0 B5R0.2 C=C=CCC=O CNP0509236.0 [0,0,0,0,0,0|0,0,2]=2 1 B5R0.2 C=CC=CC=C CNP0612137.0 [0,0,0,0,0,0|1,0,2]=3 2 B5R0.2 C=CC=CC=O CNP0022566.0 [0,0,0,0,0,0|0,0,2]=2 3 B5R0.2 C=CC=CCC CNP0495438.0 [0,0,0,0,0,0|1,0,3]=4 4 B5R0.2 C=CCC=CC CNP0292090.0 [0,0,0,0,0,0|1,0,1]=2 5 B5R0.2 C=CCCC#N CNP0248596.0 [0,0,0,0,0,0|1,0,1]=2 6 B5R0.2 C=CCCC=C CNP0079781.0 [0,0,0,0,0,0|1,0,0]=1 7 B5R0.2 C=CCCC=O CNP0076959.0 [0,0,0,0,0,0|0,0,0]=0 8 B5R0.2 C=CCCCC CNP0264947.0 [0,0,0,0,0,0|1,0,1]=2 9 B5R0.2 C=CCCCO CNP0003396.0 [0,0,0,0,0,0|0,0,2]=2 10 B5R0.2 C=CCN=C=S CNP0329428.0 [0,0,0,0,0,0|1,1,1]=3 11 B5R0.2 C=CCN=[N+]=[N-] CNP0564364.0 [0,0,0,0,0,0|3,0,0]=3 12 B5R0.2 C=CCOC=C CNP0367857.0 [0,0,0,0,0,0|2,0,0]=2 13 B5R0.2 C=CCOC=O CNP0541341.0 [0,0,0,0,0,0|1,0,0]=1 14 B5R0.2 C=CCSC#N CNP0391044.0 [0,0,0,0,0,0|2,0,1]=3 15 B5R0.2 C=CCSCC CNP0261096.0 [0,0,0,0,0,0|2,0,1]=3 16 B5R0.2 C=CCSSC CNP0333880.0 [0,0,0,0,0,0|3,0,0]=3 17 B5R0.2 C=CC[N+]=C=S CNP0590911.0 [0,0,0,0,0,0|1,1,1]=3 18 B5R0.2 C=CSSCC CNP0003136.0 [0,0,0,0,0,0|3,0,1]=4 19 B5R0.2 CC=CC=CC CNP0611428.0 [0,0,0,0,0,0|1,0,3]=4 20 B5R0.2 CC=CCC#N CNP0080085.0 [0,0,0,0,0,0|1,0,3]=4 21 B5R0.2 CC=CCC=O CNP0167409.0 [0,0,0,0,0,0|0,0,2]=2 22 B5R0.2 CC=CCCC CNP0419577.0 [0,0,0,0,0,0|1,0,3]=4 23 B5R0.2 CC=CCCO CNP0253382.0 [0,0,0,0,0,0|0,0,4]=4 24 B5R0.2 CCC=CC=O CNP0328747.0 [0,0,0,0,0,0|0,0,4]=4 25 B5R0.2 CCCC=CO CNP0247153.0 [0,0,0,0,0,0|0,0,4]=4 26 B5R0.2 CCCCC#N CNP0357663.0 [0,0,0,0,0,0|1,0,3]=4 27 B5R0.2 CCCCC=O CNP0361186.0 [0,0,0,0,0,0|0,0,2]=2 28 B5R0.2 CCCCCBr CNP0018690.0 [0,0,0,0,0,0|1,0,3]=4 29 B5R0.2 CCCCCC CNP0269021.0 [0,0,0,0,0,0|1,0,3]=4 30 B5R0.2 CCCCCI CNP0017763.0 [0,0,0,0,0,0|1,0,3]=4 31 B5R0.2 CCCCCN CNP0203183.0 [0,0,0,0,0,0|1,0,3]=4 32 B5R0.2 CCCCCO CNP0244882.0 [0,0,0,0,0,0|0,0,4]=4 33 B5R0.2 CCCCCS CNP0260876.0 [0,0,0,0,0,0|0,1,3]=4 34 B5R0.2 CCCCNC CNP0277639.0 [0,0,0,0,0,0|2,0,2]=4 35 B5R0.2 CCCCOC CNP0609033.0 [0,0,0,0,0,0|2,0,2]=4 36 B5R0.2 CCCCSC CNP0562965.0 [0,0,0,0,0,0|2,0,2]=4 37 B5R0.2 CCCC[S+]=O CNP0521772.0 [0,0,0,0,0,0|1,0,2]=3 38 B5R0.2 CCCOC=O CNP0326097.0 [0,0,0,0,0,0|1,0,2]=3 39 B5R0.2 CNCCNC CNP0480039.0 [0,0,0,0,0,0|3,0,1]=4 40 B5R0.2 COCCOC CNP0144142.0 [0,0,0,0,0,0|3,0,1]=4 41 B5R0.2 CSCCC=O CNP0136743.0 [0,0,0,0,0,0|1,0,1]=2 42 B5R0.2 CSCCCN CNP0348726.0 [0,0,0,0,0,0|2,0,2]=4 43 B5R0.2 CSCCCO CNP0359993.0 [0,0,0,0,0,0|1,0,3]=4 44 B5R0.2 N#CCCC#N CNP0194793.0 [0,0,0,0,0,0|2,0,2]=4 45 B5R0.2 N#CCCC=O CNP0181263.0 [0,0,0,0,0,0|1,0,1]=2 46 B5R0.2 N#CCCCO CNP0358912.0 [0,0,0,0,0,0|1,0,3]=4 47 B5R0.2 NCCCC=O CNP0359033.0 [0,0,0,0,0,0|1,0,1]=2 48 B5R0.2 NCCCCN CNP0116270.0 [0,0,0,0,0,0|2,0,2]=4 49 B5R0.2 NCCCCO CNP0514594.0 [0,0,0,0,0,0|1,0,3]=4 50 B5R0.2 O=CC=CCO CNP0112016.0 [0,0,0,0,0,0|1,0,3]=4 51 B5R0.2 O=CCCC=O CNP0053830.0 [0,0,0,0,0,0|1,0,0]=1 52 B5R0.2 OCCCCBr CNP0083982.0 [0,0,0,0,0,0|1,0,3]=4 53 B5R0.2 OCCCCCl CNP0079807.0 [0,0,0,0,0,0|1,0,3]=4 54 B5R0.2 OCCCCO CNP0080008.0 [0,0,0,0,0,0|1,0,3]=4 55 B5R0.2 [C-]#[N+]CCCC CNP0522879.0 [0,0,0,0,0,0|2,0,2]=4 56 B4R0.2 C#CCC=O CNP0596193.0 [1,0,0,0,0,0|0,0,2]=3 57 B4R0.2 C#CCCC CNP0510243.0 [1,0,0,0,0,0|0,0,3]=4 58 B4R0.2 C#CCCO CNP0577358.0 [1,0,0,0,0,0|0,0,3]=4 59 B4R0.2 C=C=C=C=O CNP0521230.0 [1,0,0,0,0,0|0,0,3]=4 60 B4R0.2 C=C=CCC CNP0484675.0 [1,0,0,0,0,0|0,0,3]=4 61 B4R0.2 C=CC=CC CNP0501543.0 [1,0,0,0,0,0|1,0,1]=3 62 B4R0.2 C=CC=NO CNP0532391.0 [1,0,0,0,0,0|1,0,2]=4 63 B4R0.2 C=CCC#N CNP0498043.0 [1,0,0,0,0,0|1,0,1]=3 64 B4R0.2 C=CCC=C CNP0494589.0 [1,0,0,0,0,0|0,0,1]=2 65 B4R0.2 C=CCCC CNP0529271.0 [1,0,0,0,0,0|0,0,1]=2 66 B4R0.2 C=CCCN CNP0493733.0 [1,0,0,0,0,0|1,0,0]=2 67 B4R0.2 C=CCCO CNP0599473.0 [1,0,0,0,0,0|0,0,1]=2 68 B4R0.2 C=CCSC CNP0572475.0 [1,0,0,0,0,0|1,0,1]=3 69 B4R0.2 C=CCSO CNP0600527.0 [1,0,0,0,0,0|1,0,1]=3 70 B4R0.2 C=CC[Se]C CNP0612039.0 [1,0,0,0,0,0|1,0,1]=3 71 B4R0.2 C=COCC CNP0567970.0 [1,0,0,0,0,0|1,0,1]=3 72 B4R0.2 C=CSC=C CNP0525399.0 [1,0,0,0,0,0|1,0,1]=3 73 B4R0.2 C=CSCC CNP0581257.0 [1,0,0,0,0,0|1,0,1]=3 74 B4R0.2 C=NCC#N CNP0567708.0 [1,0,0,0,0,0|2,0,1]=4 75 B4R0.2 CC=CC=O CNP0576575.0 [1,0,0,0,0,0|0,0,2]=3 76 B4R0.2 CC=CCC CNP0524560.0 [1,0,0,0,0,0|0,0,3]=4 77 B4R0.2 CC=CCO CNP0498228.0 [1,0,0,0,0,0|0,0,3]=4 78 B4R0.2 CC=CCS CNP0606069.0 [1,0,0,0,0,0|0,1,2]=4 79 B4R0.2 CCC=S=O CNP0514855.0 [1,0,0,0,0,0|1,0,2]=4 80 B4R0.2 CCCC=O CNP0518034.0 [1,0,0,0,0,0|0,0,1]=2 81 B4R0.2 CCCCC CNP0486380.0 [1,0,0,0,0,0|0,0,3]=4 82 B4R0.2 CCCCI CNP0558480.0 [1,0,0,0,0,0|1,0,2]=4 83 B4R0.2 CCCCN CNP0597509.0 [1,0,0,0,0,0|1,0,2]=4 84 B4R0.2 CCCCO CNP0505612.0 [1,0,0,0,0,0|0,0,3]=4 85 B4R0.2 CCCCS CNP0598878.0 [1,0,0,0,0,0|0,1,2]=4 86 B4R0.2 CCCNC CNP0599313.0 [1,0,0,0,0,0|1,0,2]=4 87 B4R0.2 CCCOC CNP0609062.0 [1,0,0,0,0,0|1,0,2]=4 88 B4R0.2 CCCSC CNP0481317.0 [1,0,0,0,0,0|1,0,2]=4 89 B4R0.2 CCCSO CNP0594110.0 [1,0,0,0,0,0|1,0,2]=4 90 B4R0.2 CCOC=O CNP0525155.0 [1,0,0,0,0,0|1,0,1]=3 91 B4R0.2 CCON=O CNP0596964.0 [1,0,0,0,0,0|2,0,1]=4 92 B4R0.2 CNCCN CNP0496542.0 [1,0,0,0,0,0|2,0,1]=4 93 B4R0.2 CNCCO CNP0513801.0 [1,0,0,0,0,0|1,0,2]=4 94 B4R0.2 COCCI CNP0495552.0 [1,0,0,0,0,0|2,0,1]=4 95 B4R0.2 COCCO CNP0561250.0 [1,0,0,0,0,0|1,0,2]=4 96 B4R0.2 COCC[Si] CNP0501162.0 [1,0,0,0,0,0|1,1,1]=4 97 B4R0.2 CSCC=O CNP0555203.0 [1,0,0,0,0,0|1,0,1]=3 98 B4R0.2 CSCCO CNP0574269.0 [1,0,0,0,0,0|1,0,2]=4 99 B4R0.2 ClC=CCCl CNP0530301.0 [1,0,0,0,0,0|2,0,1]=4 100 B4R0.2 N#CCCN CNP0502764.0 [1,0,0,0,0,0|2,0,1]=4 101 B4R0.2 NCCC=O CNP0502520.0 [1,0,0,0,0,0|1,0,0]=2 102 B4R0.2 NCCCN CNP0566837.0 [1,0,0,0,0,0|2,0,1]=4 103 B4R0.2 NCCCO CNP0538228.0 [1,0,0,0,0,0|1,0,2]=4 104 B4R0.2 NCCCS CNP0560812.0 [1,0,0,0,0,0|1,1,1]=4 105 B4R0.2 O=CC=CCl CNP0542132.0 [1,0,0,0,0,0|1,0,1]=3 106 B4R0.2 O=CCC=O CNP0495847.0 [1,0,0,0,0,0|1,0,0]=2 107 B4R0.2 O=CCCO CNP0525339.0 [1,0,0,0,0,0|1,0,0]=2 108 B4R0.2 OCC=CCl CNP0578872.0 [1,0,0,0,0,0|1,0,2]=4 