380 B5R0.1 NC(=O)C=CI CNP0204270.0 [2,0,0,0,0,0|2,0,0]=4 381 B5R0.1 NCCC(=O)O CNP0226336.0 [2,0,0,0,0,0|1,0,0]=3 382 B5R0.1 NCCP(=O)O CNP0498602.0 [2,0,0,0,0,0|2,0,0]=4 383 B5R0.1 NCC[S@@](=O)O CNP0211926.2 [2,0,0,0,0,0|2,0,0]=4 384 B5R0.1 NCC[S@](=O)O CNP0211926.1 [2,0,0,0,0,0|2,0,0]=4 385 B5R0.1 NOCC(=O)O CNP0293826.0 [2,0,0,0,0,0|2,0,0]=4 386 B5R0.1 O=C(O)C=CBr CNP0310992.0 [2,0,0,0,0,0|1,0,0]=3 387 B5R0.1 O=C(O)C=CCl CNP0293481.0 [2,0,0,0,0,0|1,0,0]=3 388 B5R0.1 O=C(O)C=CI CNP0239582.0 [2,0,0,0,0,0|1,0,0]=3 389 B5R0.1 O=C(O)C=NO CNP0286362.0 [2,0,0,0,0,0|2,0,0]=4 390 B5R0.1 O=C(O)CCO CNP0228379.0 [2,0,0,0,0,0|1,0,0]=3 391 B5R0.1 O=C(O)CCS CNP0097385.0 [2,0,0,0,0,0|1,0,0]=3 392 B5R0.1 O=C(O)CNO CNP0316873.0 [2,0,0,0,0,0|2,0,0]=4 393 B5R0.1 O=CCC(=O)O CNP0149091.0 [2,0,0,0,0,0|1,0,1]=4 394 B5R0.1 [C-]#[N+]CC(=O)O CNP0534475.0 [2,0,0,0,0,0|1,0,1]=4 395 B5R0.2 C=CC=CC=O CNP0022566.0 [2,0,0,0,0,0|0,0,2]=4 396 B5R0.2 C=CC=CCC CNP0495438.0 [2,0,0,0,0,0|0,0,1]=3 397 B5R0.2 C=CCCCC CNP0264947.0 [2,0,0,0,0,0|0,0,1]=3 398 B5R0.2 C=CCCCO CNP0003396.0 [2,0,0,0,0,0|1,0,1]=4 399 B5R0.2 C=CCSCC CNP0261096.0 [2,0,0,0,0,0|1,0,1]=4 400 B5R0.2 C=CSSCC CNP0003136.0 [2,0,0,0,0,0|2,0,0]=4 401 B5R0.2 CC=CC=CC CNP0611428.0 [2,0,0,0,0,0|1,0,1]=4 402 B5R0.2 CC=CCC=O CNP0167409.0 [2,0,0,0,0,0|0,0,2]=4 403 B5R0.2 CC=CCCC CNP0419577.0 [2,0,0,0,0,0|0,0,1]=3 404 B5R0.2 CC=CCCO CNP0253382.0 [2,0,0,0,0,0|1,0,1]=4 405 B5R0.2 CCC=CC#N CNP0080058.0 [2,0,0,0,0,0|1,0,1]=4 406 B5R0.2 CCC=CC=O CNP0328747.0 [2,0,0,0,0,0|0,0,0]=2 407 B5R0.2 CCC=CCO CNP0239009.0 [2,0,0,0,0,0|0,0,1]=3 408 B5R0.2 CCC=CSC CNP0068372.0 [2,0,0,0,0,0|2,0,0]=4 409 B5R0.2 CCC=CSO CNP0458289.0 [2,0,0,0,0,0|1,0,0]=3 410 B5R0.2 CCCC=CO CNP0247153.0 [2,0,0,0,0,0|0,0,0]=2 411 B5R0.2 CCCC=NO CNP0071145.0 [2,0,0,0,0,0|1,0,0]=3 412 B5R0.2 CCCCC=O CNP0361186.0 [2,0,0,0,0,0|0,0,1]=3 413 B5R0.2 CCCCCO CNP0244882.0 [2,0,0,0,0,0|0,0,2]=4 414 B5R0.2 CCCC[S+]=O CNP0521772.0 [2,0,0,0,0,0|1,0,1]=4 415 B5R0.2 CCCOC=O CNP0326097.0 [2,0,0,0,0,0|1,0,0]=3 416 B5R0.2 CSCCC=O CNP0136743.0 [2,0,0,0,0,0|1,0,1]=4 417 B5R0.2 NCCCC=O CNP0359033.0 [2,0,0,0,0,0|1,0,1]=4 418 B5R0.2 O=CC=CCO CNP0112016.0 [2,0,0,0,0,0|1,0,0]=3 419 B5R0.2 OCC=CCO CNP0296138.0 [2,0,0,0,0,0|1,0,1]=4 420 B7R0.2 CC(CO)CC(=O)O CNP0350905.0 [1,1,0,0,0,0|1,0,1]=4 421 B7R0.2 CC=C(C)CC(=O)O CNP0178168.0 [1,1,0,0,0,0|0,0,2]=4 422 B7R0.2 CCC(=CC(=O)C)C CNP0380051.0 [1,1,0,0,0,0|1,0,0]=3 423 B7R0.2 CCC(=CC(=O)O)C CNP0340018.0 [1,1,0,0,0,0|0,0,0]=2 424 B7R0.2 CCC(=O)C=C(C)C CNP0540144.0 [1,1,0,0,0,0|2,0,0]=4 425 B7R0.2 CCC(=O)CC(=O)O CNP0066606.0 [1,1,0,0,0,0|0,0,1]=3 426 B7R0.2 CCC(=O)NC(=O)C CNP0168988.0 [1,1,0,0,0,0|2,0,0]=4 427 B7R0.2 CCC(C)CC(=O)C CNP0555982.0 [1,1,0,0,0,0|1,0,1]=4 428 B7R0.2 CC[C@@H](C)CC(=O)O CNP0258429.2 [1,1,0,0,0,0|0,0,1]=3 429 B7R0.2 CC[C@@H](C)OC(=O)C CNP0076550.2 [1,1,0,0,0,0|2,0,0]=4 430 B7R0.2 CC[C@H](C)CC(=O)Cl CNP0111918.1 [1,1,0,0,0,0|1,0,1]=4 431 B7R0.2 CC[C@H](C)CC(=O)N CNP0105662.1 [1,1,0,0,0,0|1,0,1]=4 432 B7R0.2 CC[C@H](C)CC(=O)O CNP0258429.1 [1,1,0,0,0,0|0,0,1]=3 433 B7R0.2 CC[C@H](C)OC(=O)C CNP0076550.1 [1,1,0,0,0,0|2,0,0]=4 434 B7R0.2 CC[C@H](O)CC(=O)N CNP0018371.1 [1,1,0,0,0,0|1,0,1]=4 435 B7R0.2 CC[C@H](O)CC(=O)O CNP0308552.1 [1,1,0,0,0,0|0,0,1]=3 436 B7R0.2 CNC(=O)NC(=O)O CNP0113940.0 [1,1,0,0,0,0|2,0,0]=4 437 B7R0.2 COC(=CC(=O)C)C CNP0350005.0 [1,1,0,0,0,0|2,0,0]=4 438 B7R0.2 COC(=O)CC(=O)O CNP0461449.0 [1,1,0,0,0,0|1,0,1]=4 439 B7R0.2 NC[C@@H](N)CC(=O)O CNP0190172.1 [1,1,0,0,0,0|1,0,1]=4 440 B7R0.2 NC[C@@H](O)CC(=O)O CNP0335183.1 [1,1,0,0,0,0|1,0,1]=4 441 B7R0.2 NC[C@H](N)CC(=O)O CNP0190172.2 [1,1,0,0,0,0|1,0,1]=4 442 B7R0.2 NC[C@H](O)CC(=O)O CNP0335183.2 [1,1,0,0,0,0|1,0,1]=4 443 B7R0.2 N[C@@H](CS)CC(=O)O CNP0534853.1 [1,1,0,0,0,0|1,0,1]=4 444 B7R0.2 N[C@H](CO)CC(=O)O CNP0415784.1 [1,1,0,0,0,0|1,0,1]=4 445 B7R0.2 O=C(O)CC(=O)CBr CNP0292204.0 [1,1,0,0,0,0|1,0,1]=4 446 B7R0.2 O=C(O)C[C@H](O)CO CNP0269358.1 [1,1,0,0,0,0|1,0,1]=4 447 B7R0.3 C=C(C=O)CCCC CNP0555185.0 [1,1,0,0,0,0|1,0,1]=4 448 B7R0.3 C=CC(=CCCC)C CNP0605951.0 [1,1,0,0,0,0|2,0,0]=4 449 B7R0.3 C=CC(=O)CCCC CNP0083902.0 [1,1,0,0,0,0|1,0,1]=4 450 B7R0.3 CCC=CC(=O)CC CNP0166330.0 [1,1,0,0,0,0|1,0,0]=3 451 B7R0.3 CCCC=C(C)CC CNP0263169.0 [1,1,0,0,0,0|2,0,0]=4 452 B7R0.3 CCCCC(=O)CC CNP0286726.0 [1,1,0,0,0,0|1,0,1]=4 453 B7R0.3 CCCCC(=O)OC CNP0184855.0 [1,1,0,0,0,0|0,0,1]=3 454 B7R0.3 CCCOC(=O)CC CNP0296678.0 [1,1,0,0,0,0|2,0,0]=4 455 B7R0.3 CCOCC(=O)OC CNP0306071.0 [1,1,0,0,0,0|1,0,1]=4 456 B7R0.3 CCOCC(=O)OCl CNP0310793.0 [1,1,0,0,0,0|1,0,1]=4 457 B7R0.3 CNC(=O)C=CSC CNP0255894.0 [1,1,0,0,0,0|2,0,0]=4 458 B7R0.3 COC(=O)C=CC#N CNP0257494.0 [1,1,0,0,0,0|1,0,1]=4 459 B7R0.3 COC(=O)CCSC CNP0302353.0 [1,1,0,0,0,0|1,0,1]=4 460 B7R0.3 COC=CC(=O)OC CNP0398712.0 [1,1,0,0,0,0|1,0,0]=3 461 B7R0.3 COCC=C(C)CO CNP0311126.0 [1,1,0,0,0,0|2,0,0]=4 462 B7R0.5 C=C(CCN)C(=O)O CNP0291146.0 [1,1,0,0,0,0|1,0,0]=3 463 B7R0.5 C=C(CCO)C(=O)O CNP0185726.0 [1,1,0,0,0,0|1,0,0]=3 464 B7R0.5 C=C(O)C(=O)OCC CNP0311886.0 [1,1,0,0,0,0|2,0,0]=4 465 B7R0.5 C=C=CC(=O)C(=O)O CNP0083854.0 [1,1,0,0,0,0|0,0,2]=4 466 B7R0.5 C=CC=C(O)C(=O)O CNP0566102.0 [1,1,0,0,0,0|0,0,2]=4 467 B7R0.5 CC(=CCO)C(=O)O CNP0200165.0 [1,1,0,0,0,0|1,0,0]=3 468 B7R0.5 CC(=O)C(=O)CCO CNP0018467.0 [1,1,0,0,0,0|2,0,0]=4 469 B7R0.5 CC=CC(=O)C(=O)O CNP0553247.0 [1,1,0,0,0,0|0,0,1]=3 470 B7R0.5 CC=CC(C)C(=O)O CNP0085321.0 [1,1,0,0,0,0|0,0,2]=4 471 B7R0.5 CCC=C(C)C(=O)O CNP0133224.0 [1,1,0,0,0,0|0,0,0]=2 472 B7R0.5 CCCC(=O)C(=O)C CNP0318298.0 [1,1,0,0,0,0|1,0,0]=3 473 B7R0.5 CCCC(=O)C(=O)N CNP0302137.0 [1,1,0,0,0,0|1,0,0]=3 474 B7R0.5 CCCC(=O)C(=O)O CNP0186110.0 [1,1,0,0,0,0|0,0,0]=2 475 B7R0.5 CCCC(=O)[C@@H](C)O CNP0229678.1 [1,1,0,0,0,0|1,0,1]=4 476 B7R0.5 CCCC(=O)[C@H](C)O CNP0229678.2 [1,1,0,0,0,0|1,0,1]=4 477 B7R0.5 CCCC(C)C(=O)C CNP0145602.0 [1,1,0,0,0,0|1,0,1]=4 478 B7R0.5 CCC[C@@H](C)C(=O)Cl CNP0181182.1 [1,1,0,0,0,0|1,0,1]=4 479 B7R0.5 CCC[C@@H](C)C(=O)N CNP0263004.1 [1,1,0,0,0,0|1,0,1]=4 480 B7R0.5 CCC[C@@H](C)C(=O)O CNP0218134.2 [1,1,0,0,0,0|0,0,1]=3 481 B7R0.5 CCC[C@@H](N)C(=O)O CNP0198245.2 [1,1,0,0,0,0|0,0,1]=3 482 B7R0.5 CCC[C@@H](O)C(=O)C CNP0171062.1 [1,1,0,0,0,0|1,0,1]=4 483 B7R0.5 CCC[C@H](C)C(=O)Cl CNP0181182.2 [1,1,0,0,0,0|1,0,1]=4 484 B7R0.5 CCC[C@H](C)C(=O)N CNP0263004.2 [1,1,0,0,0,0|1,0,1]=4 485 B7R0.5 CCC[C@H](C)C(=O)O CNP0218134.1 [1,1,0,0,0,0|0,0,1]=3 486 B7R0.5 CCC[C@H](N)C(=O)N CNP0559533.1 [1,1,0,0,0,0|1,0,1]=4 487 B7R0.5 CCC[C@H](N)C(=O)O CNP0198245.1 [1,1,0,0,0,0|0,0,1]=3 488 B7R0.5 CCC[C@H](O)C(=O)O CNP0107771.1 [1,1,0,0,0,0|0,0,1]=3 489 B7R0.5 CCOC(=O)C(=O)C CNP0125982.0 [1,1,0,0,0,0|2,0,0]=4 490 B7R0.5 CNC[C@@H](N)C(=O)O CNP0237559.2 [1,1,0,0,0,0|1,0,1]=4 491 B7R0.5 CNC[C@H](N)C(=O)O CNP0237559.1 [1,1,0,0,0,0|1,0,1]=4 492 B7R0.5 CSC[C@@H](N)C(=O)O CNP0391530.2 [1,1,0,0,0,0|1,0,1]=4 493 B7R0.5 CSC[C@H](N)C(=O)O CNP0391530.1 [1,1,0,0,0,0|1,0,1]=4 494 B7R0.5 C[C@@H](CCN)C(=O)O CNP0117278.1 [1,1,0,0,0,0|1,0,1]=4 495 B7R0.5 C[C@H](CCN)C(=O)O CNP0117278.2 [1,1,0,0,0,0|1,0,1]=4 496 B7R0.5 C[Se]C[C@H](N)C(=O)O CNP0420303.1 [1,1,0,0,0,0|1,0,1]=4 497 B7R0.5 NCC[C@@H](N)C(=O)O CNP0283118.2 [1,1,0,0,0,0|1,0,1]=4 498 B7R0.5 NCC[C@H](N)C(=O)O CNP0283118.1 [1,1,0,0,0,0|1,0,1]=4 499 B7R0.5 N[C@@H](CCO)C(=O)O CNP0287745.2 [1,1,0,0,0,0|1,0,1]=4 500 B7R0.5 N[C@@H](CCS)C(=O)O CNP0193002.1 [1,1,0,0,0,0|1,0,1]=4 501 B7R0.5 N[C@@H](CC[SeH])C(=O)O CNP0083667.1 [1,1,0,0,0,0|1,0,1]=4 502 B7R0.5 N[C@H](CCO)C(=O)O CNP0287745.3 [1,1,0,0,0,0|1,0,1]=4 503 B7R0.5 N[C@H](CCS)C(=O)O CNP0193002.2 [1,1,0,0,0,0|1,0,1]=4 504 B7R0.5 O=C(O)C(=O)CCO CNP0361332.0 [1,1,0,0,0,0|1,0,0]=3 505 B7R0.5 O=C(O)C(O)CCO CNP0218005.0 [1,1,0,0,0,0|1,0,1]=4 506 B7R0.5 O=CCC(=O)C(=O)O CNP0065471.0 [1,1,0,0,0,0|1,0,1]=4 507 B7R0.6 CC(=CCC(=O)O)C CNP0178388.0 [1,1,0,0,0,0|0,0,2]=4 508 B7R0.6 CC(=O)C=CC(=O)C CNP0303603.0 [1,1,0,0,0,0|1,0,1]=4 509 B7R0.6 CC(=O)C=CC(=O)O CNP0237218.0 [1,1,0,0,0,0|0,0,1]=3 510 B7R0.6 CC(=O)C=CC(C)C CNP0282647.0 [1,1,0,0,0,0|1,0,0]=3 511 B7R0.6 CC(=O)CCC(=O)O CNP0267906.0 [1,1,0,0,0,0|0,0,2]=4 512 B7R0.6 CC(=O)CCC(C)C CNP0109911.0 [1,1,0,0,0,0|1,0,1]=4 513 B7R0.6 CC(=O)NCC(C)C CNP0330824.0 [1,1,0,0,0,0|2,0,0]=4 514 B7R0.6 CC(=O)OCC(C)C CNP0233943.0 [1,1,0,0,0,0|2,0,0]=4 515 B7R0.6 CC(C)C=CC(=O)Cl CNP0373188.0 [1,1,0,0,0,0|1,0,0]=3 516 B7R0.6 CC(C)C=CC(=O)O CNP0205254.0 [1,1,0,0,0,0|0,0,0]=2 517 B7R0.6 CC(C)CCC(=O)Cl CNP0308408.0 [1,1,0,0,0,0|1,0,1]=4 518 B7R0.6 CC(C)CCC(=O)N CNP0148296.0 [1,1,0,0,0,0|1,0,1]=4 519 B7R0.6 CC(C)CCC(=O)O CNP0414918.0 [1,1,0,0,0,0|0,0,1]=3 520 B7R0.6 CC(O)C=CC(C)O