109 B4R0.2 OCCCBr CNP0506989.0 [1,0,0,0,0,0|1,0,2]=4 110 B4R0.2 OCCCO CNP0503416.0 [1,0,0,0,0,0|1,0,2]=4 111 B4R0.2 OCCCS CNP0586497.0 [1,0,0,0,0,0|1,0,2]=4 112 B4R0.2 SCCCS CNP0528691.0 [1,0,0,0,0,0|1,1,1]=4 113 B4R0.2 [C-]#[N+]CCC CNP0525086.0 [1,0,0,0,0,0|1,0,2]=4 114 B6R0.1 C=C(C=O)CC=O CNP0191239.0 [0,1,0,0,0,0|1,0,1]=3 115 B6R0.1 C=CC(=O)CCC CNP0162905.0 [0,1,0,0,0,0|1,0,2]=4 116 B6R0.1 C=CC=C(C)C=C CNP0076815.0 [0,1,0,0,0,0|1,0,2]=4 117 B6R0.1 C=CCC(=O)CC CNP0580605.0 [0,1,0,0,0,0|1,0,2]=4 118 B6R0.1 C=CCS(=S)OC CNP0557318.0 [0,1,0,0,0,0|3,0,0]=4 119 B6R0.1 C=CC[C@H](C)C=O CNP0283012.1 [0,1,0,0,0,0|0,0,0]=1 120 B6R0.1 C=CC[S@+]([O-])SC CNP0594212.2 [0,1,0,0,0,0|3,0,0]=4 121 B6R0.1 C=CC[S@@+]([O-])SC CNP0594212.1 [0,1,0,0,0,0|3,0,0]=4 122 B6R0.1 C=CC[S@@H+]([O-])SC CNP0536830.1 [0,1,0,0,0,0|3,0,0]=4 123 B6R0.1 C=C[C@@H](O)CC#N CNP0276029.1 [0,1,0,0,0,0|1,0,1]=3 124 B6R0.1 C=C[C@H](O)CCC CNP0193104.1 [0,1,0,0,0,0|1,0,1]=3 125 B6R0.1 CC=NN(C)C=O CNP0241743.0 [0,1,0,0,0,0|2,0,1]=4 126 B6R0.1 CCC(C)CC=O CNP0531748.0 [0,1,0,0,0,0|0,0,2]=3 127 B6R0.1 CCC(C)NC=O CNP0583042.0 [0,1,0,0,0,0|1,0,2]=4 128 B6R0.1 CCC(C)OC=O CNP0570369.0 [0,1,0,0,0,0|1,0,2]=4 129 B6R0.1 CCCC(=O)C=O CNP0111121.0 [0,1,0,0,0,0|0,0,3]=4 130 B6R0.1 CCC[C@@H](C)C=O CNP0370387.1 [0,1,0,0,0,0|0,0,2]=3 131 B6R0.1 COC(=O)CC=O CNP0187576.0 [0,1,0,0,0,0|1,0,2]=4 132 B6R0.1 CSC(C)CC=O CNP0002406.0 [0,1,0,0,0,0|1,0,1]=3 133 B6R0.1 NC(C=O)CC=O CNP0515395.0 [0,1,0,0,0,0|1,0,0]=2 134 B6R0.1 O=CC(=O)CCO CNP0294743.0 [0,1,0,0,0,0|1,0,2]=4 135 B6R0.4 C#CNCC(=O)O CNP0073758.0 [0,1,0,0,0,0|1,0,2]=4 136 B6R0.4 C=C(C)CCSC CNP0330891.0 [0,1,0,0,0,0|2,0,0]=3 137 B6R0.4 C=CC=CC(=O)O CNP0076475.0 [0,1,0,0,0,0|0,0,2]=3 138 B6R0.4 C=CCCC(=O)C CNP0610109.0 [0,1,0,0,0,0|0,0,0]=1 139 B6R0.4 C=CCCC(=O)N CNP0118917.0 [0,1,0,0,0,0|0,0,0]=1 140 B6R0.4 C=CCCC(=O)O CNP0003359.0 [0,1,0,0,0,0|0,0,0]=1 141 B6R0.4 C=CCCC(C)O CNP0519217.0 [0,1,0,0,0,0|0,0,2]=3 142 B6R0.4 C=CCNC(=S)N CNP0415688.0 [0,1,0,0,0,0|1,1,0]=3 143 B6R0.4 C=CCOC(=O)C CNP0175648.0 [0,1,0,0,0,0|1,0,0]=2 144 B6R0.4 C=CCOS(=S)C CNP0604033.0 [0,1,0,0,0,0|2,1,0]=4 145 B6R0.4 C=CCSC(=O)C CNP0301401.0 [0,1,0,0,0,0|1,0,0]=2 146 B6R0.4 C=CCSC(C)C CNP0309084.0 [0,1,0,0,0,0|2,0,1]=4 147 B6R0.4 C=CCS[S@+](C)[O-] CNP0503783.1 [0,1,0,0,0,0|2,0,1]=4 148 B6R0.4 C=CCS[S@H+](C)[O-] CNP0588299.1 [0,1,0,0,0,0|2,0,1]=4 149 B6R0.4 CC(=CCC=O)C CNP0094675.0 [0,1,0,0,0,0|0,0,2]=3 150 B6R0.4 CC(=O)CCC=O CNP0261239.0 [0,1,0,0,0,0|0,0,1]=2 151 B6R0.4 CC(=O)NCCN CNP0182526.0 [0,1,0,0,0,0|2,0,1]=4 152 B6R0.4 CC(=O)NCCO CNP0304709.0 [0,1,0,0,0,0|2,0,1]=4 153 B6R0.4 CC(=O)NCCS CNP0516453.0 [0,1,0,0,0,0|2,0,1]=4 154 B6R0.4 CC(=O)OCCI CNP0274212.0 [0,1,0,0,0,0|2,0,1]=4 155 B6R0.4 CC(=O)OCCN CNP0165405.0 [0,1,0,0,0,0|2,0,1]=4 156 B6R0.4 CC(=O)OCCO CNP0589275.0 [0,1,0,0,0,0|2,0,1]=4 157 B6R0.4 CC(C)CCC=O CNP0198082.0 [0,1,0,0,0,0|0,0,2]=3 158 B6R0.4 CC(C)CNC=O CNP0473867.0 [0,1,0,0,0,0|1,0,2]=4 159 B6R0.4 CC(C)COC=O CNP0232692.0 [0,1,0,0,0,0|1,0,2]=4 160 B6R0.4 CC=CCC(=O)O CNP0610144.0 [0,1,0,0,0,0|0,0,2]=3 161 B6R0.4 CCCCC(=O)C CNP0194685.0 [0,1,0,0,0,0|0,0,2]=3 162 B6R0.4 CCCCC(=O)N CNP0248834.0 [0,1,0,0,0,0|0,0,2]=3 163 B6R0.4 CCCCC(=O)O CNP0144818.0 [0,1,0,0,0,0|0,0,2]=3 164 B6R0.4 CCCC[11C](=O)O CNP0540258.0 [0,1,0,0,0,0|0,0,2]=3 165 B6R0.4 CCCNC(=O)C CNP0115400.0 [0,1,0,0,0,0|1,0,2]=4 166 B6R0.4 CCCOC(=O)C CNP0274142.0 [0,1,0,0,0,0|1,0,2]=4 167 B6R0.4 CCCSC(=O)C CNP0076500.0 [0,1,0,0,0,0|1,0,2]=4 168 B6R0.4 CCNCC(=O)O CNP0076362.0 [0,1,0,0,0,0|1,0,2]=4 169 B6R0.4 CCOCC(=O)N CNP0329352.0 [0,1,0,0,0,0|1,0,2]=4 170 B6R0.4 CCOCC(=O)O CNP0229583.0 [0,1,0,0,0,0|1,0,2]=4 171 B6R0.4 CNCCC(=O)O CNP0502963.0 [0,1,0,0,0,0|1,0,1]=3 172 B6R0.4 CSCCC(=O)C CNP0353152.0 [0,1,0,0,0,0|1,0,1]=3 173 B6R0.4 CSCCC(=O)N CNP0220146.0 [0,1,0,0,0,0|1,0,1]=3 174 B6R0.4 CSCCC(=O)O CNP0143779.0 [0,1,0,0,0,0|1,0,1]=3 175 B6R0.4 CSCSC(=O)C CNP0232862.0 [0,1,0,0,0,0|2,0,1]=4 176 B6R0.4 C[N+]CCC(=O)[O-] CNP0588104.0 [0,1,0,0,0,0|1,0,1]=3 177 B6R0.4 C[S+](C)CCC=O CNP0136791.0 [0,1,0,0,0,0|1,0,1]=3 178 B6R0.4 N=C(N)NCC=O CNP0478435.0 [0,1,0,0,0,0|2,0,0]=3 179 B6R0.4 N=CNCC(=O)O CNP0218776.0 [0,1,0,0,0,0|2,0,0]=3 180 B6R0.4 NC(=O)CCCO CNP0573523.0 [0,1,0,0,0,0|1,0,1]=3 181 B6R0.4 NCCCC(=O)O CNP0116256.0 [0,1,0,0,0,0|1,0,1]=3 182 B6R0.4 O=C(O)CCCO CNP0236331.0 [0,1,0,0,0,0|1,0,1]=3 183 B6R0.4 O=C([O-])CCCO CNP0492590.0 [0,1,0,0,0,0|1,0,1]=3 184 B6R0.4 O=CCCC(=O)O CNP0318740.0 [0,1,0,0,0,0|1,0,0]=2 185 B6R0.4 O=CNCC(=O)O CNP0082901.0 [0,1,0,0,0,0|2,0,0]=3 186 B6R0.4 O=[N+]([O-])CCCO CNP0184942.0 [0,1,0,0,0,0|2,0,1]=4 187 B6R0.6 C=CC#CC=CC CNP0360102.0 [0,1,0,0,0,0|1,0,2]=4 188 B6R0.6 C=CC=CC=CC CNP0610379.0 [0,1,0,0,0,0|1,0,2]=4 189 B6R0.6 C=CC=CCCC CNP0526826.0 [0,1,0,0,0,0|1,0,2]=4 190 B6R0.6 C=CCCC=CC CNP0426808.0 [0,1,0,0,0,0|1,0,0]=2 191 B6R0.6 C=CCCCC#N CNP0287374.0 [0,1,0,0,0,0|1,0,1]=3 192 B6R0.6 C=CCCCC=C CNP0115869.0 [0,1,0,0,0,0|1,0,0]=2 193 B6R0.6 C=CCCCCC CNP0226691.0 [0,1,0,0,0,0|1,0,1]=3 194 B6R0.6 C=CCCCCO CNP0162421.0 [0,1,0,0,0,0|0,0,2]=3 195 B6R0.6 C=CCCN=C=S CNP0107519.0 [0,1,0,0,0,0|0,1,1]=3 196 B6R0.6 C=CCCSC#N CNP0532187.0 [0,1,0,0,0,0|1,0,1]=3 197 B6R0.6 C=CCNCC=C CNP0443858.0 [0,1,0,0,0,0|1,0,0]=2 198 B6R0.6 C=CCOCCO CNP0248950.0 [0,1,0,0,0,0|0,0,2]=3 199 B6R0.6 C=CCSCC=C CNP0303954.0 [0,1,0,0,0,0|1,0,0]=2 200 B6R0.6 C=CCSCCC CNP0150756.0 [0,1,0,0,0,0|1,0,1]=3 201 B6R0.6 C=CCSSSC CNP0338885.0 [0,1,0,0,0,0|2,1,0]=4 202 B6R0.6 C=CCSSSS CNP0003499.0 [0,1,0,0,0,0|2,1,0]=4 203 B6R0.6 C=COCCCC CNP0077236.0 [0,1,0,0,0,0|1,0,1]=3 204 B6R0.6 CC=CC=CC=O CNP0182801.0 [0,1,0,0,0,0|0,0,2]=3 205 B6R0.6 CC=CCCC=O CNP0056069.0 [0,1,0,0,0,0|0,0,0]=1 206 B6R0.6 CC=CCCCC CNP0158475.0 [0,1,0,0,0,0|1,0,1]=3 207 B6R0.6 CC=CCCCO CNP0309139.0 [0,1,0,0,0,0|0,0,2]=3 208 B6R0.6 CC=CCSCC CNP0575773.0 [0,1,0,0,0,0|2,0,1]=4 209 B6R0.6 CC=COC=CC CNP0612224.0 [0,1,0,0,0,0|2,0,1]=4 210 B6R0.6 CC=CSC=CC CNP0002507.0 [0,1,0,0,0,0|2,0,1]=4 211 B6R0.6 CC=CSCCC CNP0320861.0 [0,1,0,0,0,0|2,0,1]=4 212 B6R0.6 CCC=C=CC=O CNP0611366.0 [0,1,0,0,0,0|0,0,3]=4 213 B6R0.6 CCC=CCC=O CNP0227189.0 [0,1,0,0,0,0|0,0,2]=3 214 B6R0.6 CCCC=CC=O CNP0263913.0 [0,1,0,0,0,0|0,0,3]=4 215 B6R0.6 CCCCC=CO CNP0511187.0 [0,1,0,0,0,0|1,0,1]=3 216 B6R0.6 CCCCC=NO CNP0149695.0 [0,1,0,0,0,0|0,0,3]=4 217 B6R0.6 CCCCCC=O CNP0304790.0 [0,1,0,0,0,0|0,0,2]=3 218 B6R0.6 CCCCNC=O CNP0082472.0 [0,1,0,0,0,0|0,0,2]=3 219 B6R0.6 CCCCOC=O CNP0282325.0 [0,1,0,0,0,0|0,0,2]=3 220 B6R0.6 CCCCON=O CNP0003508.0 [0,1,0,0,0,0|1,0,2]=4 221 B6R0.6 CSCCCC=O CNP0002814.0 [0,1,0,0,0,0|0,0,2]=3 222 B6R0.6 NCCCCC=O CNP0083786.0 [0,1,0,0,0,0|0,0,2]=3 223 B6R0.6 O=CCCCC=O CNP0204417.0 [0,1,0,0,0,0|0,0,1]=2 224 B6R1.1 C1=CC=CC=C1 CNP0140642.0 [0,0,0,1,0,0|1,0,2]=4 225 B6R1.1 C1=CC=NC=C1 CNP0160377.0 [0,0,0,1,0,0|1,0,2]=4 226 B6R1.1 C1=CC=[GeH]C=C1 CNP0610073.0 [0,0,0,1,0,0|1,0,2]=4 227 B6R1.1 C1=CCC=CC1 CNP0508932.0 [0,0,0,1,0,0|1,0,1]=3 228 B6R1.1 C1=CCCC=C1 CNP0267898.0 [0,0,0,1,0,0|1,0,0]=2 229 B6R1.1 C1=CCCCC1 CNP0275665.0 [0,0,0,1,0,0|1,0,1]=3 230 B6R1.1 C1=CCN=CC1 CNP0062927.0 [0,0,0,1,0,0|2,0,0]=3 231 B6R1.1 C1=CCNC=C1 CNP0081217.0 [0,0,0,1,0,0|2,0,0]=3 232 B6R1.1 C1=CCNCC1 CNP0086452.0 [0,0,0,1,0,0|2,0,0]=3 233 B6R1.1 C1=CCOC=C1 CNP0513975.0 [0,0,0,1,0,0|2,0,0]=3 234 B6R1.1 C1=CC[IH]C=C1 CNP0564978.0 [0,0,0,1,0,0|2,0,0]=3 235 B6R1.1 C1=CN=CC=N1 CNP0190332.0 [0,0,0,1,0,0|2,0,1]=4 236 B6R1.1 C1=CN=CN=C1 CNP0415803.0 [0,0,0,1,0,0|2,0,1]=4 237 B6R1.1 C1=CNCCC1 CNP0200592.0 [0,0,0,1,0,0|1,0,1]=3 238 B6R1.1 C1=CNCN=C1 CNP0472134.0 [0,0,0,1,0,0|3,0,0]=4 239 B6R1.1 C1=COCCC1 CNP0583467.0 [0,0,0,1,0,0|0,0,2]=3 240 B6R1.1 C1=CSSC=C1 CNP0509445.0 [0,0,0,1,0,0|3,0,0]=4 241 B6R1.1 C1=CSSCC1 CNP0530429.0 [0,0,0,1,0,0|1,1,0]=3 242 B6R1.1 C1=NCCCC1 CNP0139263.0 [0,0,0,1,0,0|1,0,2]=4 243 B6R1.1 [CH]1C=CCCC1 CNP0541179.0 [0,0,0,1,0,0|1,0,1]=3 244 B6R1.1 [C]1=CC=CC=C1 CNP0517520.0 [0,0,0,1,0,0|1,0,2]=4 245 B6R1.2 C=C1C=CC=N1 CNP0533988.0 [0,0,0,1,0,0|1,0,2]=4 246 B6R1.2 C=C1C=CCC1 CNP0269204.0 [0,0,0,1,0,0|1,0,0]=2 247 B6R1.2 C=C1CCCC1 CNP0338602.0 [0,0,0,1,0,0|1,0,1]=3 248 B6R1.2 CC1=CC=CN1 CNP0003130.0 [0,0,0,1,0,0|2,0,1]=4 249 B6R1.2 CC1=CC=CO1 CNP0204821.0 [0,0,0,1,0,0|2,0,1]=4 250 B6R1.2 CC1=CC=CS1 CNP0308280.0 [0,0,0,1,0,0|2,0,1]=4 251 B6R1.2 CC1=CCCC1 CNP0610106.0 [0,0,0,1,0,0|1,0,1]=3 252 B6R1.2 CC1=CCCS1 CNP0003101.0 [0,0,0,1,0,0|2,0,1]=4 253 B6R1.2 CC1=CCOC1 CNP0516552.0 [0,0,0,1,0,0|2,0,1]=4 254 B6R1.2 CC1=CNC=C1 CNP0578230.0 [0,0,0,1,0,0|2,0,1]=4 255 B6R1.2 CC1=COC=C1 CNP0401605.0 [0,0,0,1,0,0|2,0,1]=4 256 B6R1.2 CC1=COCC1 CNP0002470.0 [0,0,0,1,0,0|2,0,0]=3 257 B6R1.2 CC1=CSC=C1 CNP0153726.0 [0,0,0,1,0,0|2,0,1]=4 258 B6R1.2 CC1=CSSC1 CNP0310441.0 [0,0,0,1,0,0|3,0,0]=4 259 B6R1.2 CC1C=COC1 CNP0165220.0 [0,0,0,1,0,0|2,0,1]=4 260 B6R1.2 C[C@@H]1C=CNC1 CNP0309884.1 [0,0,0,1,0,0|2,0,1]=4 261 B6R1.2 C[N+]1=CCCC1 CNP0251573.0 [0,0,0,1,0,0|2,0,1]=4 262 B6R1.2 NC1=NNC=C1 CNP0210263.0 [0,0,0,1,0,0|3,0,0]=4 263 B6R1.2 O=C1C=CCC1 CNP0122561.0 [0,0,0,1,0,0|0,0,0]=1 264 B6R1.2 O=C1C=CCO1 CNP0253714.0 [0,0,0,1,0,0|1,0,0]=2 265 B6R1.2 O=C1C=CN=N1 CNP0490259.0 [0,0,0,1,0,0|2,0,0]=3 266 B6R1.2 O=C1C=CNO1 CNP0275546.0 [0,0,0,1,0,0|2,0,0]=3 267 B6R1.2 O=C1C=COO1 CNP0482120.0 [0,0,0,1,0,0|2,0,0]=3 268 B6R1.2 O=C1CC=CO1 CNP0494071.0 [0,0,0,1,0,0|1,0,1]=3 269 B6R1.2 O=C1CCCC1 CNP0287963.0 [0,0,0,1,0,0|0,0,2]=3 270 B6R1.2 O=C1CCCN1 CNP0127855.0 [0,0,0,1,0,0|1,0,1]=3 271 B6R1.2 O=C1CCCO1 CNP0315299.0 [0,0,0,1,0,0|1,0,1]=3 272 B6R1.2 O=C1CCCS1 CNP0084584.0 [0,0,0,1,0,0|1,0,1]=3 273 B6R1.2 O=C1CCNN1 CNP0035182.0 [0,0,0,1,0,0|2,0,0]=3 274 B6R1.2 O=C1CCOC1 CNP0051503.0 [0,0,0,1,0,0|1,0,1]=3 275 B6R1.2 O=C1CCON1 CNP0325381.0 [0,0,0,1,0,0|2,0,0]=3 276 B6R1.2 O=C1CCSC1 CNP0003522.0 [0,0,0,1,0,0|1,0,1]=3 277 B6R1.2 O=C1CN=CN1 CNP0321519.0 [0,0,0,1,0,0|2,0,0]=3 278 B6R1.2 O=C1NCCO1 CNP0064744.0 [0,0,0,1,0,0|2,0,1]=4 279 B6R1.2 O=C1OC=CO1 CNP0585701.0 [0,0,0,1,0,0|2,0,1]=4 280 B6R1.2 OC1=CC=CO1 CNP0600093.0 [0,0,0,1,0,0|1,0,2]=4 281 B6R1.2 OC1=NCCC1 CNP0485346.0 [0,0,0,1,0,0|1,0,2]=4 282 B6R1.2 OC1=NOCC1 CNP0504784.0 [0,0,0,1,0,0|2,0,1]=4 283 B6R1.2 S=C1C=CSS1 CNP0140042.0 [0,0,0,1,0,0|2,1,0]=4 284 B6R1.2 SC1=CC=CS1 CNP0113015.0 [0,0,0,1,0,0|1,1,1]=4 285 B6R1.2 SC1=CSC=C1 CNP0208450.0 [0,0,0,1,0,0|1,1,1]=4 286 B6R1.2 [O-][N+]1=CCCC1 CNP0558986.0 [0,0,0,1,0,0|1,0,2]=4 287 B6R1.4 C[C@@H]1CCC1=O CNP0253900.1 [0,0,0,1,0,0|0,0,2]=3 288 B6R1.6 OCC1C=CC1 CNP0202846.0 [0,0,0,1,0,0|0,0,2]=3 289 B6R1.8 O=C1CC1CO CNP0073765.0 [0,0,0,1,0,0|1,0,1]=3 290 B3R0.1 BrCCBr CNP0591557.0 [2,0,0,0,0,0|2,0,0]=4 291 B3R0.1 BrCCI CNP0495630.0 [2,0,0,0,0,0|2,0,0]=4 292 B3R0.1 C#CC=O CNP0511000.0 [2,0,0,0,0,0|0,0,2]=4 293 B3R0.1 C#CCC CNP0509561.0 [2,0,0,0,0,0|0,0,2]=4 294 B3R0.1 C#[N+]CC CNP0559170.0 [2,0,0,0,0,0|1,0,1]=4 295 B3R0.1 C=C=CBr CNP0595246.0 [2,0,0,0,0,0|1,0,1]=4 296 B3R0.1 C=C=CC CNP0584937.0 [2,0,0,0,0,0|0,0,2]=4 297 B3R0.1 C=CC#N CNP0580732.0 [2,0,0,0,0,0|1,0,1]=4 298 B3R0.1 C=CC=C CNP0574781.0 [2,0,0,0,0,0|0,0,1]=3 299 B3R0.1 C=CC=O CNP0603221.0 [2,0,0,0,0,0|0,0,0]=2 300 B3R0.1 C=CC=S CNP0501678.0 [2,0,0,0,0,0|0,1,0]=3 301 B3R0.1 C=CCC CNP0490956.0 [2,0,0,0,0,0|0,0,0]=2 302 B3R0.1 C=CCN CNP0585503.0 [2,0,0,0,0,0|1,0,0]=3 303 B3R0.1 C=CCO CNP0561492.0 [2,0,0,0,0,0|0,0,1]=3 304 B3R0.1 C=CCS CNP0575677.0 [2,0,0,0,0,0|0,1,0]=3 305 B3R0.1 C=COC CNP0611794.0 [2,0,0,0,0,0|1,0,0]=3 306 B3R0.1 CC=CBr CNP0509639.0 [2,0,0,0,0,0|1,0,1]=4 307 B3R0.1 CC=CC CNP0597271.0 [2,0,0,0,0,0|0,0,2]=4 308 B3R0.1 CC=CS CNP0589530.0 [2,0,0,0,0,0|0,1,1]=4 309 B3R0.1 CCC#N CNP0564998.0 [2,0,0,0,0,0|1,0,1]=4 310 B3R0.1 CCC=O CNP0570013.0 [2,0,0,0,0,0|0,0,0]=2 311 B3R0.1 CCC=S CNP0546828.0 [2,0,0,0,0,0|0,1,0]=3 312 B3R0.1 CCCBr CNP0561445.0 [2,0,0,0,0,0|1,0,1]=4 313 B3R0.1 CCCC CNP0597736.0 [2,0,0,0,0,0|0,0,2]=4 314 B3R0.1 CCCI CNP0596010.0 [2,0,0,0,0,0|1,0,1]=4 315 B3R0.1 CCCN CNP0600530.0 [2,0,0,0,0,0|1,0,1]=4 316 B3R0.1 CCCO CNP0605151.0 [2,0,0,0,0,0|0,0,2]=4 317 B3R0.1 CCCS CNP0572992.0 [2,0,0,0,0,0|0,1,1]=4 318 B3R0.1 CCN=O CNP0552947.0 [2,0,0,0,0,0|1,0,0]=3 319 B3R0.1 CCNC CNP0563252.0 [2,0,0,0,0,0|1,0,1]=4 320 B3R0.1 CCOC CNP0484105.0 [2,0,0,0,0,0|1,0,1]=4 321 B3R0.1 CCOO CNP0591807.0 [2,0,0,0,0,0|1,0,1]=4 322 B3R0.1 CCSC CNP0596541.0 [2,0,0,0,0,0|1,0,1]=4 323 B3R0.1 CCSO CNP0559716.0 [2,0,0,0,0,0|1,0,1]=4 324 B3R0.1 CN=C=O CNP0542197.0 [2,0,0,0,0,0|1,0,1]=4 325 B3R0.1 CNC=O CNP0565671.0 [2,0,0,0,0,0|1,0,0]=3 326 B3R0.1 COC=O CNP0494242.0 [2,0,0,0,0,0|1,0,0]=3 327 B3R0.1 ClC=CCl CNP0610334.0 [2,0,0,0,0,0|2,0,0]=4 328 B3R0.1 ClCCBr CNP0493040.0 [2,0,0,0,0,0|2,0,0]=4 329 B3R0.1 ClCCCl CNP0592018.0 [2,0,0,0,0,0|2,0,0]=4 330 B3R0.1 N=CCN CNP0547283.0 [2,0,0,0,0,0|2,0,0]=4 331 B3R0.1 NC=CS CNP0577276.0 [2,0,0,0,0,0|1,1,0]=4 332 B3R0.1 NCC=O CNP0566697.0 [2,0,0,0,0,0|1,0,0]=3 333 B3R0.1 NCCN CNP0531974.0 [2,0,0,0,0,0|2,0,0]=4 334 B3R0.1 NCCO CNP0581653.0 [2,0,0,0,0,0|1,0,1]=4 335 B3R0.1 NCCS CNP0490978.0 [2,0,0,0,0,0|1,1,0]=4 336 B3R0.1 NCC[O] CNP0586934.0 [2,0,0,0,0,0|1,0,1]=4 337 B3R0.1 NNC=O CNP0501881.0 [2,0,0,0,0,0|2,0,0]=4 338 B3R0.1 O=CC=O CNP0605189.0 [2,0,0,0,0,0|1,0,0]=3 339 B3R0.1 O=CCBr CNP0516788.0 [2,0,0,0,0,0|1,0,0]=3 340 B3R0.1 O=CCO CNP0600524.0 [2,0,0,0,0,0|1,0,0]=3 341 B3R0.1 O=CCS CNP0591045.0 [2,0,0,0,0,0|1,0,0]=3 342 B3R0.1 OC=CO CNP0508859.0 [2,0,0,0,0,0|1,0,1]=4 343 B3R0.1 OCCCl CNP0532317.0 [2,0,0,0,0,0|1,0,1]=4 344 B3R0.1 OCCI CNP0489668.0 [2,0,0,0,0,0|1,0,1]=4 345 B3R0.1 OCCO CNP0484938.0 [2,0,0,0,0,0|1,0,1]=4 346 B3R0.1 OCCS CNP0576505.0 [2,0,0,0,0,0|1,0,1]=4 347 B3R0.1 SCCS CNP0506336.0 [2,0,0,0,0,0|1,1,0]=4 348 B5R0.1 C#CCC(=O)O CNP0049385.0 [1,1,0,0,0,0|0,0,2]=4 349 B5R0.1 C=C(Br)CCO CNP0595001.0 [1,1,0,0,0,0|0,0,1]=3 350 B5R0.1 C=C(C)C=CC CNP0348667.0 [1,1,0,0,0,0|1,0,1]=4 351 B5R0.1 C=C(C)CCC CNP0179329.0 [1,1,0,0,0,0|0,0,1]=3 352 B5R0.1 C=C(C)CCO CNP0285127.0 [1,1,0,0,0,0|0,0,1]=3 353 B5R0.1 C=C(O)CCC CNP0003382.0 [1,1,0,0,0,0|0,0,1]=3 354 B5R0.1 C=C([CH2-])CC#[O+] CNP0507131.0 [1,1,0,0,0,0|0,0,2]=4 355 B5R0.1 C=CC=C(C)C CNP0130651.0 [1,1,0,0,0,0|1,0,1]=4 356 B5R0.1 C=CCC(=O)C CNP0385825.0 [1,1,0,0,0,0|0,0,0]=2 357 B5R0.1 C=CCC(=O)N CNP0292806.0 [1,1,0,0,0,0|0,0,0]=2 358 B5R0.1 C=CCC(=O)O CNP0172155.0 [1,1,0,0,0,0|0,0,0]=2 359 B5R0.1 C=CCC(C)C CNP0293683.0 [1,1,0,0,0,0|0,0,1]=3 360 B5R0.1 C=CCC(C)O CNP0594112.0 [1,1,0,0,0,0|0,0,1]=3 361 B5R0.1 C=CCS(=S)O CNP0533091.0 [1,1,0,0,0,0|1,0,1]=4 362 B5R0.1 C=CC[S@+](C)[O-] CNP0483153.2 [1,1,0,0,0,0|1,0,1]=4 363 B5R0.1 C=CC[S@@+](C)[O-] CNP0483153.1 [1,1,0,0,0,0|1,0,1]=4 364 B5R0.1 C=COC(=O)C CNP0003526.0 [1,1,0,0,0,0|1,0,0]=3 365 B5R0.1 C=COC(C)C CNP0491165.0 [1,1,0,0,0,0|1,0,1]=4 366 B5R0.1 CC(=CC=O)C CNP0325416.0 [1,1,0,0,0,0|0,0,2]=4 367 B5R0.1 CC(=O)CCO CNP0251527.0 [1,1,0,0,0,0|1,0,0]=3 368 B5R0.1 CC(=O)CCS CNP0404753.0 [1,1,0,0,0,0|1,0,0]=3 369 B5R0.1 CC(=O)OCS CNP0547679.0 [1,1,0,0,0,0|2,0,0]=4 370 B5R0.1 CC(C)CC=O CNP0200023.0 [1,1,0,0,0,0|0,0,1]=3 371 B5R0.1 CC(C)OC=O CNP0079775.0 [1,1,0,0,0,0|1,0,1]=4 372 B5R0.1 CC=CC(=O)C CNP0158055.0 [1,1,0,0,0,0|0,0,2]=4 373 B5R0.1 CC=CC(=O)Cl CNP0018733.0 [1,1,0,0,0,0|0,0,2]=4 374 B5R0.1 CC=CC(=O)N CNP0376163.0 [1,1,0,0,0,0|0,0,2]=4 375 B5R0.1 CC=CC(=O)O CNP0379669.0 [1,1,0,0,0,0|0,0,2]=4 376 B5R0.1 CC=CC(=O)S CNP0128183.0 [1,1,0,0,0,0|0,0,2]=4 377 B5R0.1 CCCC(=O)C CNP0169448.0 [1,1,0,0,0,0|0,0,1]=3 378 B5R0.1 CCCC(=O)N CNP0115101.0 [1,1,0,0,0,0|0,0,1]=3 379 B5R0.1 CCCC(=O)O CNP0259447.0 [1,1,0,0,0,0|0,0,1]=3 380 B5R0.1 CCCC(=O)[O-] CNP0521413.0 [1,1,0,0,0,0|0,0,1]=3 381 B5R0.1 CCNC(=O)C CNP0260078.0 [1,1,0,0,0,0|1,0,1]=4 382 B5R0.1 CCOC(=O)C CNP0322418.0 [1,1,0,0,0,0|1,0,1]=4 383 B5R0.1 CCOC(=O)N CNP0336700.0 [1,1,0,0,0,0|1,0,1]=4 384 B5R0.1 CCOC(=O)O CNP0166515.0 [1,1,0,0,0,0|1,0,1]=4 385 B5R0.1 CCO[13C](=O)C CNP0577601.0 [1,1,0,0,0,0|1,0,1]=4 386 B5R0.1 CCSC(=O)C CNP0274861.0 [1,1,0,0,0,0|1,0,1]=4 387 B5R0.1 CNCC(=O)O CNP0307073.0 [1,1,0,0,0,0|1,0,1]=4 388 B5R0.1 CNCC(=O)O CNP0563704.0 [1,1,0,0,0,0|1,0,1]=4 389 B5R0.1 CNCC(=O)[O-] CNP0565920.0 [1,1,0,0,0,0|1,0,1]=4 390 B5R0.1 COCC(=O)C CNP0581024.0 [1,1,0,0,0,0|1,0,1]=4 391 B5R0.1 COCC(=O)O CNP0343219.0 [1,1,0,0,0,0|1,0,1]=4 392 B5R0.1 CSCC(=O)C CNP0002513.0 [1,1,0,0,0,0|1,0,1]=4 393 B5R0.1 CSCC(=O)O CNP0447839.0 [1,1,0,0,0,0|1,0,1]=4 394 B5R0.1 C[C@@H](O)CC=O CNP0197470.1 [1,1,0,0,0,0|0,0,1]=3 395 B5R0.1 C[Se]CC(=O)O CNP0526449.0 [1,1,0,0,0,0|1,0,1]=4 396 B5R0.1 C[Te]CC(=O)O CNP0537189.0 [1,1,0,0,0,0|1,0,1]=4 397 B5R0.1 N#CCC(=O)N CNP0086390.0 [1,1,0,0,0,0|1,0,1]=4 398 B5R0.1 N#CCC(=O)O CNP0269115.0 [1,1,0,0,0,0|1,0,1]=4 399 B5R0.1 NC(=O)C=CI CNP0204270.0 [1,1,0,0,0,0|1,0,1]=4 400 B5R0.1 NCCC(=O)O CNP0226336.0 [1,1,0,0,0,0|1,0,0]=3 401 B5R0.1 NCCP(=O)O CNP0498602.0 [1,1,0,0,0,0|2,0,0]=4 402 B5R0.1 NCC[S@@](=O)O CNP0211926.2 [1,1,0,0,0,0|2,0,0]=4 403 B5R0.1 NCC[S@](=O)O CNP0211926.1 [1,1,0,0,0,0|2,0,0]=4 404 B5R0.1 NCNC(=O)N CNP0046326.0 [1,1,0,0,0,0|2,0,0]=4 405 B5R0.1 NOCC(=O)O CNP0293826.0 [1,1,0,0,0,0|2,0,0]=4 406 B5R0.1 O=C(O)C=CBr CNP0310992.0 [1,1,0,0,0,0|1,0,1]=4 407 B5R0.1 O=C(O)C=CCl CNP0293481.0 [1,1,0,0,0,0|1,0,1]=4 408 B5R0.1 O=C(O)C=CI CNP0239582.0 [1,1,0,0,0,0|1,0,1]=4 409 B5R0.1 O=C(O)CCO CNP0228379.0 [1,1,0,0,0,0|1,0,0]=3 410 B5R0.1 O=C(O)CCS CNP0097385.0 [1,1,0,0,0,0|1,0,0]=3 411 B5R0.1 O=C(O)CNO CNP0316873.0 [1,1,0,0,0,0|2,0,0]=4 412 B5R0.1 O=CC=C(Br)Br CNP0270728.0 [1,1,0,0,0,0|1,0,1]=4 413 B5R0.1 O=CCC(=O)O CNP0149091.0 [1,1,0,0,0,0|1,0,0]=3 414 B5R0.1 O=[N+]([O-])CCO CNP0479078.0 [1,1,0,0,0,0|2,0,0]=4 415 B5R0.1 [C-]#[N+]CC(=O)O