CNP0301514.0 [1,1,0,0,0,0|1,0,1]=4 521 B7R0.6 CS(C)CCC(=O)O CNP0168459.0 [1,1,0,0,0,0|1,0,1]=4 522 B7R0.6 C[C@H](O)CCC(=O)O CNP0154959.1 [1,1,0,0,0,0|0,0,1]=3 523 B7R0.6 C[S+](C)CCC(=O)O CNP0349807.0 [1,1,0,0,0,0|1,0,1]=4 524 B7R0.6 C[S+](C)CCC(=O)O CNP0550706.0 [1,1,0,0,0,0|1,0,1]=4 525 B7R0.6 C[S@+]([O-])CCC(=O)O CNP0497394.1 [1,1,0,0,0,0|1,0,1]=4 526 B7R0.6 C[S](C)CCC(=O)O CNP0603322.0 [1,1,0,0,0,0|1,0,1]=4 527 B7R0.6 N=C(N)C=CC(=O)O CNP0421555.0 [1,1,0,0,0,0|1,0,1]=4 528 B7R0.6 N=C(O)C=CC(=O)O CNP0546682.0 [1,1,0,0,0,0|1,0,1]=4 529 B7R0.6 NC(=O)C=CC(=O)O CNP0299428.0 [1,1,0,0,0,0|1,0,1]=4 530 B7R0.6 O=C(O)C=CC(=O)O CNP0289193.0 [1,1,0,0,0,0|1,0,1]=4 531 B7R0.6 O=C([O-])C=CC(=O)O CNP0594402.0 [1,1,0,0,0,0|1,0,1]=4 532 B7R0.8 CCCCP(=O)(O)O CNP0469610.0 [1,1,0,0,0,0|1,0,1]=4 533 B7R0.8 CCCCS(=O)(=S)O CNP0594789.0 [1,1,0,0,0,0|1,0,1]=4 534 B7R0.8 CCCOS(=O)(=S)O CNP0528794.0 [1,1,0,0,0,0|2,0,0]=4 535 B7R0.8 CCCSS(=O)(=O)O CNP0002442.0 [1,1,0,0,0,0|2,0,0]=4 536 B7R0.1 C#CC=CCCCC CNP0076122.0 [1,1,0,0,0,0|1,0,1]=4 537 B7R0.1 C=CC=CC=CCC CNP0261432.0 [1,1,0,0,0,0|1,0,1]=4 538 B7R0.1 C=CC=CCC=CC CNP0290357.0 [1,1,0,0,0,0|1,0,1]=4 539 B7R0.1 C=CC=CCCC=C CNP0365770.0 [1,1,0,0,0,0|1,0,1]=4 540 B7R0.1 C=CC=CCCCC CNP0084214.0 [1,1,0,0,0,0|1,0,0]=3 541 B7R0.1 CC=CC=CCCC CNP0275494.0 [1,1,0,0,0,0|1,0,0]=3 542 B7R0.1 CC=CCC=CCO CNP0168622.0 [1,1,0,0,0,0|0,0,2]=4 543 B7R0.1 CC=CCCCCC CNP0199237.0 [1,1,0,0,0,0|1,0,1]=4 544 B7R0.1 CC=CCSCCC CNP0536250.0 [1,1,0,0,0,0|1,0,1]=4 545 B7R0.1 CC=CSSCCC CNP0421889.0 [1,1,0,0,0,0|2,0,0]=4 546 B7R0.1 CCC#CC=CCO CNP0417978.0 [1,1,0,0,0,0|0,0,2]=4 547 B7R0.1 CCC=CC=CC=O CNP0276667.0 [1,1,0,0,0,0|0,0,1]=3 548 B7R0.1 CCC=CC=CCC CNP0546897.0 [1,1,0,0,0,0|1,0,1]=4 549 B7R0.1 CCC=CC=CCO CNP0332799.0 [1,1,0,0,0,0|0,0,1]=3 550 B7R0.1 CCC=CCCC=O CNP0265888.0 [1,1,0,0,0,0|0,0,2]=4 551 B7R0.1 CCC=CCCCC CNP0084702.0 [1,1,0,0,0,0|1,0,1]=4 552 B7R0.1 CCC=CCCCO CNP0003503.0 [1,1,0,0,0,0|1,0,1]=4 553 B7R0.1 CCCC=CC=CO CNP0524724.0 [1,1,0,0,0,0|0,0,0]=2 554 B7R0.1 CCCC=CCC=O CNP0201799.0 [1,1,0,0,0,0|0,0,0]=2 555 B7R0.1 CCCC=CCCC CNP0541880.0 [1,1,0,0,0,0|1,0,1]=4 556 B7R0.1 CCCC=CCCO CNP0287313.0 [1,1,0,0,0,0|0,0,1]=3 557 B7R0.1 CCCCC=CC=O CNP0210810.0 [1,1,0,0,0,0|0,0,0]=2 558 B7R0.1 CCCCC=CCO CNP0191159.0 [1,1,0,0,0,0|0,0,1]=3 559 B7R0.1 CCCCCCC=O CNP0243745.0 [1,1,0,0,0,0|0,0,2]=4 560 B7R0.1 CCCCCOC=O CNP0294368.0 [1,1,0,0,0,0|0,0,2]=4 561 B7R0.1 CCCCN=CC=S CNP0423600.0 [1,1,0,0,0,0|0,1,1]=4 562 B7R0.1 CCCC[N+]=CC=S CNP0578229.0 [1,1,0,0,0,0|0,1,1]=4 563 B7R0.1 CSCCCC=NO CNP0610383.0 [1,1,0,0,0,0|1,0,1]=4 564 B7R0.1 O=CC=CC=CCO CNP0296757.0 [1,1,0,0,0,0|0,0,2]=4 565 B7R0.7 CC(=CC=O)CCO CNP0162817.0 [1,1,0,0,0,0|1,0,0]=3 566 B7R0.7 CC=CC(=CC=O)C CNP0360026.0 [1,1,0,0,0,0|0,0,2]=4 567 B7R0.7 CC=CC(=O)CCC CNP0003369.0 [1,1,0,0,0,0|1,0,0]=3 568 B7R0.7 CC=CC(=O)OCC CNP0251499.0 [1,1,0,0,0,0|2,0,0]=4 569 B7R0.7 CC=CC(C)CCC CNP0084706.0 [1,1,0,0,0,0|1,0,1]=4 570 B7R0.7 CC=CC(O)CCC CNP0324750.0 [1,1,0,0,0,0|1,0,1]=4 571 B7R0.7 CCC=C(C)CCC CNP0345457.0 [1,1,0,0,0,0|1,0,1]=4 572 B7R0.7 CCCC(C)CC=O CNP0405888.0 [1,1,0,0,0,0|0,0,2]=4 573 B7R0.7 CCOC(=O)C=CBr CNP0103315.0 [1,1,0,0,0,0|2,0,0]=4 574 B7R0.7 CCOC(=O)C=CCl CNP0155772.0 [1,1,0,0,0,0|2,0,0]=4 575 B7R0.7 CCOC(=O)C=CI CNP0229422.0 [1,1,0,0,0,0|2,0,0]=4 576 B7R0.7 CSCC(=O)C=NO CNP0090357.0 [1,1,0,0,0,0|2,0,0]=4 577 B9R0.4 CCCCC(=CC(=O)O)Br CNP0238887.0 [0,2,0,0,0,0|0,0,0]=2 578 B9R0.4 CCCCC(=CC(=O)O)C CNP0381508.0 [0,2,0,0,0,0|0,0,0]=2 579 B9R0.4 CCCCC(=O)C=C(C)C CNP0611962.0 [0,2,0,0,0,0|2,0,0]=4 580 B9R0.4 CCCCC(=O)CC(=O)C CNP0579463.0 [0,2,0,0,0,0|1,0,1]=4 581 B9R0.4 CCCC[C@@H](N)CC(=O)O CNP0106474.1 [0,2,0,0,0,0|0,0,2]=4 582 B9R0.4 CCCC[C@H](N)CC(=O)O CNP0106474.2 [0,2,0,0,0,0|0,0,2]=4 583 B9R0.4 CCCOC(=O)CC(=O)O CNP0488661.0 [0,2,0,0,0,0|0,0,1]=3 584 B9R0.4 CCCOC(=O)NC(=O)N CNP0233110.0 [0,2,0,0,0,0|2,0,0]=4 585 B9R0.4 CSCC[C@H](N)CC(=O)O CNP0241476.1 [0,2,0,0,0,0|0,0,2]=4 586 B9R0.4 NCCC[C@@H](N)CC(=O)O CNP0108275.1 [0,2,0,0,0,0|0,0,2]=4 587 B9R0.4 NCCC[C@H](N)CC(=O)O CNP0108275.2 [0,2,0,0,0,0|0,0,2]=4 588 B9R0.6 C=C(CCC)[C@H](N)C(=O)O CNP0264403.1 [0,2,0,0,0,0|0,0,1]=3 589 B9R0.6 CCC[C@@H](C)[C@H](N)C(=O)O CNP0381888.1 [0,2,0,0,0,0|0,0,2]=4 590 B9R0.6 CCC[C@H](C)[C@H](N)C(=O)O CNP0381888.2 [0,2,0,0,0,0|0,0,2]=4 591 B9R0.14 COC(=CC(=O)O)CCO CNP0423420.0 [0,2,0,0,0,0|1,0,0]=3 592 B9R0.23 CC[C@H](C)[C@H](N)CC(=O)O CNP0415773.1 [0,2,0,0,0,0|0,0,2]=4 593 B9R0.23 COC(=O)C(=CC(=O)O)C CNP0215692.0 [0,2,0,0,0,0|1,0,1]=4 594 B9R0.34 CCC=C(C)C=C(C)CO CNP0110428.0 [0,2,0,0,0,0|1,0,1]=4 595 B9R0.34 CCC[C@@H](O)CC(=O)OC CNP0044478.2 [0,2,0,0,0,0|0,0,2]=4 596 B9R0.34 CCC[C@H](O)CC(=O)OC CNP0044478.1 [0,2,0,0,0,0|0,0,2]=4 597 B9R0.34 COC(=O)C=C(C)CCO CNP0161567.0 [0,2,0,0,0,0|1,0,0]=3 598 B9R0.53 CC(=CC(=O)O)CC(=O)O CNP0273372.0 [0,2,0,0,0,0|1,0,1]=4 599 B9R0.53 CC(C)CC(N)CC(=O)O CNP0415809.0 [0,2,0,0,0,0|0,0,2]=4 600 B9R0.53 CC(C)CC(O)CC(=O)O CNP0002352.0 [0,2,0,0,0,0|0,0,2]=4 601 B9R0.53 C[C@H](N)CC(=O)CC(=O)O CNP0136260.1 [0,2,0,0,0,0|0,0,1]=3 602 B9R0.53 C[C@H](N)C[C@H](N)CC(=O)O CNP0118793.1 [0,2,0,0,0,0|0,0,2]=4 603 B9R0.1 CC(=CCCC(C)C)C=O CNP0199233.0 [0,2,0,0,0,0|1,0,1]=4 604 B9R0.1 CC=C(C)C=CCC(C)C CNP0113285.0 [0,2,0,0,0,0|2,0,0]=4 605 B9R0.1 CCC(=O)C=CCC(C)C CNP0303308.0 [0,2,0,0,0,0|1,0,0]=3 606 B9R0.1 CCC(C)CCCC(=O)O CNP0085923.0 [0,2,0,0,0,0|0,0,2]=4 607 B9R0.1 CC[C@@H](C)/C=C/C=C(C)C CNP0154756.1 [0,2,0,0,0,0|2,0,0]=4 608 B9R0.1 CC[C@@H](C)/C=C\C=C(C)C CNP0154756.2 [0,2,0,0,0,0|2,0,0]=4 609 B9R0.1 COC(=O)CCCC(C)C CNP0354056.0 [0,2,0,0,0,0|0,0,2]=4 610 B9R0.1 CO[N+](=CC=CC(=O)O)[O-] CNP0535849.0 [0,2,0,0,0,0|1,0,1]=4 611 B9R0.5 C=COC(=O)C=CC=CC CNP0588574.0 [0,2,0,0,0,0|0,0,2]=4 612 B9R0.5 C=COC(=O)CCCCC CNP0521245.0 [0,2,0,0,0,0|0,0,2]=4 613 B9R0.5 CC=CC(=O)C=CCCC CNP0250774.0 [0,2,0,0,0,0|1,0,0]=3 614 B9R0.5 CC=CC=CC(=O)OCC CNP0002481.0 [0,2,0,0,0,0|0,0,2]=4 615 B9R0.5 CCC=CCC(=O)OCC CNP0055106.0 [0,2,0,0,0,0|0,0,2]=4 616 B9R0.5 CCCC=CC(=O)OCC CNP0003275.0 [0,2,0,0,0,0|0,0,0]=2 617 B9R0.5 CCCCCC(=O)CCO CNP0135586.0 [0,2,0,0,0,0|0,0,2]=4 618 B9R0.5 CCCCCC(=O)OCC CNP0149883.0 [0,2,0,0,0,0|0,0,2]=4 619 B9R0.8 CCCCC(=O)C(=O)OC CNP0508522.0 [0,2,0,0,0,0|0,0,1]=3 620 B9R0.8 CCCC[C@H](Br)C(=O)OC CNP0017826.1 [0,2,0,0,0,0|0,0,2]=4 621 B9R0.24 CCC(C)CCC(=O)OC CNP0076942.0 [0,2,0,0,0,0|0,0,2]=4 622 B9R0.24 CC[C@@H](C)/C=C/C(=O)OC CNP0273478.2 [0,2,0,0,0,0|0,0,0]=2 623 B9R0.24 CC[C@@H](C)C=CC(=O)OC CNP0273478.1 [0,2,0,0,0,0|0,0,0]=2 624 B9R0.24 COC(=O)C=CC(=O)OC CNP0328522.0 [0,2,0,0,0,0|1,0,1]=4 625 B9R0.46 CCC=CCCC(=O)OC CNP0175025.0 [0,2,0,0,0,0|0,0,2]=4 626 B9R0.46 CCCCC=CC(=O)OC CNP0002590.0 [0,2,0,0,0,0|0,0,0]=2 627 B9R0.46 CCCCCC=C(C)C=O CNP0094185.0 [0,2,0,0,0,0|1,0,1]=4 628 B9R0.46 CCCCCCC(=O)OC CNP0149439.0 [0,2,0,0,0,0|0,0,2]=4 629 B9R0.47 C=C(CCCCC)C(=O)C CNP0237498.0 [0,2,0,0,0,0|1,0,1]=4 630 B9R0.47 CCCCCC(=O)C(=O)C CNP0172779.0 [0,2,0,0,0,0|1,0,1]=4 631 B9R0.47 CCCCCC(=O)[C@H](C)O CNP0109068.1 [0,2,0,0,0,0|0,0,2]=4 632 B9R0.47 CCCCC[C@@H](C)C(=O)O CNP0262834.1 [0,2,0,0,0,0|0,0,2]=4 633 B9R0.47 CCCCC[C@@H](N)C(=O)O CNP0193634.1 [0,2,0,0,0,0|0,0,2]=4 634 B9R0.47 CCCCC[C@@H](O)C(=O)O CNP0135339.2 [0,2,0,0,0,0|0,0,2]=4 635 B9R0.47 CCCCC[C@H](N)C(=O)O CNP0193634.2 [0,2,0,0,0,0|0,0,2]=4 636 B9R0.47 CCCCC[C@H](O)C(=O)O CNP0135339.1 [0,2,0,0,0,0|0,0,2]=4 637 B9R0.47 CCCCOC(=O)[C@H](C)O CNP0002502.1 [0,2,0,0,0,0|1,0,1]=4 638 B9R0.47 CCCSC[C@H](N)C(=O)O CNP0231801.1 [0,2,0,0,0,0|0,0,2]=4 639 B9R0.47 CCNCC[C@H](N)C(=O)O CNP0373665.1 [0,2,0,0,0,0|0,0,2]=4 640 B9R0.47 CCOCC[C@H](N)C(=O)O CNP0109857.1 [0,2,0,0,0,0|0,0,2]=4 641 B9R0.47 CCSCC[C@@H](N)C(=O)O CNP0415767.2 [0,2,0,0,0,0|0,0,2]=4 642 B9R0.47 CCSCC[C@H](N)C(=O)O CNP0415767.1 [0,2,0,0,0,0|0,0,2]=4 643 B9R0.47 CC[Se]CCC(N)C(=O)O CNP0076033.0 [0,2,0,0,0,0|0,0,2]=4 644 B9R0.47 CNCCC[C@H](N)C(=O)O CNP0022631.1 [0,2,0,0,0,0|0,0,2]=4 645 B9R0.47 CSCCCC(=O)C(=O)O CNP0309382.0 [0,2,0,0,0,0|0,0,1]=3 646 B9R0.47 CSCCC[C@@H](N)C(=O)O CNP0165905.2 [0,2,0,0,0,0|0,0,2]=4 647 B9R0.47 CSCCC[C@H](N)C(=O)O CNP0165905.1 [0,2,0,0,0,0|0,0,2]=4 648 B9R0.47 NCCCCC(=O)C(=O)O CNP0416953.0 [0,2,0,0,0,0|0,0,1]=3 649 B9R0.47 NCCCC[C@@H](N)C(=O)O CNP0204700.3 [0,2,0,0,0,0|0,0,2]=4 650 B9R0.47 NCCCC[C@H](N)C(=O)O CNP0204700.1 [0,2,0,0,0,0|0,0,2]=4 651 B9R0.47 NCC[13CH2]C[C@H](N)C(=O)O CNP0204700.2 [0,2,0,0,0,0|0,0,2]=4 652 B9R0.47 N[C@@H](CCCCO)C(=O)O CNP0105740.1 [0,2,0,0,0,0|0,0,2]=4 653 B9R0.47 N[C@H](CCCCO)C(=O)O CNP0105740.2 [0,2,0,0,0,0|0,0,2]=4 654 B9R0.50 CCCC=CC(OC)OC CNP0003291.0 [0,2,0,0,0,0|0,0,2]=4 655 B9R0.50 CCCCC=C(C=O)CC