CNP0534475.0 [1,1,0,0,0,0|1,0,1]=4 416 B5R0.3 C=C(C=O)CC CNP0542605.0 [1,1,0,0,0,0|0,0,2]=4 417 B5R0.3 C=CC(=CC)C CNP0134384.0 [1,1,0,0,0,0|1,0,1]=4 418 B5R0.3 C=CC(=O)CC CNP0362181.0 [1,1,0,0,0,0|0,0,2]=4 419 B5R0.3 C=C[C@@H](O)C#N CNP0141220.1 [1,1,0,0,0,0|1,0,1]=4 420 B5R0.3 C=C[C@@H](O)CC CNP0331558.1 [1,1,0,0,0,0|0,0,1]=3 421 B5R0.3 C=C[C@H](C)CO CNP0600503.1 [1,1,0,0,0,0|0,0,1]=3 422 B5R0.3 C=C[C@H](O)C#N CNP0141220.2 [1,1,0,0,0,0|1,0,1]=4 423 B5R0.3 C=C[C@H](O)CC CNP0331558.2 [1,1,0,0,0,0|0,0,1]=3 424 B5R0.3 C=C[S+]([O-])C=C CNP0547152.0 [1,1,0,0,0,0|1,0,1]=4 425 B5R0.3 CC=C(C)C=O CNP0281160.0 [1,1,0,0,0,0|0,0,2]=4 426 B5R0.3 CCC(=O)C=O CNP0301331.0 [1,1,0,0,0,0|0,0,2]=4 427 B5R0.3 CC[C@@H](C)C=O CNP0220551.2 [1,1,0,0,0,0|0,0,1]=3 428 B5R0.3 CC[C@H](C)C=O CNP0220551.1 [1,1,0,0,0,0|0,0,1]=3 429 B5R0.3 CN(C=O)CO CNP0412364.0 [1,1,0,0,0,0|2,0,0]=4 430 B5R0.3 O=CC(=CO)O CNP0278717.0 [1,1,0,0,0,0|1,0,1]=4 431 B5R0.3 O=CC(O)C=O CNP0083225.0 [1,1,0,0,0,0|1,0,0]=3 432 B5R0.3 O=C[C@H](O)CO CNP0359959.1 [1,1,0,0,0,0|1,0,0]=3 433 B7R0.2 C=CC(C)CC(C)C CNP0104195.0 [0,2,0,0,0,0|1,0,1]=4 434 B7R0.2 C=C[C@H](O)CC(=O)O CNP0357372.1 [0,2,0,0,0,0|0,0,0]=2 435 B7R0.2 CC(=O)OC(C)C=O CNP0528164.0 [0,2,0,0,0,0|1,0,1]=4 436 B7R0.2 CC(C)CC(N)C=O CNP0502927.0 [0,2,0,0,0,0|0,0,2]=4 437 B7R0.2 CC(C)CC(N)C=O CNP0510216.0 [0,2,0,0,0,0|0,0,2]=4 438 B7R0.2 CC(C)CC(N)C=O CNP0549122.0 [0,2,0,0,0,0|0,0,2]=4 439 B7R0.2 CC(C)CC(N)C=O CNP0579101.0 [0,2,0,0,0,0|0,0,2]=4 440 B7R0.2 CC(C)CC(N)C=O CNP0579301.0 [0,2,0,0,0,0|0,0,2]=4 441 B7R0.2 CC(C)CC(N)C=O CNP0595026.0 [0,2,0,0,0,0|0,0,2]=4 442 B7R0.2 CC(C)C[C@H](C)C=O CNP0563358.1 [0,2,0,0,0,0|0,0,2]=4 443 B7R0.2 CC(CO)CC(=O)O CNP0350905.0 [0,2,0,0,0,0|1,0,1]=4 444 B7R0.2 CC=C(C)CC(=O)N CNP0143814.0 [0,2,0,0,0,0|0,0,2]=4 445 B7R0.2 CC=C(C)CC(=O)O CNP0178168.0 [0,2,0,0,0,0|0,0,2]=4 446 B7R0.2 CCC(C)CC(=O)C CNP0555982.0 [0,2,0,0,0,0|0,0,2]=4 447 B7R0.2 CC[C@@H](C)CC(=O)O CNP0258429.2 [0,2,0,0,0,0|0,0,2]=4 448 B7R0.2 CC[C@H](C)CC(=O)Cl CNP0111918.1 [0,2,0,0,0,0|0,0,2]=4 449 B7R0.2 CC[C@H](C)CC(=O)N CNP0105662.1 [0,2,0,0,0,0|0,0,2]=4 450 B7R0.2 CC[C@H](C)CC(=O)O CNP0258429.1 [0,2,0,0,0,0|0,0,2]=4 451 B7R0.2 CC[C@H](O)CC(=O)N CNP0018371.1 [0,2,0,0,0,0|0,0,2]=4 452 B7R0.2 CC[C@H](O)CC(=O)O CNP0308552.1 [0,2,0,0,0,0|0,0,2]=4 453 B7R0.2 C[C@@H](O)C[C@H](N)C=O CNP0116023.1 [0,2,0,0,0,0|0,0,2]=4 454 B7R0.2 C[C@H](O)C[C@H](N)C=O CNP0116023.2 [0,2,0,0,0,0|0,0,2]=4 455 B7R0.2 NC[C@@H](N)CC(=O)O CNP0190172.1 [0,2,0,0,0,0|1,0,1]=4 456 B7R0.2 NC[C@@H](O)CC(=O)O CNP0335183.1 [0,2,0,0,0,0|1,0,1]=4 457 B7R0.2 NC[C@H](N)CC(=O)O CNP0190172.2 [0,2,0,0,0,0|1,0,1]=4 458 B7R0.2 NC[C@H](O)CC(=O)O CNP0335183.2 [0,2,0,0,0,0|1,0,1]=4 459 B7R0.2 N[C@@H](CS)CC(=O)O CNP0534853.1 [0,2,0,0,0,0|1,0,1]=4 460 B7R0.2 N[C@H](C=O)CC(=O)O CNP0335008.1 [0,2,0,0,0,0|1,0,0]=3 461 B7R0.2 N[C@H](CO)CC(=O)O CNP0415784.1 [0,2,0,0,0,0|1,0,1]=4 462 B7R0.2 O=C(O)C[C@H](O)CO CNP0269358.1 [0,2,0,0,0,0|1,0,1]=4 463 B7R0.2 O=CN(O)CC(=O)O CNP0278033.0 [0,2,0,0,0,0|2,0,0]=4 464 B7R0.3 C=C(C=O)CCCC CNP0555185.0 [0,2,0,0,0,0|0,0,2]=4 465 B7R0.3 C=C(CC)CCCC CNP0084703.0 [0,2,0,0,0,0|1,0,1]=4 466 B7R0.3 C=CC(=C)CCC=O CNP0610455.0 [0,2,0,0,0,0|0,0,0]=2 467 B7R0.3 C=CC(=O)CCCC CNP0083902.0 [0,2,0,0,0,0|0,0,2]=4 468 B7R0.3 C=CC(C)CCCC CNP0354372.0 [0,2,0,0,0,0|1,0,1]=4 469 B7R0.3 C=CC(C)CN=C=S CNP0075379.0 [0,2,0,0,0,0|0,1,1]=4 470 B7R0.3 C=CC(Cl)CCCC CNP0275370.0 [0,2,0,0,0,0|1,0,1]=4 471 B7R0.3 C=CC=CC(C)C=C CNP0076743.0 [0,2,0,0,0,0|1,0,1]=4 472 B7R0.3 C=CCCC(=C)C=C CNP0603134.0 [0,2,0,0,0,0|1,0,0]=3 473 B7R0.3 C=CCCC(=O)OC CNP0383041.0 [0,2,0,0,0,0|0,0,0]=2 474 B7R0.3 C=CCC[C@@H](Br)CBr CNP0342549.2 [0,2,0,0,0,0|1,0,1]=4 475 B7R0.3 C=CCC[C@H](Br)CBr CNP0342549.1 [0,2,0,0,0,0|1,0,1]=4 476 B7R0.3 C=CCSC(=O)CC CNP0172366.0 [0,2,0,0,0,0|1,0,0]=3 477 B7R0.3 C=CCSS(=O)OC CNP0499912.0 [0,2,0,0,0,0|2,0,0]=4 478 B7R0.3 C=C[C@@H](O)CSC#N CNP0229436.1 [0,2,0,0,0,0|1,0,1]=4 479 B7R0.3 C=C[C@H](O)CCCC CNP0076908.1 [0,2,0,0,0,0|1,0,1]=4 480 B7R0.3 CCC(=O)CCSC CNP0003468.0 [0,2,0,0,0,0|1,0,1]=4 481 B7R0.3 CCCCC(=O)CC CNP0286726.0 [0,2,0,0,0,0|0,0,2]=4 482 B7R0.3 CCCCC(=O)OC CNP0184855.0 [0,2,0,0,0,0|0,0,2]=4 483 B7R0.3 CCCC[C@@H](C)C=O CNP0315338.1 [0,2,0,0,0,0|0,0,2]=4 484 B7R0.3 CCCC[C@H](N)C=O CNP0526620.1 [0,2,0,0,0,0|0,0,2]=4 485 B7R0.3 COC(=O)CCC#N CNP0076214.0 [0,2,0,0,0,0|1,0,1]=4 486 B7R0.3 COC(=O)CCC=O CNP0246367.0 [0,2,0,0,0,0|0,0,1]=3 487 B7R0.3 COC(=O)CCSC CNP0302353.0 [0,2,0,0,0,0|1,0,1]=4 488 B7R0.3 NC(C=O)CCC=O CNP0504605.0 [0,2,0,0,0,0|0,0,1]=3 489 B7R0.3 NC(C=O)CSN=O CNP0293255.0 [0,2,0,0,0,0|2,0,0]=4 490 B7R0.3 NC[C@@H](O)CC=C=O CNP0374257.1 [0,2,0,0,0,0|1,0,1]=4 491 B7R0.5 C#CC[C@@H](N)C(=O)O CNP0149987.1 [0,2,0,0,0,0|0,0,2]=4 492 B7R0.5 C#CC[C@H](N)C(=O)O CNP0149987.2 [0,2,0,0,0,0|0,0,2]=4 493 B7R0.5 C=C(C)C(C)C=CC CNP0579176.0 [0,2,0,0,0,0|1,0,1]=4 494 B7R0.5 C=C(C)C(C)CCC CNP0602061.0 [0,2,0,0,0,0|1,0,1]=4 495 B7R0.5 C=CC=C(O)C(=O)O CNP0566102.0 [0,2,0,0,0,0|0,0,2]=4 496 B7R0.5 C=CCC(C)C(=O)O CNP0293941.0 [0,2,0,0,0,0|0,0,0]=2 497 B7R0.5 C=CCC(C)C(C)C CNP0601967.0 [0,2,0,0,0,0|1,0,1]=4 498 B7R0.5 C=CC[C@@H](N)C(=O)O CNP0299155.1 [0,2,0,0,0,0|0,0,0]=2 499 B7R0.5 C=CC[C@H](N)C(=O)O CNP0299155.2 [0,2,0,0,0,0|0,0,0]=2 500 B7R0.5 CC=CC(C)C(=O)O CNP0085321.0 [0,2,0,0,0,0|0,0,2]=4 501 B7R0.5 CCCC(C)C(=O)C CNP0145602.0 [0,2,0,0,0,0|0,0,2]=4 502 B7R0.5 CCC[C@@H](C)C(=O)Cl CNP0181182.1 [0,2,0,0,0,0|0,0,2]=4 503 B7R0.5 CCC[C@@H](C)C(=O)N CNP0263004.1 [0,2,0,0,0,0|0,0,2]=4 504 B7R0.5 CCC[C@@H](C)C(=O)O CNP0218134.2 [0,2,0,0,0,0|0,0,2]=4 505 B7R0.5 CCC[C@@H](N)C(=O)O CNP0198245.2 [0,2,0,0,0,0|0,0,2]=4 506 B7R0.5 CCC[C@@H](O)C(=O)C CNP0171062.1 [0,2,0,0,0,0|0,0,2]=4 507 B7R0.5 CCC[C@H](C)C(=O)Cl CNP0181182.2 [0,2,0,0,0,0|0,0,2]=4 508 B7R0.5 CCC[C@H](C)C(=O)N CNP0263004.2 [0,2,0,0,0,0|0,0,2]=4 509 B7R0.5 CCC[C@H](C)C(=O)O CNP0218134.1 [0,2,0,0,0,0|0,0,2]=4 510 B7R0.5 CCC[C@H](N)C(=O)N CNP0559533.1 [0,2,0,0,0,0|0,0,2]=4 511 B7R0.5 CCC[C@H](N)C(=O)O CNP0198245.1 [0,2,0,0,0,0|0,0,2]=4 512 B7R0.5 CCC[C@H](O)C(=O)O CNP0107771.1 [0,2,0,0,0,0|0,0,2]=4 513 B7R0.5 CNC[C@@H](N)C(=O)O CNP0237559.2 [0,2,0,0,0,0|1,0,1]=4 514 B7R0.5 CNC[C@H](N)C(=O)O CNP0237559.1 [0,2,0,0,0,0|1,0,1]=4 515 B7R0.5 CSC[C@@H](N)C(=O)O CNP0391530.2 [0,2,0,0,0,0|1,0,1]=4 516 B7R0.5 CSC[C@H](N)C(=O)O CNP0391530.1 [0,2,0,0,0,0|1,0,1]=4 517 B7R0.5 C[C@@H](CCN)C(=O)O CNP0117278.1 [0,2,0,0,0,0|1,0,1]=4 518 B7R0.5 C[C@H](CCN)C(=O)O CNP0117278.2 [0,2,0,0,0,0|1,0,1]=4 519 B7R0.5 C[Se]C[C@H](N)C(=O)O CNP0420303.1 [0,2,0,0,0,0|1,0,1]=4 520 B7R0.5 N#CC[C@@H](N)C(=O)O CNP0254991.2 [0,2,0,0,0,0|1,0,1]=4 521 B7R0.5 N#CC[C@H](N)C(=O)O CNP0254991.1 [0,2,0,0,0,0|1,0,1]=4 522 B7R0.5 NC(C[S]=O)C(=O)O CNP0289741.0 [0,2,0,0,0,0|2,0,0]=4 523 B7R0.5 NCC[C@@H](N)C(=O)O CNP0283118.2 [0,2,0,0,0,0|1,0,1]=4 524 B7R0.5 NCC[C@H](N)C(=O)O CNP0283118.1 [0,2,0,0,0,0|1,0,1]=4 525 B7R0.5 NOCC(N)C(=O)O CNP0338620.0 [0,2,0,0,0,0|2,0,0]=4 526 B7R0.5 N[C@@H](CC=O)C(=O)O CNP0119915.1 [0,2,0,0,0,0|1,0,0]=3 527 B7R0.5 N[C@@H](CCO)C(=O)O CNP0287745.2 [0,2,0,0,0,0|1,0,1]=4 528 B7R0.5 N[C@@H](CCS)C(=O)O CNP0193002.1 [0,2,0,0,0,0|1,0,1]=4 529 B7R0.5 N[C@@H](CC[SeH])C(=O)O CNP0083667.1 [0,2,0,0,0,0|1,0,1]=4 530 B7R0.5 N[C@@H](CSO)C(=O)O CNP0559160.1 [0,2,0,0,0,0|2,0,0]=4 531 B7R0.5 N[C@@H](CSS)C(=O)O CNP0101794.1 [0,2,0,0,0,0|2,0,0]=4 532 B7R0.5 N[C@@H](CS[SeH])C(=O)O CNP0603953.1 [0,2,0,0,0,0|2,0,0]=4 533 B7R0.5 N[C@@H](C[S+]=O)C(=O)O CNP0587703.1 [0,2,0,0,0,0|2,0,0]=4 534 B7R0.5 N[C@H](CC=O)C(=O)O CNP0119915.2 [0,2,0,0,0,0|1,0,0]=3 535 B7R0.5 N[C@H](CCO)C(=O)O CNP0287745.3 [0,2,0,0,0,0|1,0,1]=4 536 B7R0.5 N[C@H](CCS)C(=O)O CNP0193002.2 [0,2,0,0,0,0|1,0,1]=4 537 B7R0.5 N[C@H](CSS)C(=O)O CNP0101794.2 [0,2,0,0,0,0|2,0,0]=4 538 B7R0.5 O=C(O)C(O)CCO CNP0218005.0 [0,2,0,0,0,0|1,0,1]=4 539 B7R0.5 O=CCC(=O)C(=O)O CNP0065471.0 [0,2,0,0,0,0|1,0,1]=4 540 B7R0.7 C=CCC(=CCC)C CNP0076324.0 [0,2,0,0,0,0|1,0,1]=4 541 B7R0.7 CC=CC(=CC=O)C CNP0360026.0 [0,2,0,0,0,0|0,0,2]=4 542 B7R0.7 CC=CC(C)CCC CNP0084706.0 [0,2,0,0,0,0|1,0,1]=4 543 B7R0.7 CC=CC(O)CCC CNP0324750.0 [0,2,0,0,0,0|1,0,1]=4 544 B7R0.7 CCCC(C)CC=O CNP0405888.0 [0,2,0,0,0,0|0,0,2]=4 545 B7R0.10 C=CC(S)C(S)C=C CNP0085880.0 [0,2,0,0,0,0|1,0,0]=3 546 B7R0.10 CCC(C)C(N)C=O CNP0141097.0 [0,2,0,0,0,0|0,0,2]=4 547 B7R0.10 CCC(S)C(C)C=O CNP0191585.0 [0,2,0,0,0,0|0,0,2]=4 548 B7R0.10 N[C@@H](C=O)[C@@H](O)CO CNP0312963.1 [0,2,0,0,0,0|1,0,1]=4 549 B7R0.10 O=C[C@H](O)[C@H](O)CO CNP0166180.1 [0,2,0,0,0,0|1,0,1]=4 550 B7R0.12 C=CCC(CC)CC CNP0564971.0 [0,2,0,0,0,0|1,0,1]=4 551 B7R0.12 C=C[C@@H](/C=C/C)CC CNP0401910.1 [0,2,0,0,0,0|1,0,1]=4 552 B7R0.12 O=CN[C@H](C=O)CS CNP0344446.1 [0,2,0,0,0,0|2,0,0]=4 553 B7R0.4 C=C(C)CCC=CC CNP0576117.0 [0,2,0,0,0,0|1,0,0]=3 554 B7R0.4 C=C(C)CCN=C=S CNP0114096.0 [0,2,0,0,0,0|0,1,1]=4 555 B7R0.4 C=C(O)CCCCC CNP0475201.0 [0,2,0,0,0,0|1,0,1]=4 556 B7R0.4 C=CCCCC(=O)O CNP0553840.0 [0,2,0,0,0,0|0,0,0]=2 557 B7R0.4 C=CCCCC(C)C CNP0359236.0 [0,2,0,0,0,0|1,0,1]=4 558 B7R0.4 C=CCCNC(=S)N CNP0147601.0 [0,2,0,0,0,0|0,1,0]=3 559 B7R0.4 C=CCNCC(=O)O CNP0542042.0 [0,2,0,0,0,0|0,0,0]=2 560 B7R0.4 CC(=CCOC=O)C CNP0041956.0 [0,2,0,0,0,0|1,0,0]=3 561 B7R0.4 CC(=O)CCCC=O CNP0331218.0 [0,2,0,0,0,0|0,0,1]=3 562 B7R0.4 CC(=O)NCCC=O CNP0100556.0 [0,2,0,0,0,0|0,0,1]=3 563 B7R0.4 CC(=O)OCCCS CNP0325111.0 [0,2,0,0,0,0|1,0,1]=4 564 B7R0.4 CC(C)CCNC=O CNP0473179.0 [0,2,0,0,0,0|0,0,2]=4 565 B7R0.4 CC(C)CCOC=O CNP0324042.0 [0,2,0,0,0,0|0,0,2]=4 566 B7R0.4 CC=CC=CC(=O)C CNP0332734.0 [0,2,0,0,0,0|0,0,2]=4 567 B7R0.4 CC=CC=CC(=O)O CNP0333361.0 [0,2,0,0,0,0|0,0,2]=4 568 B7R0.4 CC=CCCC(=O)O CNP0086055.0 [0,2,0,0,0,0|0,0,0]=2 569 B7R0.4 CCC=CCC(=O)C CNP0207647.0 [0,2,0,0,0,0|0,0,2]=4 570 B7R0.4 CCC=CCC(=O)O CNP0276461.0 [0,2,0,0,0,0|0,0,2]=4 571 B7R0.4 CCCCCC(=O)C CNP0240774.0 [0,2,0,0,0,0|0,0,2]=4 572 B7R0.4 CCCCCC(=O)N CNP0077222.0 [0,2,0,0,0,0|0,0,2]=4 573 B7R0.4 CCCCCC(=O)O CNP0210437.0 [0,2,0,0,0,0|0,0,2]=4 574 B7R0.4 CCCCC[14C](=O)O CNP0563421.0 [0,2,0,0,0,0|0,0,2]=4 575 B7R0.4 CCCCOC(=O)C CNP0158571.0 [0,2,0,0,0,0|0,0,2]=4 576 B7R0.4 CCOCCC(=O)C CNP0086134.0 [0,2,0,0,0,0|0,0,2]=4 577 B7R0.4 CCOCCC(=O)O CNP0566237.0 [0,2,0,0,0,0|0,0,2]=4 578 B7R0.4 CNCCCC(=O)O CNP0216187.0 [0,2,0,0,0,0|0,0,2]=4 579 B7R0.4 COCCCC(=O)C CNP0580201.0 [0,2,0,0,0,0|0,0,2]=4 580 B7R0.4 COCCOC(=O)C CNP0278807.0 [0,2,0,0,0,0|1,0,1]=4 581 B7R0.4 N#CCCCC(=O)N CNP0321231.0 [0,2,0,0,0,0|0,0,2]=4 582 B7R0.4 N#CCCCC(=O)O CNP0192028.0 [0,2,0,0,0,0|0,0,2]=4 583 B7R0.4 NC(=O)COCCO CNP0488363.0 [0,2,0,0,0,0|1,0,1]=4 584 B7R0.4 NCCCCC(=O)N CNP0001733.0 [0,2,0,0,0,0|0,0,2]=4 585 B7R0.4 NCCCCC(=O)O CNP0167970.0 [0,2,0,0,0,0|0,0,2]=4 586 B7R0.4 NCCNCC(=O)O CNP0461877.0 [0,2,0,0,0,0|1,0,1]=4 587 B7R0.4 NN=CNCC(=O)O CNP0018426.0 [0,2,0,0,0,0|2,0,0]=4 588 B7R0.4 O=C(O)CCCCO CNP0601188.0 [0,2,0,0,0,0|0,0,2]=4 589 B7R0.4 O=C(O)CNCCO CNP0333030.0 [0,2,0,0,0,0|1,0,1]=4 590 B7R0.4 O=CCCCC(=O)O CNP0051154.0 [0,2,0,0,0,0|0,0,1]=3 591 B7R0.6 C=C(C)CCC(=O)C CNP0003362.0 [0,2,0,0,0,0|0,0,0]=2 592 B7R0.6 CC(=CCC(=O)O)C CNP0178388.0 [0,2,0,0,0,0|0,0,2]=4 593 B7R0.6 CC(=O)CCC(=O)C CNP0291926.0 [0,2,0,0,0,0|0,0,1]=3 594 B7R0.6 CC(=O)CCC(=O)O CNP0267906.0 [0,2,0,0,0,0|0,0,1]=3 595 B7R0.6 CC(=O)CCC(=O)[O-] CNP0515624.0 [0,2,0,0,0,0|0,0,1]=3 596 B7R0.6 CC(=O)CCC(=O)[O-] CNP0577778.0 [0,2,0,0,0,0|0,0,1]=3 597 B7R0.6 CC(=O)CCC(C)C CNP0109911.0 [0,2,0,0,0,0|0,0,2]=4 598 B7R0.6 CC(=O)COC(=O)C CNP0316161.0 [0,2,0,0,0,0|1,0,1]=4 599 B7R0.6 CC(=O)NCC(=O)O CNP0232085.0 [0,2,0,0,0,0|1,0,1]=4 600 B7R0.6 CC(C)CCC(=O)Cl CNP0308408.0 [0,2,0,0,0,0|0,0,2]=4 601 B7R0.6 CC(C)CCC(=O)N CNP0148296.0 [0,2,0,0,0,0|0,0,2]=4 602 B7R0.6 CC(C)CCC(=O)O CNP0414918.0 [0,2,0,0,0,0|0,0,2]=4 603 B7R0.6 CS(C)CCC(=O)O CNP0168459.0 [0,2,0,0,0,0|1,0,1]=4 604 B7R0.6 C[C@H](O)CCC(=O)O CNP0154959.1 [0,2,0,0,0,0|0,0,2]=4 605 B7R0.6 C[NH+](C)CCC(=O)[O-] CNP0361663.0 [0,2,0,0,0,0|1,0,1]=4 606 B7R0.6 C[S+](C)CCC(=O)O CNP0349807.0 [0,2,0,0,0,0|1,0,1]=4 607 B7R0.6 C[S+](C)CCC(=O)O CNP0550706.0 [0,2,0,0,0,0|1,0,1]=4 608 B7R0.6 C[S+](C)CCC(=O)[O-] CNP0152869.0 [0,2,0,0,0,0|1,0,1]=4 609 B7R0.6 C[S+](C)CCC(=O)[O-] CNP0540473.0 [0,2,0,0,0,0|1,0,1]=4 610 B7R0.6 C[S@+]([O-])CCC(=O)O CNP0497394.1 [0,2,0,0,0,0|1,0,1]=4 611 B7R0.6 C[S](C)CCC(=O)O CNP0603322.0 [0,2,0,0,0,0|1,0,1]=4 612 B7R0.6 N=C(N)NCC(=O)O CNP0177921.0 [0,2,0,0,0,0|2,0,0]=4 613 B7R0.6 NC(=NCC(=O)O)N CNP0491691.0 [0,2,0,0,0,0|2,0,0]=4 614 B7R0.6 NC(=O)CCC(=O)N CNP0188909.0 [0,2,0,0,0,0|1,0,0]=3 615 B7R0.6 NC(=O)CCC(=O)O CNP0115008.0 [0,2,0,0,0,0|1,0,0]=3 616 B7R0.6 NC(=O)NCC(=O)O CNP0369831.0 [0,2,0,0,0,0|2,0,0]=4 617 B7R0.6 O=C(Br)CCC(=O)Br CNP0117937.0 [0,2,0,0,0,0|1,0,0]=3 618 B7R0.6 O=C(Cl)CCC(=O)Cl CNP0384530.0 [0,2,0,0,0,0|1,0,0]=3 619 B7R0.6 O=C(Cl)CC[N+](=O)[O-] CNP0468600.0 [0,2,0,0,0,0|2,0,0]=4 620 B7R0.6 O=C(O)CCC(=O)O CNP0332012.0 [0,2,0,0,0,0|1,0,0]=3 621 B7R0.6 O=C(O)CC[N+](=O)[O-] CNP0337272.0 [0,2,0,0,0,0|2,0,0]=4 622 B7R0.6 O=C(O)CNC(=O)O CNP0611653.0 [0,2,0,0,0,0|2,0,0]=4 623 B7R0.6 O=C([O-])CCC(=O)[O-] CNP0594813.0 [0,2,0,0,0,0|1,0,0]=3 624 B7R0.8 C=CCC[N+](C)(C)C CNP0507277.0 [0,2,0,0,0,0|2,0,0]=4 625 B7R0.8 C=CCOP(=O)(O)O CNP0204945.0 [0,2,0,0,0,0|2,0,0]=4 626 B7R0.8 C=CCOS(=O)(=S)O CNP0494537.0 [0,2,0,0,0,0|2,0,0]=4 627 B7R0.8 C=CCSS(=O)(=O)O CNP0080222.0 [0,2,0,0,0,0|2,0,0]=4 628 B7R0.1 C#CC=CCCCC CNP0076122.0 [0,2,0,0,0,0|1,0,1]=4 629 B7R0.1 C=CC=CCC=CC CNP0290357.0 [0,2,0,0,0,0|1,0,1]=4 630 B7R0.1 C=CC=CCCC=C CNP0365770.0 [0,2,0,0,0,0|1,0,0]=3 631 B7R0.1 C=CC=CCCCC CNP0084214.0 [0,2,0,0,0,0|1,0,1]=4 632 B7R0.1 C=CCCCC=CC CNP0076717.0 [0,2,0,0,0,0|1,0,0]=3 633 B7R0.1 C=CCCCCC=C CNP0118215.0 [0,2,0,0,0,0|1,0,0]=3 634 B7R0.1 C=CCCCCCC CNP0246919.0 [0,2,0,0,0,0|1,0,1]=4 635 B7R0.1 C=CCCCCCO CNP0075956.0 [0,2,0,0,0,0|0,0,2]=4 636 B7R0.1 C=CCCCN=C=S CNP0144953.0 [0,2,0,0,0,0|0,1,1]=4 637 B7R0.1 C=CCCN=CC=S CNP0091885.0 [0,2,0,0,0,0|0,1,0]=3 638 B7R0.1 C=CCSSC=CC CNP0226902.0 [0,2,0,0,0,0|1,0,1]=4 639 B7R0.1 C=CCSSCC=C CNP0311793.0 [0,2,0,0,0,0|1,0,0]=3 640 B7R0.1 C=CCSSCCC CNP0170059.0 [0,2,0,0,0,0|1,0,1]=4 641 B7R0.1 CC=CCC=CCO CNP0168622.0 [0,2,0,0,0,0|0,0,2]=4 642 B7R0.1 CC=CCCC=CC CNP0082120.0 [0,2,0,0,0,0|1,0,0]=3 643 B7R0.1 CC=CCCCCC CNP0199237.0 [0,2,0,0,0,0|1,0,1]=4 644 B7R0.1 CC=CCSCCC CNP0536250.0 [0,2,0,0,0,0|1,0,1]=4 645 B7R0.1 CCC=CC=CC=O CNP0276667.0 [0,2,0,0,0,0|0,0,2]=4 646 B7R0.1 CCC=CCCC=O CNP0265888.0 [0,2,0,0,0,0|0,0,0]=2 647 B7R0.1 CCC=CCCCC CNP0084702.0 [0,2,0,0,0,0|1,0,1]=4 648 B7R0.1 CCC=CCCCO CNP0003503.0 [0,2,0,0,0,0|0,0,2]=4 649 B7R0.1 CCCC=CCC=O CNP0201799.0 [0,2,0,0,0,0|0,0,2]=4 650 B7R0.1 CCCCC=CC=O CNP0210810.0 [0,2,0,0,0,0|0,0,2]=4 651 B7R0.1 CCCCC=CCO CNP0191159.0 [0,2,0,0,0,0|1,0,1]=4 652 B7R0.1 CCCCCCC=O CNP0243745.0 [0,2,0,0,0,0|0,0,2]=4 653 B7R0.1 CCCCCOC=O CNP0294368.0 [0,2,0,0,0,0|0,0,2]=4 654 B7R0.1 CCCCN=CC=S CNP0423600.0 [0,2,0,0,0,0|1,0,1]=4 655 B7R0.1 CCCC[N+]=CC=S CNP0578229.0 [0,2,0,0,0,0|1,0,1]=4 656 B7R0.1 O=CC=CC=CC=O CNP0204128.0 [0,2,0,0,0,0|0,0,2]=4 657 B7R0.1 O=CC=CC=CCO CNP0296757.0 [0,2,0,0,0,0|0,0,2]=4 658 B5R1.1 C1=CCC=C1 CNP0588646.0 [1,0,0,1,0,0|0,0,1]=3 659 B5R1.1 C1=CCCC1 CNP0534738.0 [1,0,0,1,0,0|0,0,1]=3 660 B5R1.1 C1=CCOC1 CNP0579994.0 [1,0,0,1,0,0|1,0,1]=4 661 B5R1.1 C1=CNC=C1 CNP0578490.0 [1,0,0,1,0,0|1,0,1]=4 662 B5R1.1 C1=CNC=N1 CNP0593616.0 [1,0,0,1,0,0|2,0,0]=4 663 B5R1.1 C1=CNCC1 CNP0527065.0 [1,0,0,1,0,0|1,0,0]=3 664 B5R1.1 C1=CNN=C1 CNP0583187.0 [1,0,0,1,0,0|2,0,0]=4 665 B5R1.1 C1=COC=C1 CNP0601420.0 [1,0,0,1,0,0|0,0,2]=4 666 B5R1.1 C1=COCC1 CNP0540644.0 [1,0,0,1,0,0|0,0,1]=3 667 B5R1.1 C1=CON=C1 CNP0611744.0 [1,0,0,1,0,0|2,0,0]=4 668 B5R1.1 C1=CSC=C1 CNP0604134.0 [1,0,0,1,0,0|0,1,1]=4 669 B5R1.1 C1=CSC=N1 CNP0495876.0 [1,0,0,1,0,0|1,1,0]=4 670 B5R1.1 C1=CSCC1 CNP0496655.0 [1,0,0,1,0,0|0,1,0]=3 671 B5R1.1 C1=CSCS1 CNP0479150.0 [1,0,0,1,0,0|1,1,0]=4 672 B5R1.1 C1=CSSC1 CNP0490976.0 [1,0,0,1,0,0|1,1,0]=4 673 B5R1.1 C1=C[N-]C=N1 CNP0495803.0 [1,0,0,1,0,0|2,0,0]=4 674 B5R1.1 C1=NCCC1 CNP0581055.0 [1,0,0,1,0,0|1,0,1]=4 675 B5R1.1 C1=PCCC1 CNP0609027.0 [1,0,0,1,0,0|1,0,1]=4 676 B5R1.2 O=C1CCO1 CNP0555602.0 [1,0,0,1,0,0|1,0,0]=3 677 B7R1.1 C=CC1OCCO1 CNP0206238.0 [0,1,0,1,0,0|0,0,2]=4 678 B7R1.1 CCC1=CCCC1 CNP0080677.0 [0,1,0,1,0,0|1,0,1]=4 679 B7R1.1 O=CC1=CC=CN1 CNP0105766.0 [0,1,0,1,0,0|0,0,2]=4 680 B7R1.1 O=CC1=CC=CO1 CNP0178160.0 [0,1,0,1,0,0|0,0,2]=4 681 B7R1.1 O=CC1=CC=CS1 CNP0079082.0 [0,1,0,1,0,0|0,0,2]=4 682 B7R1.1 O=CC1=COC=C1 CNP0234092.0 [0,1,0,1,0,0|0,0,2]=4 683 B7R1.1 O=CC1=CSC=C1 CNP0351223.0 [0,1,0,1,0,0|0,0,2]=4 684 B7R1.1 O=CN1C=CC=C1 CNP0265883.0 [0,1,0,1,0,0|0,0,2]=4 685 B7R1.1 O=CN1CCCC1 CNP0081536.0 [0,1,0,1,0,0|0,0,2]=4 686 B7R1.2 C=C1C=CC(=O)O1 CNP0331663.0 [0,1,0,1,0,0|0,0,2]=4 687 B7R1.2 CC1=CC(=O)CC1 CNP0317275.0 [0,1,0,1,0,0|0,0,0]=2 688 B7R1.2 CC1=CC(=O)CO1 CNP0257916.0 [0,1,0,1,0,0|1,0,0]=3 689 B7R1.2 CC1=CC(=O)OC1 CNP0565176.0 [0,1,0,1,0,0|1,0,0]=3 690 B7R1.2 CC1=CC(=S)CC1 CNP0042519.0 [0,1,0,1,0,0|0,1,0]=3 691 B7R1.2 CC1=CCC(=O)O1 CNP0256319.0 [0,1,0,1,0,0|0,0,2]=4 692 B7R1.2 CC1C=C(CC1)O CNP0082123.0 [0,1,0,1,0,0|0,0,2]=4 693 B7R1.2 CC1C=CC(=O)O1 CNP0003646.0 [0,1,0,1,0,0|1,0,0]=3 694 B7R1.2 CC1CC(=CS1)S CNP0301304.0 [0,1,0,1,0,0|1,1,0]=4 695 B7R1.2 CC1CCC(=O)C1 CNP0601005.0 [0,1,0,1,0,0|0,0,2]=4 696 B7R1.2 CC1CCC(=O)S1 CNP0014457.0 [0,1,0,1,0,0|0,0,2]=4 697 B7R1.2 CC1CNC(=O)C1 CNP0609130.0 [0,1,0,1,0,0|1,0,1]=4 698 B7R1.2 C[C@@H]1CCC(=O)O1 CNP0123835.1 [0,1,0,1,0,0|0,0,2]=4 699 B7R1.2 C[C@@H]1COC(=O)C1 CNP0323281.1 [0,1,0,1,0,0|1,0,1]=4 700 B7R1.2 