CNP0377822.0 [0,2,0,0,0,0|1,0,1]=4 656 B9R0.2 CC=CC=CC=CC(=O)O CNP0249309.0 [0,2,0,0,0,0|0,0,2]=4 657 B9R0.2 CC=CCCC=CC(=O)O CNP0585544.0 [0,2,0,0,0,0|0,0,0]=2 658 B9R0.2 CCC=CCCCC(=O)O CNP0227056.0 [0,2,0,0,0,0|0,0,2]=4 659 B9R0.2 CCCC=CC#CC(=O)N CNP0372311.0 [0,2,0,0,0,0|1,0,0]=3 660 B9R0.2 CCCC=CC=CC(=O)N CNP0194584.0 [0,2,0,0,0,0|1,0,0]=3 661 B9R0.2 CCCC=CC=CC(=O)O CNP0529774.0 [0,2,0,0,0,0|0,0,0]=2 662 B9R0.2 CCCC=CCCC(=O)C CNP0193124.0 [0,2,0,0,0,0|1,0,0]=3 663 B9R0.2 CCCC=CCCC(=O)O CNP0173555.0 [0,2,0,0,0,0|0,0,0]=2 664 B9R0.2 CCCC=CCOC(=O)C CNP0181998.0 [0,2,0,0,0,0|1,0,0]=3 665 B9R0.2 CCCCC=CCC(=O)O CNP0229088.0 [0,2,0,0,0,0|0,0,0]=2 666 B9R0.2 CCCCC=COC(=O)C CNP0481499.0 [0,2,0,0,0,0|1,0,0]=3 667 B9R0.2 CCCCCC=CC(=O)C CNP0269922.0 [0,2,0,0,0,0|1,0,0]=3 668 B9R0.2 CCCCCC=CC(=O)O CNP0184671.0 [0,2,0,0,0,0|0,0,0]=2 669 B9R0.2 CCCCCCCC(=O)O CNP0295653.0 [0,2,0,0,0,0|0,0,2]=4 670 B9R0.2 CCCCOCCC(=O)O CNP0103655.0 [0,2,0,0,0,0|0,0,2]=4 671 B9R0.2 CCOCCOCC(=O)O CNP0083036.0 [0,2,0,0,0,0|0,0,2]=4 672 B9R0.2 O=C(O)CCCCCCS CNP0359132.0 [0,2,0,0,0,0|0,0,2]=4 673 B9R0.38 CCCCC=CC(C)(C)O CNP0348905.0 [0,2,0,0,0,0|1,0,1]=4 674 B9R0.48 CCCC(=O)CCC(=O)C CNP0566396.0 [0,2,0,0,0,0|1,0,1]=4 675 B9R0.48 CCCC(=O)COC(=O)C CNP0598796.0 [0,2,0,0,0,0|1,0,1]=4 676 B9R0.48 CCCC(=O)NCC(=O)O CNP0083880.0 [0,2,0,0,0,0|0,0,1]=3 677 B9R0.48 CCC[C@@H](N)CCC(=O)O CNP0360374.1 [0,2,0,0,0,0|0,0,2]=4 678 B9R0.48 CCC[C@@H](O)CCC(=O)O CNP0457735.2 [0,2,0,0,0,0|0,0,2]=4 679 B9R0.48 CCC[C@H](N)CCC(=O)O CNP0360374.2 [0,2,0,0,0,0|0,0,2]=4 680 B9R0.48 CCC[C@H](O)CCC(=O)O CNP0457735.1 [0,2,0,0,0,0|0,0,2]=4 681 B9R0.48 CCOC(=O)C=CC(=O)O CNP0272269.0 [0,2,0,0,0,0|0,0,1]=3 682 B9R0.48 CCOC(=O)CCC(=O)O CNP0186824.0 [0,2,0,0,0,0|1,0,1]=4 683 B9R0.48 COCC(=O)NCC(=O)O CNP0277433.0 [0,2,0,0,0,0|1,0,1]=4 684 B9R0.55 CC(=O)C=CCCC(C)C CNP0019322.0 [0,2,0,0,0,0|1,0,0]=3 685 B9R0.55 CC(=O)CCCCC(=O)O CNP0590711.0 [0,2,0,0,0,0|0,0,2]=4 686 B9R0.55 CC(=O)NCC=CC(=O)O CNP0164677.0 [0,2,0,0,0,0|0,0,1]=3 687 B9R0.55 CC(C)CCCCC(=O)O CNP0196819.0 [0,2,0,0,0,0|0,0,2]=4 688 B9R0.55 CC(O)C=CCCC(=O)O CNP0612153.0 [0,2,0,0,0,0|0,0,2]=4 689 B9R0.55 C[S+](C)CCCCC(=O)O CNP0043116.0 [0,2,0,0,0,0|0,0,2]=4 690 B9R0.55 C[S](C)CCCCC(=O)O CNP0533226.0 [0,2,0,0,0,0|0,0,2]=4 691 B9R0.55 O=C(O)C=CCCC(=O)O CNP0419680.0 [0,2,0,0,0,0|0,0,1]=3 692 B9R0.55 O=C(O)CC=CCC(=O)O CNP0098647.0 [0,2,0,0,0,0|1,0,1]=4 693 B9R0.7 CC(=CCC(=O)O)C(=O)O CNP0023661.0 [0,2,0,0,0,0|1,0,1]=4 694 B9R0.7 CC(C)CC[C@H](N)C(=O)O CNP0116555.1 [0,2,0,0,0,0|0,0,2]=4 695 B9R0.7 CC(C)[C@@H](O)C#CC(=O)O CNP0442900.2 [0,2,0,0,0,0|0,0,2]=4 696 B9R0.7 CC(C)[C@H](O)C#CC(=O)O CNP0442900.1 [0,2,0,0,0,0|0,0,2]=4 697 B9R0.7 CC(N)CCC(N)C(=O)O CNP0515846.0 [0,2,0,0,0,0|0,0,2]=4 698 B9R0.7 CC(O)CC[C@H](N)C(=O)O CNP0295098.1 [0,2,0,0,0,0|0,0,2]=4 699 B9R0.7 C[C@H](O)CC[C@H](N)C(=O)O CNP0295098.2 [0,2,0,0,0,0|0,0,2]=4 700 B9R0.7 C[C@H](O)[C@@H](O)/C=C/C(=O)O CNP0206491.1 [0,2,0,0,0,0|0,0,0]=2 701 B9R0.13 CCCCC(=NO)C(=O)O CNP0294790.0 [0,2,0,0,0,0|0,0,1]=3 702 B9R0.13 CCCC[C@@H](CC)C(=O)O CNP0333356.2 [0,2,0,0,0,0|0,0,2]=4 703 B9R0.13 CCCC[C@@H](NC)C(=O)O CNP0058018.2 [0,2,0,0,0,0|0,0,2]=4 704 B9R0.13 CCCC[C@H](CC)C(=O)O CNP0333356.1 [0,2,0,0,0,0|0,0,2]=4 705 B9R0.13 CCCC[C@H](NC)C(=O)O CNP0058018.1 [0,2,0,0,0,0|0,0,2]=4 706 B9R0.42 CCC(C)C[C@H](N)C(=O)O CNP0257538.2 [0,2,0,0,0,0|0,0,2]=4 707 B9R0.42 CCC(O)C[C@H](N)C(=O)O CNP0517544.1 [0,2,0,0,0,0|0,0,2]=4 708 B9R0.42 CC[C@@H](C)/C=C(\C)/C(=O)C CNP0235309.1 [0,2,0,0,0,0|1,0,0]=3 709 B9R0.42 CC[C@H](C)/C=C(\C)/C(=O)C CNP0235309.2 [0,2,0,0,0,0|1,0,0]=3 710 B9R0.42 CC[C@H](C)C[C@H](N)C(=O)O CNP0257538.1 [0,2,0,0,0,0|0,0,2]=4 711 B9R0.42 NC[C@H](O)CC(=O)C(=O)O CNP0566698.1 [0,2,0,0,0,0|1,0,1]=4 712 B9R0.43 CC=C(C=CC(=O)N)CC CNP0192720.0 [0,2,0,0,0,0|1,0,1]=4 713 B9R0.43 CCC(C=CC(=O)C)CC CNP0612140.0 [0,2,0,0,0,0|1,0,0]=3 714 B9R0.56 CC(=O)C=CNC(C)(C)C CNP0065095.0 [0,2,0,0,0,0|2,0,0]=4 715 B9R0.56 CC(C)(C)SC=CC(=O)N CNP0500148.0 [0,2,0,0,0,0|2,0,0]=4 716 B9R0.56 C[N+](C)(C)CC=CC(=O)O CNP0058148.0 [0,2,0,0,0,0|1,0,0]=3 717 B9R0.56 C[N+](C)(C)CC=CC(=O)[O-] CNP0522002.0 [0,2,0,0,0,0|1,0,1]=4 718 B7R1.2 C=C1C=CC(=O)O1 CNP0331663.0 [1,0,0,1,0,0|0,0,2]=4 719 B7R1.2 CC1=CC=C(O1)C CNP0204172.0 [1,0,0,1,0,0|1,0,1]=4 720 B7R1.2 CC1=CCC(=O)O1 