C[C@H]1CCC(=O)O1 CNP0123835.2 [0,1,0,1,0,0|0,0,2]=4 701 B7R1.2 C[C@H]1COC(=O)C1 CNP0323281.2 [0,1,0,1,0,0|1,0,1]=4 702 B7R1.2 N=C1C=C[C@H](N1)O CNP0200378.1 [0,1,0,1,0,0|2,0,0]=4 703 B7R1.2 NC1=NC(=O)CN1 CNP0103299.0 [0,1,0,1,0,0|2,0,0]=4 704 B7R1.2 O=C1C=C(CO1)O CNP0181857.0 [0,1,0,1,0,0|1,0,0]=3 705 B7R1.2 O=C1C=CC(=O)C1 CNP0421080.0 [0,1,0,1,0,0|0,0,1]=3 706 B7R1.2 O=C1C=CC(=O)N1 CNP0413509.0 [0,1,0,1,0,0|1,0,1]=4 707 B7R1.2 O=C1C=CC(=O)O1 CNP0609075.0 [0,1,0,1,0,0|1,0,1]=4 708 B7R1.2 O=C1C=CC(C1)O CNP0594515.0 [0,1,0,1,0,0|0,0,0]=2 709 B7R1.2 O=C1C=C[C@H](N1)O CNP0582707.1 [0,1,0,1,0,0|1,0,0]=3 710 B7R1.2 O=C1CCC(=N1)O CNP0237840.0 [0,1,0,1,0,0|1,0,0]=3 711 B7R1.2 O=C1CCC(=O)C1 CNP0171251.0 [0,1,0,1,0,0|0,0,1]=3 712 B7R1.2 O=C1CCC(=O)N1 CNP0490149.0 [0,1,0,1,0,0|1,0,0]=3 713 B7R1.2 O=C1CCC(=O)O1 CNP0079889.0 [0,1,0,1,0,0|1,0,0]=3 714 B7R1.2 O=C1CC[C@@H](N1)O CNP0286097.2 [0,1,0,1,0,0|1,0,1]=4 715 B7R1.2 O=C1CC[C@H](N1)O CNP0286097.1 [0,1,0,1,0,0|1,0,1]=4 716 B7R1.2 O=C1CNC(=O)N1 CNP0327693.0 [0,1,0,1,0,0|2,0,0]=4 717 B7R1.2 O=C1CSC(=O)N1 CNP0570033.0 [0,1,0,1,0,0|2,0,0]=4 718 B7R1.2 O=C1CSC(=S)N1 CNP0208403.0 [0,1,0,1,0,0|2,0,0]=4 719 B7R1.2 O=C1C[C@@H](CN1)O CNP0188830.1 [0,1,0,1,0,0|1,0,1]=4 720 B7R1.2 O=C1C[C@@H](CO1)O CNP0174638.1 [0,1,0,1,0,0|1,0,1]=4 721 B7R1.2 O=C1C[C@H](CN1)O CNP0188830.2 [0,1,0,1,0,0|1,0,1]=4 722 B7R1.2 O=C1C[C@H](CO1)O CNP0174638.2 [0,1,0,1,0,0|1,0,1]=4 723 B7R1.2 OC1=NC(C=C1)O CNP0132128.0 [0,1,0,1,0,0|1,0,1]=4 724 B7R1.3 C=C1CCCCC1 CNP0312009.0 [0,1,0,1,0,0|1,0,1]=4 725 B7R1.3 CC1=CC=CCC1 CNP0238161.0 [0,1,0,1,0,0|1,0,0]=3 726 B7R1.3 CC1=CCC=CC1 CNP0481094.0 [0,1,0,1,0,0|1,0,1]=4 727 B7R1.3 CC1=CCCCC1 CNP0369235.0 [0,1,0,1,0,0|1,0,1]=4 728 B7R1.3 C[C@@H]1C=CC=CS1 CNP0200304.1 [0,1,0,1,0,0|2,0,0]=4 729 B7R1.3 C[C@@H]1CC=CCC1 CNP0110127.1 [0,1,0,1,0,0|1,0,1]=4 730 B7R1.3 C[C@H]1C=CC=CS1 CNP0200304.2 [0,1,0,1,0,0|2,0,0]=4 731 B7R1.3 NC1=NCNC=C1 CNP0199694.0 [0,1,0,1,0,0|2,0,0]=4 732 B7R1.3 O=C1C=CC=CC1 CNP0572434.0 [0,1,0,1,0,0|0,0,1]=3 733 B7R1.3 O=C1C=CC=CN1 CNP0533527.0 [0,1,0,1,0,0|0,0,2]=4 734 B7R1.3 O=C1C=CC=CO1 CNP0166350.0 [0,1,0,1,0,0|0,0,2]=4 735 B7R1.3 O=C1C=CC=NN1 CNP0517938.0 [0,1,0,1,0,0|1,0,1]=4 736 B7R1.3 O=C1C=CCCC1 CNP0212151.0 [0,1,0,1,0,0|0,0,0]=2 737 B7R1.3 O=C1C=CCCN1 CNP0306654.0 [0,1,0,1,0,0|0,0,0]=2 738 B7R1.3 O=C1C=CNC=C1 CNP0415820.0 [0,1,0,1,0,0|0,0,2]=4 739 B7R1.3 O=C1C=COC=C1 CNP0143392.0 [0,1,0,1,0,0|0,0,2]=4 740 B7R1.3 O=C1C=NC=CN1 CNP0318297.0 [0,1,0,1,0,0|1,0,1]=4 741 B7R1.3 O=C1CC=CCC1 CNP0481976.0 [0,1,0,1,0,0|0,0,0]=2 742 B7R1.3 O=C1CCC=CO1 CNP0002518.0 [0,1,0,1,0,0|0,0,0]=2 743 B7R1.3 O=C1CCCC=N1 CNP0335756.0 [0,1,0,1,0,0|0,0,1]=3 744 B7R1.3 O=C1CCCCC1 CNP0271526.0 [0,1,0,1,0,0|0,0,2]=4 745 B7R1.3 O=C1CCCCN1 CNP0142808.0 [0,1,0,1,0,0|0,0,2]=4 746 B7R1.3 O=C1CCCCO1 CNP0237404.0 [0,1,0,1,0,0|0,0,2]=4 747 B7R1.3 O=C1CCNCC1 CNP0212699.0 [0,1,0,1,0,0|0,0,2]=4 748 B7R1.3 O=C1COCCN1 CNP0517075.0 [0,1,0,1,0,0|1,0,1]=4 749 B7R1.3 O=C1CSC=CN1 CNP0032695.0 [0,1,0,1,0,0|1,0,0]=3 750 B7R1.3 OC1=CCCCC1 CNP0083987.0 [0,1,0,1,0,0|0,0,2]=4 751 B7R1.3 OC1=NCCC=C1 CNP0563692.0 [0,1,0,1,0,0|0,0,1]=3 752 B7R1.3 OC1CC=CCC1 CNP0198711.0 [0,1,0,1,0,0|0,0,2]=4 753 B7R1.3 O[C@@H]1C=CCCC1 CNP0239826.2 [0,1,0,1,0,0|0,0,2]=4 754 B7R1.3 O[C@H]1C=CCCC1 CNP0239826.1 [0,1,0,1,0,0|0,0,2]=4 755 B7R1.4 C=C1CCOC1=O CNP0195400.0 [0,1,0,1,0,0|0,0,0]=2 756 B7R1.4 C=C1COC[C@H]1O CNP0219379.1 [0,1,0,1,0,0|0,0,2]=4 757 B7R1.4 CC1=C(CCC1)C CNP0231911.0 [0,1,0,1,0,0|1,0,1]=4 758 B7R1.4 CC1=C(CCO1)S CNP0002471.0 [0,1,0,1,0,0|0,1,1]=4 759 B7R1.4 CC1=C(CCS1)S CNP0191881.0 [0,1,0,1,0,0|0,1,1]=4 760 B7R1.4 CC1=CCCC1=O CNP0196465.0 [0,1,0,1,0,0|0,0,0]=2 761 B7R1.4 CC1=CCOC1=O CNP0216253.0 [0,1,0,1,0,0|1,0,0]=3 762 B7R1.4 CC1=NCNC1=O CNP0353390.0 [0,1,0,1,0,0|1,0,1]=4 763 B7R1.4 CC1COCC1=O CNP0611227.0 [0,1,0,1,0,0|0,0,2]=4 764 B7R1.4 CC1SCCC1=O CNP0395315.0 [0,1,0,1,0,0|0,0,2]=4 765 B7R1.4 CN1CC=CC1=O CNP0611983.0 [0,1,0,1,0,0|1,0,0]=3 766 B7R1.4 CN1CCCC1=O CNP0203476.0 [0,1,0,1,0,0|0,0,2]=4 767 B7R1.4 C[C@@H]1CCCC1=O CNP0165073.2 [0,1,0,1,0,0|0,0,2]=4 768 B7R1.4 C[C@@H]1CCOC1=O CNP0290908.1 [0,1,0,1,0,0|0,0,2]=4 769 B7R1.4 C[C@@H]1OCCC1=O CNP0116291.1 [0,1,0,1,0,0|0,0,2]=4 770 B7R1.4 C[C@H]1CCCC1=O CNP0165073.1 [0,1,0,1,0,0|0,0,2]=4 771 B7R1.4 C[C@H]1CCOC1=O CNP0290908.2 [0,1,0,1,0,0|0,0,2]=4 772 B7R1.4 C[C@H]1OCCC1=O CNP0116291.2 [0,1,0,1,0,0|0,0,2]=4 773 B7R1.4 N[C@@H]1CCOC1=O CNP0258027.3 [0,1,0,1,0,0|1,0,1]=4 774 B7R1.4 N[C@@H]1CONC1=O CNP0204572.1 [0,1,0,1,0,0|2,0,0]=4 775 B7R1.4 N[C@H]1CCOC1=O CNP0258027.2 [0,1,0,1,0,0|1,0,1]=4 776 B7R1.4 N[C@H]1CCSC1=O CNP0082695.1 [0,1,0,1,0,0|1,0,1]=4 777 B7R1.4 N[C@H]1CONC1=O CNP0204572.2 [0,1,0,1,0,0|2,0,0]=4 778 B7R1.4 O=C1C=CCC1=O CNP0612212.0 [0,1,0,1,0,0|0,0,1]=3 779 B7R1.4 O=C1CCC=C1O CNP0104225.0 [0,1,0,1,0,0|0,0,0]=2 780 B7R1.4 O=C1CCCC1=O CNP0086052.0 [0,1,0,1,0,0|0,0,1]=3 781 B7R1.4 O=C1COCC1S CNP0188638.0 [0,1,0,1,0,0|1,0,1]=4 782 B7R1.4 O=C1NCC[C@H]1O CNP0289134.1 [0,1,0,1,0,0|1,0,1]=4 783 B7R1.4 O=C1OCC=C1O CNP0541078.0 [0,1,0,1,0,0|1,0,0]=3 784 B7R1.5 C=C1C[C@@H]1CC#N CNP0326254.1 [0,1,0,1,0,0|1,0,1]=4 785 B7R1.6 C=CC=C1C=CC1 CNP0487759.0 [0,1,0,1,0,0|1,0,1]=4 786 B7R1.12 C=C1CC1C(=O)C CNP0082059.0 [0,1,0,1,0,0|0,0,0]=2 787 B7R1.12 CC(=O)C1C=C1C CNP0335802.0 [0,1,0,1,0,0|0,0,2]=4 788 B7R1.12 CC1=N[C@H]1C(=O)O CNP0318344.1 [0,1,0,1,0,0|1,0,1]=4 789 B7R1.17 C[C@]1(CCC1=O)O CNP0198495.1 [0,1,0,1,0,0|0,0,2]=4 790 B7R1.18 CC(=O)C1CCS1 CNP0002501.0 [0,1,0,1,0,0|1,0,1]=4 791 B7R1.18 O=C(O)[C@@H]1CCN1 CNP0146840.1 [0,1,0,1,0,0|1,0,1]=4 792 B7R1.18 O=C(O)[C@H]1CCN1 CNP0146840.2 [0,1,0,1,0,0|1,0,1]=4 793 B7R1.24 C1=CC=CCC=C1 CNP0339463.0 [0,1,0,1,0,0|1,0,1]=4 794 B7R1.24 C1=CCCCC=C1 CNP0610332.0 [0,1,0,1,0,0|1,0,0]=3 795 B7R2.13 C1=CC2=C(C2)O1 CNP0583093.0 [0,0,0,2,0,0|0,0,2]=4