CNP0256319.0 [1,0,0,1,0,0|0,0,2]=4 721 B7R1.2 CC1C=C(CC1)O CNP0082123.0 [1,0,0,1,0,0|1,0,1]=4 722 B7R1.2 CC1C=CC(=O)O1 CNP0003646.0 [1,0,0,1,0,0|0,0,0]=2 723 B7R1.2 CC1C=CC(O1)C CNP0611535.0 [1,0,0,1,0,0|1,0,1]=4 724 B7R1.2 CC1CCC(=O)C1 CNP0601005.0 [1,0,0,1,0,0|1,0,1]=4 725 B7R1.2 CC1CCC(=O)S1 CNP0014457.0 [1,0,0,1,0,0|0,1,1]=4 726 B7R1.2 CC1CNC(=O)C1 CNP0609130.0 [1,0,0,1,0,0|2,0,0]=4 727 B7R1.2 CC1COC(=O)O1 CNP0609065.0 [1,0,0,1,0,0|1,0,0]=3 728 B7R1.2 C[C@@H]1CCC(=O)O1 CNP0123835.1 [1,0,0,1,0,0|0,0,1]=3 729 B7R1.2 C[C@@H]1COC(=O)C1 CNP0323281.1 [1,0,0,1,0,0|2,0,0]=4 730 B7R1.2 C[C@H]1CCC(=O)O1 CNP0123835.2 [1,0,0,1,0,0|0,0,1]=3 731 B7R1.2 C[C@H]1COC(=O)C1 CNP0323281.2 [1,0,0,1,0,0|2,0,0]=4 732 B7R1.2 O=C1C=CC(=O)O1 CNP0609075.0 [1,0,0,1,0,0|1,0,1]=4 733 B7R1.2 O=C1C=CC(C1)O CNP0594515.0 [1,0,0,1,0,0|2,0,0]=4 734 B7R1.2 O=C1C=C[C@H](N1)O CNP0582707.1 [1,0,0,1,0,0|2,0,0]=4 735 B7R1.2 OC1=NC(C=C1)O CNP0132128.0 [1,0,0,1,0,0|2,0,0]=4 736 B7R1.3 CC1=CCCCC1 CNP0369235.0 [1,0,0,1,0,0|2,0,0]=4 737 B7R1.3 O=C1C=CC=CO1 CNP0166350.0 [1,0,0,1,0,0|0,0,2]=4 738 B7R1.3 O=C1C=CCCC1 CNP0212151.0 [1,0,0,1,0,0|1,0,0]=3 739 B7R1.3 O=C1C=CCCN1 CNP0306654.0 [1,0,0,1,0,0|1,0,0]=3 740 B7R1.3 O=C1CCCC=N1 CNP0335756.0 [1,0,0,1,0,0|2,0,0]=4 741 B7R1.3 O=C1CCCCC1 CNP0271526.0 [1,0,0,1,0,0|1,0,1]=4 742 B7R1.3 O=C1CCCCN1 CNP0142808.0 [1,0,0,1,0,0|1,0,1]=4 743 B7R1.3 O=C1CCCCO1 CNP0237404.0 [1,0,0,1,0,0|0,0,1]=3 744 B7R1.3 OC1=CCCCC1 CNP0083987.0 [1,0,0,1,0,0|1,0,0]=3 745 B7R1.3 OC1=NCCC=C1 CNP0563692.0 [1,0,0,1,0,0|1,0,0]=3 746 B7R1.3 OC1=NCCCC1 CNP0547052.0 [1,0,0,1,0,0|1,0,1]=4 747 B7R1.3 O[C@@H]1C=CCCC1 CNP0239826.2 [1,0,0,1,0,0|1,0,1]=4 748 B7R1.3 O[C@H]1C=CCCC1 CNP0239826.1 [1,0,0,1,0,0|1,0,1]=4 749 B7R1.3 S=C1NCCCO1 CNP0326797.0 [1,0,0,1,0,0|1,1,0]=4 750 B7R1.18 O=C(O)[C@@H]1CCN1 CNP0146840.1 [1,0,0,1,0,0|1,0,1]=4 751 B7R1.18 O=C(O)[C@H]1CCN1 CNP0146840.2 [1,0,0,1,0,0|1,0,1]=4 752 B7R1.1 CCC1=CC=CO1 CNP0402547.0 [1,0,0,1,0,0|0,0,1]=3 753 B7R1.1 CCC1=CC=CS1 CNP0405107.0 [1,0,0,1,0,0|0,1,1]=4 754 B7R1.1 CCC1=CCCC1 CNP0080677.0 [1,0,0,1,0,0|1,0,1]=4 755 B7R1.1 CCN1C=CC=C1 CNP0076212.0 [1,0,0,1,0,0|2,0,0]=4 756 B7R1.1 O=CN1CCCC1 CNP0081536.0 [1,0,0,1,0,0|1,0,1]=4 757 B7R1.1 OCC1=CC=CO1 CNP0152361.0 [1,0,0,1,0,0|1,0,1]=4 758 B7R1.1 SCC1=CC=CO1 CNP0246335.0 [1,0,0,1,0,0|1,0,1]=4 759 B7R1.4 CC1COCC1=O CNP0611227.0 [1,0,0,1,0,0|1,0,1]=4 760 B7R1.4 CN1CC=CC1=O CNP0611983.0 [1,0,0,1,0,0|1,0,0]=3 761 B7R1.4 C[C@@H]1CCCC1=O CNP0165073.2 [1,0,0,1,0,0|0,0,2]=4 762 B7R1.4 C[C@@H]1CCOC1=O CNP0290908.1 [1,0,0,1,0,0|1,0,1]=4 763 B7R1.4 C[C@H]1CCCC1=O CNP0165073.1 [1,0,0,1,0,0|0,0,2]=4 764 B7R1.4 C[C@H]1CCOC1=O CNP0290908.2 [1,0,0,1,0,0|1,0,1]=4 765 B7R1.4 O=C1C=CCC1=O CNP0612212.0 [1,0,0,1,0,0|1,0,1]=4 766 B7R1.24 C1=CCCCC=C1 CNP0610332.0 [1,0,0,1,0,0|1,0,0]=3 767 B9R1.7 CCCC1=CC(=O)CC1 CNP0248705.0 [0,1,0,1,0,0|1,0,0]=3 768 B9R1.7 CCCC1=CN=C(O1)C CNP0059425.0 [0,1,0,1,0,0|1,0,0]=3 769 B9R1.7 CCCC1=COC(=N1)C CNP0002752.0 [0,1,0,1,0,0|2,0,0]=4 770 B9R1.7 CCCC1=NC(=CO1)C CNP0002751.0 [0,1,0,1,0,0|2,0,0]=4 771 B9R1.7 CCCC1=NC=C(O1)C CNP0183724.0 [0,1,0,1,0,0|1,0,0]=3 772 B9R1.7 CCC[C@H]1CCC(=O)O1 CNP0172695.1 [0,1,0,1,0,0|0,0,2]=4 773 B9R1.7 CCOC1C=CC(=O)N1 CNP0590383.0 [0,1,0,1,0,0|1,0,0]=3 774 B9R1.7 CCO[C@H]1CCC(=O)O1 CNP0310487.1 [0,1,0,1,0,0|0,0,2]=4 775 B9R1.7 CNC[C@H]1CCC(=O)O1 CNP0475322.1 [0,1,0,1,0,0|0,0,2]=4 776 B9R1.7 NCCN1C=CC(=O)O1 CNP0169742.0 [0,1,0,1,0,0|1,0,0]=3 777 B9R1.7 O=C1C=CC(=CCO)O1 CNP0169626.0 [0,1,0,1,0,0|0,0,2]=4 778 B9R1.13 O=C(O)CC1CCCC1 CNP0381828.0 [0,1,0,1,0,0|0,0,2]=4 779 B9R1.13 O=C(O)CC1CCCS1 CNP0050808.0 [0,1,0,1,0,0|0,0,2]=4 780 B9R1.13 O=C(O)C[C@@H]1C=CCC1 CNP0371740.1 [0,1,0,1,0,0|0,0,2]=4 781 B9R1.13 O=C(O)C[C@@H]1CCCN1 CNP0390024.1 [0,1,0,1,0,0|0,0,2]=4 782 B9R1.13 O=C(O)C[C@H]1C=CCC1 CNP0371740.2 [0,1,0,1,0,0|0,0,2]=4 783 B9R1.22 CC1=CC(=O)O[C@H]1CO CNP0209931.1 [0,1,0,1,0,0|1,0,0]=3 784 B9R1.22 CCC1OC(=O)CC1C CNP0611861.0 [0,1,0,1,0,0|0,0,2]=4 785 B9R1.22 O=C1C=C(C(O1)CO)O CNP0517348.0 [0,1,0,1,0,0|1,0,0]=3 786 B9R1.34 CC1=CC(=CC(=O)O1)O CNP0150285.0 [0,1,0,1,0,0|0,0,2]=4 787 B9R1.34 CC1=CC(=O)CC(C1)C CNP0386862.0 [0,1,0,1,0,0|1,0,0]=3 788 B9R1.34 CC1=CC(=O)OC(=C1)C CNP0079979.0 [0,1,0,1,0,0|0,0,2]=4 789 B9R1.34 CC1OC(=O)CC(=O)O1 CNP0094345.0 [0,1,0,1,0,0|1,0,1]=4 790 B9R1.34 C[C@@H]1CC(=CC(=O)O1)O CNP0195692.1 [0,1,0,1,0,0|0,0,0]=2 791 B9R1.34 C[C@@H]1C[C@H](CC(=O)O1)O CNP0232226.2 [0,1,0,1,0,0|0,0,2]=4 792 B9R1.34 C[C@H]1CC(=CC(=O)O1)O CNP0195692.2 [0,1,0,1,0,0|0,0,0]=2 793 B9R1.34 C[C@H]1C[C@@H](CC(=O)O1)O CNP0232226.1 [0,1,0,1,0,0|0,0,2]=4 794 B9R1.41 CC(=O)C1=C(CCC1)C CNP0084970.0 [0,1,0,1,0,0|1,0,0]=3 795 B9R1.41 CC(=O)C1=CCC[C@H]1C CNP0246388.1 [0,1,0,1,0,0|1,0,0]=3 796 B9R1.41 CC1=C(C=CO1)C(=O)O CNP0152585.0 [0,1,0,1,0,0|0,0,2]=4 797 B9R1.41 CC1=C(NC=C1)C(=O)O CNP0198389.0 [0,1,0,1,0,0|0,0,2]=4 798 B9R1.41 CC1=C(OC=C1)C(=O)O CNP0566239.0 [0,1,0,1,0,0|0,0,2]=4 799 B9R1.41 CC1=C(SC=C1)C(=O)O CNP0195449.0 [0,1,0,1,0,0|0,0,2]=4 800 B9R1.41 CN1CCC[C@@H]1C(=O)O CNP0209638.1 [0,1,0,1,0,0|0,0,2]=4 801 B9R1.41 CN1CCC[C@H]1C(=O)O CNP0209638.2 [0,1,0,1,0,0|0,0,2]=4 802 B9R1.41 CN1N=CC=C1C(=O)O CNP0141031.0 [0,1,0,1,0,0|1,0,1]=4 803 B9R1.41 C[C@@H]1C=CN[C@H]1C(=O)O CNP0506561.1 [0,1,0,1,0,0|0,0,2]=4 804 B9R1.41 C[C@@H]1CCC[C@H]1C(=O)O CNP0302447.1 [0,1,0,1,0,0|0,0,2]=4 805 B9R1.41 C[C@H]1CCC[C@@H]1C(=O)O CNP0302447.2 [0,1,0,1,0,0|0,0,2]=4 806 B9R1.41 NC(=O)N1CCCC1=O CNP0193817.0 [0,1,0,1,0,0|2,0,0]=4 807 B9R1.41 NN1CCC[C@H]1C(=O)O CNP0198646.1 [0,1,0,1,0,0|1,0,1]=4 808 B9R1.41 N[C@@H]1CCC[C@H]1C(=O)O CNP0179700.2 [0,1,0,1,0,0|0,0,2]=4 809 B9R1.41 N[C@@H]1CCN[C@@H]1C(=O)O CNP0238258.3 [0,1,0,1,0,0|1,0,1]=4 810 B9R1.41 N[C@@H]1CCN[C@H]1C(=O)O CNP0238258.2 [0,1,0,1,0,0|1,0,1]=4 811 B9R1.41 N[C@H]1CCC[C@H]1C(=O)O CNP0179700.1 [0,1,0,1,0,0|0,0,2]=4 812 B9R1.41 N[C@H]1CCN[C@H]1C(=O)O CNP0238258.1 [0,1,0,1,0,0|1,0,1]=4 813 B9R1.41 O=C(O)N1CCCC1=O CNP0088387.0 [0,1,0,1,0,0|1,0,0]=3 814 B9R1.41 O=C(O)[C@@H]1CCCN1O CNP0236003.2 [0,1,0,1,0,0|1,0,1]=4 815 B9R1.41 O=C(O)[C@@H]1NCC[C@@H]1O CNP0193079.1 [0,1,0,1,0,0|1,0,1]=4 816 B9R1.41 O=C(O)[C@@H]1NCC[C@H]1O CNP0193079.3 [0,1,0,1,0,0|1,0,1]=4 817 B9R1.41 O=C(O)[C@H]1CCCN1O CNP0236003.1 [0,1,0,1,0,0|1,0,1]=4 818 B9R1.41 O=C(O)[C@H]1NCC[C@@H]1O CNP0193079.2 [0,1,0,1,0,0|1,0,1]=4 819 B9R1.41 O=C(O)[C@H]1NCC[C@H]1O CNP0193079.4 [0,1,0,1,0,0|1,0,1]=4 820 B9R1.48 CC1=CC(=O)NCCC1 CNP0425910.0 [0,1,0,1,0,0|1,0,0]=3 821 B9R1.48 C[C@H]1CCCCC(=O)O1 CNP0109717.1 [0,1,0,1,0,0|0,0,2]=4 822 B9R1.48 O=C1CCCCC(=O)C1 CNP0554115.0 [0,1,0,1,0,0|1,0,1]=4 823 B9R1.48 O=C1CCCCC(=O)O1 CNP0322939.0 [0,1,0,1,0,0|2,0,0]=4 824 B9R1.48 O=C1CCCNC(=O)N1 CNP0110595.0 [0,1,0,1,0,0|2,0,0]=4 825 B9R1.1 CCC1=CC=C(C=C1)O CNP0299375.0 [0,1,0,1,0,0|1,0,1]=4 826 B9R1.2 CCC1=CC=CC(=C1)O CNP0135916.0 [0,1,0,1,0,0|1,0,1]=4 827 B9R1.2 CC[C@H]1CCCC(=O)O1 CNP0210303.1 [0,1,0,1,0,0|0,0,2]=4 828 B9R1.3 CC1=C(C(=O)C=CN1)O CNP0416033.0 [0,1,0,1,0,0|1,0,1]=4 829 B9R1.3 CC1=C(C(=O)C=CO1)O CNP0287207.0 [0,1,0,1,0,0|1,0,1]=4 830 B9R1.3 C[C@@H]1OC=CC(=O)C1=O CNP0313434.1 [0,1,0,1,0,0|1,0,1]=4 831 B9R1.5 C[C@H]1CCCCOC1=O CNP0187217.1 [0,1,0,1,0,0|0,0,2]=4 832 B9R1.11 CCC(=O)C1=NCCC1 CNP0077976.0 [0,1,0,1,0,0|2,0,0]=4 833 B9R1.11 COC(=O)N1C=CCC1 CNP0029534.0 [0,1,0,1,0,0|1,0,1]=4 834 B9R1.11 COC(=O)[C@@H]1C=CCC1 CNP0166268.1 [0,1,0,1,0,0|0,0,2]=4 835 B9R1.11 COC(=O)[C@H]1CCCN1 CNP0150193.1 [0,1,0,1,0,0|1,0,1]=4 836 B9R1.21 CCC1=CC=C(O1)C=O CNP0610543.0 [0,1,0,1,0,0|0,0,1]=3 837 B9R1.21 COC1=CC=C(O1)C=O CNP0184831.0 [0,1,0,1,0,0|1,0,1]=4 838 B9R1.21 O=CC1=CC=C(O1)CO CNP0222574.0 [0,1,0,1,0,0|1,0,1]=4 839 B9R1.6 CC(=O)C1=CCCCC1 CNP0565095.0 [0,1,0,1,0,0|1,0,0]=3 840 B9R1.6 CC(=O)C1=CCCCN1 CNP0423535.0 [0,1,0,1,0,0|1,0,0]=3 841 B9R1.6 CC(=O)C1=CSCCN1 CNP0003045.0 [0,1,0,1,0,0|2,0,0]=4 842 B9R1.6 CC(=O)C1=NCCCC1 CNP0342346.0 [0,1,0,1,0,0|1,0,1]=4 843 B9R1.6 O=C(O)C1=CCCCC1 CNP0146896.0 [0,1,0,1,0,0|0,0,0]=2 844 B9R1.6 O=C(O)C1=CCCNC1 CNP0383811.0 [0,1,0,1,0,0|0,0,0]=2 845 B9R1.6 O=C(O)C1=CCNCC1 CNP0216340.0 [0,1,0,1,0,0|0,0,0]=2 846 B9R1.6 O=C(O)C1=COCCO1 CNP0147356.0 [0,1,0,1,0,0|1,0,0]=3 847 B9R1.6 O=C(O)C1=NC=COC1 CNP0348069.0 [0,1,0,1,0,0|1,0,1]=4 848 B9R1.6 O=C(O)C1=NCCCC1 CNP0002372.0 [0,1,0,1,0,0|0,0,1]=3 849 B9R1.6 O=C(O)C1C=CCN=C1 CNP0025301.0 [0,1,0,1,0,0|1,0,1]=4 850 B9R1.6 O=C(O)C1CCCCC1 CNP0244214.0 [0,1,0,1,0,0|0,0,2]=4 851 B9R1.6 O=C(O)C1CCNCC1 CNP0070992.0 [0,1,0,1,0,0|0,0,2]=4 852 B9R1.6 O=C(O)[C@@H]1CCC=CN1 CNP0265562.1 [0,1,0,1,0,0|0,0,2]=4 853 B9R1.6 O=C(O)[C@@H]1CCCC=N1 CNP0037714.1 [0,1,0,1,0,0|0,0,1]=3 854 B9R1.6 O=C(O)[C@@H]1CCCCN1 CNP0148927.2 [0,1,0,1,0,0|0,0,2]=4 855 B9R1.6 O=C(O)[C@@H]1CCCNC1 CNP0137943.1 [0,1,0,1,0,0|0,0,2]=4 856 B9R1.6 O=C(O)[C@@H]1CCCNN1 CNP0122625.2 [0,1,0,1,0,0|1,0,1]=4 857 B9R1.6 O=C(O)[C@@H]1CSCCN1 CNP0414195.1 [0,1,0,1,0,0|1,0,1]=4 858 B9R1.6 O=C(O)[C@H]1CC=CCC1 CNP0343332.1 [0,1,0,1,0,0|0,0,2]=4 859 B9R1.6 O=C(O)[C@H]1CCCCN1 CNP0148927.1 [0,1,0,1,0,0|0,0,2]=4 860 B9R1.6 O=C(O)[C@H]1CCCNC1 CNP0137943.2 [0,1,0,1,0,0|0,0,2]=4 861 B9R1.6 O=C(O)[C@H]1CCCNN1 CNP0122625.1 [0,1,0,1,0,0|1,0,1]=4 862 B9R1.6 O=[14C](O)[C@H]1CCCCN1 CNP0148927.3 [0,1,0,1,0,0|0,0,2]=4 863 B9R1.85 O=C(O)CCCC1CC1 CNP0252470.0 [0,1,0,1,0,0|0,0,2]=4 864 B9R1.23 CC1=CC(OC1=O)CCl CNP0359086.0 [0,1,0,1,0,0|1,0,0]=3 865 B9R1.23 CC[C@H]1C=C(C(=O)C1)O CNP0284446.1 [0,1,0,1,0,0|1,0,0]=3 866 B9R1.35 CC(C)[C@@H]1CCC(=O)O1 CNP0292712.2 [0,1,0,1,0,0|0,0,2]=4 867 B9R1.35 CC(C)[C@H]1C=CC(=O)N1 CNP0479799.1 [0,1,0,1,0,0|1,0,0]=3 868 B9R1.35 CC(C)[C@H]1C=CC(=O)O1 CNP0264367.1 [0,1,0,1,0,0|0,0,0]=2 869 B9R1.35 CC(C)[C@H]1CCC(=O)O1 CNP0292712.1 [0,1,0,1,0,0|0,0,2]=4 870 B9R1.35 CC1=CC(=CO1)C(=O)O CNP0306402.0 [0,1,0,1,0,0|1,0,1]=4 871 B9R1.35 CC1=CC=C(O1)C(=O)O CNP0084070.0 [0,1,0,1,0,0|0,0,2]=4 872 B9R1.35 CC1=CC=C(O1)C(C)C CNP0259912.0 [0,1,0,1,0,0|1,0,1]=4 873 B9R1.35 CC1=NC=C(N1)C(=O)O CNP0443494.0 [0,1,0,1,0,0|1,0,1]=4 874 B9R1.35 C[C@@H](O)[C@@H]1CCC(=O)O1 CNP0205569.1 [0,1,0,1,0,0|0,0,2]=4 875 B9R1.35 C[C@@H](O)[C@H]1C=CC(=O)O1 CNP0131918.2 [0,1,0,1,0,0|0,0,0]=2 876 B9R1.35 C[C@@H]1CC[C@@H](C1)C(=O)O CNP0315118.1 [0,1,0,1,0,0|0,0,2]=4 877 B9R1.35 C[C@@H]1CN[C@@H](C1)C(=O)O CNP0293874.4 [0,1,0,1,0,0|1,0,1]=4 878 B9R1.35 C[C@@H]1CN[C@H](C1)C(=O)O CNP0293874.2 [0,1,0,1,0,0|1,0,1]=4 879 B9R1.35 C[C@H](O)[C@H]1C=CC(=O)O1 CNP0131918.1 [0,1,0,1,0,0|0,0,0]=2 880 B9R1.35 C[C@H](O)[C@H]1CCC(=O)O1 CNP0205569.2 [0,1,0,1,0,0|0,0,2]=4 881 B9R1.35 C[C@H]1CC[C@H](N1)C(=O)O CNP0140199.1 [0,1,0,1,0,0|0,0,2]=4 882 B9R1.35 C[C@H]1CN[C@@H](C1)C(=O)O CNP0293874.3 [0,1,0,1,0,0|1,0,1]=4 883 B9R1.35 C[C@H]1CN[C@H](C1)C(=O)O CNP0293874.1 [0,1,0,1,0,0|1,0,1]=4 884 B9R1.35 NC1CCC(C1)C(=O)O CNP0035427.0 [0,1,0,1,0,0|0,0,2]=4 885 B9R1.35 N[C@H]1CN[C@@H](C1)C(=O)O CNP0274679.1 [0,1,0,1,0,0|1,0,1]=4 886 B9R1.35 O=C(O)C1=NCC(C1)O CNP0083616.0 [0,1,0,1,0,0|1,0,0]=3 887 B9R1.35 O=C(O)[C@@H]1CC(CN1)O CNP0368925.2 [0,1,0,1,0,0|1,0,1]=4 888 B9R1.35 O=C(O)[C@@H]1C[C@@H](CN1)O CNP0368925.3 [0,1,0,1,0,0|1,0,1]=4 889 B9R1.35 O=C(O)[C@@H]1C[C@H](CN1)O CNP0368925.1 [0,1,0,1,0,0|1,0,1]=4 890 B9R1.35 O=C(O)[C@H]1C[C@@H](CN1)O CNP0368925.5 [0,1,0,1,0,0|1,0,1]=4 891 B9R1.35 O=C(O)[C@H]1C[C@H](CN1)O CNP0368925.4 [0,1,0,1,0,0|1,0,1]=4 892 B9R1.35 O=C1CC=C(N1)C(=O)O CNP0530811.0 [0,1,0,1,0,0|1,0,1]=4 893 B9R1.69 CC1C=CC(=O)CC1C CNP0611987.0 [0,1,0,1,0,0|1,0,0]=3 894 B9R1.69 C[C@@H]1CC(=O)C=CC1=O CNP0273693.1 [0,1,0,1,0,0|1,0,1]=4 895 B9R1.69 C[C@@H]1CCC(=O)O[C@H]1C CNP0250448.1 [0,1,0,1,0,0|0,0,2]=4 896 B9R1.69 C[C@@H]1CC[C@@H](C(=O)O1)C CNP0186029.3 [0,1,0,1,0,0|0,0,2]=4 897 B9R1.69 C[C@@H]1CC[C@@H](OC1=O)C CNP0186029.1 [0,1,0,1,0,0|0,0,2]=4 898 B9R1.69 C[C@@H]1CC[C@H](C(=O)O1)C CNP0186029.2 [0,1,0,1,0,0|0,0,2]=4 899 B9R1.69 C[C@@H]1OC(=O)C=C[C@H]1O CNP0277618.1 [0,1,0,1,0,0|0,0,0]=2 900 B9R1.69 C[C@@H]1OC(=O)CC[C@@H]1C CNP0250448.2 [0,1,0,1,0,0|0,0,2]=4 901 B9R1.69 C[C@H]1OC(=O)C=C[C@@H]1O CNP0277618.2 [0,1,0,1,0,0|0,0,0]=2 902 B9R1.69 C[C@H]1OC(=O)C=C[C@H]1O CNP0277618.3 [0,1,0,1,0,0|0,0,0]=2 903 B9R1.93 CC[C@@H]1C[C@@]1(N)C(=O)O CNP0294977.4 [0,1,0,1,0,0|0,0,2]=4 904 B9R1.93 CC[C@@H]1C[C@]1(N)C(=O)O CNP0294977.3 [0,1,0,1,0,0|0,0,2]=4 905 B9R1.93 CC[C@H]1C[C@@]1(N)C(=O)O CNP0294977.1 [0,1,0,1,0,0|0,0,2]=4 906 B9R1.93 CC[C@H]1C[C@]1(N)C(=O)O CNP0294977.2 [0,1,0,1,0,0|0,0,2]=4 907 B9R1.110 O=C(O)C(=O)N1CCC1 CNP0339837.0 [0,1,0,1,0,0|1,0,0]=3 908 B9R1.112 C[C@H](NC1CC1)C(=O)O CNP0492619.1 [0,1,0,1,0,0|1,0,1]=4 909 B9R1.112 N[C@@H](CC1CC1)C(=O)O CNP0115257.1 [0,1,0,1,0,0|0,0,2]=4 910 B9R1.163 C[C@]1(CCCN1)C(=O)O CNP0044930.1 [0,1,0,1,0,0|1,0,1]=4 911 B9R1.163 NC1(CCCC1)C(=O)O CNP0401519.0 [0,1,0,1,0,0|0,0,2]=4 912 B9R1.125 C=CC1(C=CC(=O)O1)C CNP0559463.0 [0,1,0,1,0,0|0,0,2]=4 913 B9R1.125 C[C@@]1(C=CC(=O)O1)CO CNP0110252.1 [0,1,0,1,0,0|1,0,0]=3 914 B9R2.150 O=C(O)[C@H]1N[C@H]2[C@@H]1C2 CNP0249310.1 [0,0,0,2,0,0|1,0,1]=4