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(C)CCC=CC CNP0576117.0 [0,0,0,0,0,0|2,0,2]=4 2 B7R0.4 C=CCCCC(C)C CNP0359236.0 [0,0,0,0,0,0|2,0,2]=4 3 B7R0.4 CC(=CCOC=O)C CNP0041956.0 [0,0,0,0,0,0|0,0,0]=0 4 B7R0.4 CC(=O)CCCC=O CNP0331218.0 [0,0,0,0,0,0|2,0,1]=3 5 B7R0.4 CC(=O)NCCC=O CNP0100556.0 [0,0,0,0,0,0|3,0,0]=3 6 B7R0.4 CC(C)CCNC=O CNP0473179.0 [0,0,0,0,0,0|1,0,2]=3 7 B7R0.4 CC(C)CCOC=O CNP0324042.0 [0,0,0,0,0,0|0,0,2]=2 8 B7R0.4 CC(C)CCON=O CNP0341686.0 [0,0,0,0,0,0|1,0,2]=3 9 B7R0.4 CC=CC=CC(=O)C CNP0332734.0 [0,0,0,0,0,0|3,0,1]=4 10 B7R0.4 CCOCC=C(C)C CNP0002719.0 [0,0,0,0,0,0|1,0,1]=2 11 B7R0.4 CCOCCC(=O)C CNP0086134.0 [0,0,0,0,0,0|2,0,2]=4 12 B7R0.4 CCOCCC(C)C CNP0032749.0 [0,0,0,0,0,0|1,0,3]=4 13 B7R0.4 O=CCCCC(=O)O CNP0051154.0 [0,0,0,0,0,0|3,0,1]=4 14 B6R0.4 C=CCCC(=O)C CNP0610109.0 [1,0,0,0,0,0|2,0,1]=4 15 B6R0.4 C=CCOC(=O)C CNP0175648.0 [1,0,0,0,0,0|3,0,0]=4 16 B6R0.4 C=CCSC(=O)C CNP0301401.0 [1,0,0,0,0,0|3,0,0]=4 17 B6R0.4 C=CCSC(C)C CNP0309084.0 [1,0,0,0,0,0|2,0,1]=4 18 B6R0.4 CC(=CCC=O)C CNP0094675.0 [1,0,0,0,0,0|0,0,0]=1 19 B6R0.4 CC(=CCCN)C CNP0568876.0 [1,0,0,0,0,0|1,0,1]=3 20 B6R0.4 CC(=CCCO)C CNP0410779.0 [1,0,0,0,0,0|0,0,2]=3 21 B6R0.4 CC(=O)CCC=O CNP0261239.0 [1,0,0,0,0,0|1,0,1]=3 22 B6R0.4 CC(C)C=CC=O CNP0003528.0 [1,0,0,0,0,0|0,0,2]=3 23 B6R0.4 CC(C)CCC=O CNP0198082.0 [1,0,0,0,0,0|0,0,2]=3 24 B6R0.4 CC(C)CNC=O CNP0473867.0 [1,0,0,0,0,0|1,0,1]=3 25 B6R0.4 CC(C)COC=O CNP0232692.0 [1,0,0,0,0,0|0,0,1]=2 26 B6R0.4 CC(C)CON=O CNP0224607.0 [1,0,0,0,0,0|1,0,1]=3 27 B6R0.4 CC=CC=C(C)C CNP0318303.0 [1,0,0,0,0,0|1,0,1]=3 28 B6R0.4 CC=CCC(C)C CNP0081831.0 [1,0,0,0,0,0|2,0,1]=4 29 B6R0.4 CCCC=C(C)O CNP0268446.0 [1,0,0,0,0,0|2,0,1]=4 30 B6R0.4 COCC=C(C)C CNP0493784.0 [1,0,0,0,0,0|0,0,1]=2 31 B6R0.4 COCCC(C)C CNP0316382.0 [1,0,0,0,0,0|0,0,3]=4 32 B6R0.4 COCCN(C)C CNP0429553.0 [1,0,0,0,0,0|1,0,2]=4 33 B6R0.4 C[S+](C)CCC=O CNP0136791.0 [1,0,0,0,0,0|1,0,1]=3 34 B6R0.4 N=C(N)NCC=O CNP0478435.0 [1,0,0,0,0,0|3,0,0]=4 35 B6R0.4 O=CCCC(=O)O CNP0318740.0 [1,0,0,0,0,0|2,0,1]=4 36 B6R0.4 O=CNCC(=O)O CNP0082901.0 [1,0,0,0,0,0|3,0,0]=4 37 B6R0.6 C=CC#CC=CC CNP0360102.0 [1,0,0,0,0,0|2,0,1]=4 38 B6R0.6 C=CC=CC=CC CNP0610379.0 [1,0,0,0,0,0|2,0,1]=4 39 B6R0.6 C=CCCC=CC CNP0426808.0 [1,0,0,0,0,0|2,0,0]=3 40 B6R0.6 C=COCCCC CNP0077236.0 [1,0,0,0,0,0|1,0,2]=4 41 B6R0.6 CC=CC=CC=O CNP0182801.0 [1,0,0,0,0,0|1,0,1]=3 42 B6R0.6 CC=CCCC=O CNP0056069.0 [1,0,0,0,0,0|1,0,0]=2 43 B6R0.6 CC=CCCCC CNP0158475.0 [1,0,0,0,0,0|2,0,1]=4 44 B6R0.6 CC=CCCCO CNP0309139.0 [1,0,0,0,0,0|1,0,2]=4 45 B6R0.6 CC=CCSCC CNP0575773.0 [1,0,0,0,0,0|1,1,1]=4 46 B6R0.6 CC=COC=CC CNP0612224.0 [1,0,0,0,0,0|3,0,0]=4 47 B6R0.6 CC=CSC=CC CNP0002507.0 [1,0,0,0,0,0|3,0,0]=4 48 B6R0.6 CCC=C=CC=O CNP0611366.0 [1,0,0,0,0,0|1,0,2]=4 49 B6R0.6 CCC=CCC=O CNP0227189.0 [1,0,0,0,0,0|1,0,2]=4 50 B6R0.6 CCCCCC=O CNP0304790.0 [1,0,0,0,0,0|1,0,2]=4 51 B6R0.6 CCCCNC=O CNP0082472.0 [1,0,0,0,0,0|1,0,2]=4 52 B6R0.6 CCCCOC=O CNP0282325.0 [1,0,0,0,0,0|0,0,2]=3 53 B6R0.6 CCCCON=O CNP0003508.0 [1,0,0,0,0,0|1,0,2]=4 54 B6R0.6 CSCCCC=O CNP0002814.0 [1,0,0,0,0,0|2,0,1]=4 55 B6R0.6 O=CCCCC=O CNP0204417.0 [1,0,0,0,0,0|2,0,1]=4 56 B8R0.5 CCOC(=O)C=C(C)C CNP0502082.0 [0,1,0,0,0,0|1,0,2]=4 57 B8R0.6 CC(=CC=CC=O)CO CNP0246608.0 [0,1,0,0,0,0|1,0,1]=3 58 B8R0.7 C=CCCC=CC(=O)C CNP0360839.0 [0,1,0,0,0,0|3,0,0]=4 59 B8R0.7 CC(=CCCCC=O)C CNP0514464.0 [0,1,0,0,0,0|1,0,0]=2 60 B8R0.7 CC(=O)NCCCC=O CNP0083670.0 [0,1,0,0,0,0|2,0,1]=4 61 B8R0.7 CC(C)CCCCC=O CNP0244483.0 [0,1,0,0,0,0|1,0,2]=4 62 B8R0.7 CC=CC=CC=C(C)C CNP0533227.0 [0,1,0,0,0,0|2,0,1]=4 63 B8R0.7 CC=CCC=CC(=O)C CNP0611711.0 [0,1,0,0,0,0|3,0,0]=4 64 B8R0.7 CCCCCC=C(C)C CNP0153071.0 [0,1,0,0,0,0|2,0,1]=4 65 B8R0.7 CCOCC=CC(C)C CNP0076367.0 [0,1,0,0,0,0|1,0,2]=4 66 B8R0.8 C=C(CC=CC)C(C)C CNP0184653.0 [0,1,0,0,0,0|2,0,1]=4 67 B8R0.9 CC(=CN[C@H](N)C=N)C CNP0166552.1 [0,1,0,0,0,0|3,0,0]=4 68 B8R0.9 CCC(=O)CC=C(C)C CNP0559660.0 [0,1,0,0,0,0|2,0,1]=4 69 B8R0.9 COC(=O)CC=C(C)C CNP0248108.0 [0,1,0,0,0,0|3,0,0]=4 70 B8R0.21 CC(C)(S)CCOC=O CNP0002927.0 [0,1,0,0,0,0|0,0,2]=3 71 B8R0.21 C[N+](C)(C)CCCC=O CNP0530420.0 [0,1,0,0,0,0|2,0,1]=4 72 B8R0.28 C=C(C)CCC=C(C)C CNP0075848.0 [0,1,0,0,0,0|2,0,0]=3 73 B8R0.28 C=C(C)CCCC(=O)C CNP0188769.0 [0,1,0,0,0,0|1,0,2]=4 74 B8R0.28 C=C(C)CCOC(=O)C CNP0331473.0 [0,1,0,0,0,0|0,0,2]=3 75 B8R0.28 CC(=CCC=C(C)C)C CNP0564316.0 [0,1,0,0,0,0|2,0,0]=3 76 B8R0.28 CC(=CCC[C@@H](C)O)C CNP0250398.2 [0,1,0,0,0,0|1,0,2]=4 77 B8R0.28 CC(=CCC[C@H](C)O)C CNP0250398.1 [0,1,0,0,0,0|1,0,2]=4 78 B8R0.28 CC(=CCN=C(N)N)C CNP0252546.0 [0,1,0,0,0,0|2,0,0]=3 79 B8R0.28 CC(=CCNC(=N)N)C CNP0549417.0 [0,1,0,0,0,0|2,0,0]=3 80 B8R0.28 CC(=CCNC(=O)N)C CNP0278805.0 [0,1,0,0,0,0|1,0,0]=2 81 B8R0.28 CC(=O)C#CC=C(C)C CNP0173705.0 [0,1,0,0,0,0|1,0,1]=3 82 B8R0.28 CC(=O)C=CC=C(C)C CNP0275973.0 [0,1,0,0,0,0|1,0,1]=3 83 B8R0.28 CC(=O)CCC=C(C)C CNP0330890.0 [0,1,0,0,0,0|1,0,0]=2 84 B8R0.28 CC(=O)CCCC(=O)C CNP0084433.0 [0,1,0,0,0,0|2,0,1]=4 85 B8R0.28 CC(=O)CCCC(=O)O CNP0456571.0 [0,1,0,0,0,0|2,0,1]=4 86 B8R0.28 CC(=O)CCCC(C)C CNP0354382.0 [0,1,0,0,0,0|1,0,2]=4 87 B8R0.28 CC(=O)CCOC(=O)C CNP0480131.0 [0,1,0,0,0,0|1,0,1]=3 88 B8R0.28 CC(=O)NCCC(=O)O CNP0454986.0 [0,1,0,0,0,0|3,0,0]=4 89 B8R0.28 CC(=O)NCCC(C)C CNP0189958.0 [0,1,0,0,0,0|1,0,2]=4 90 B8R0.28 CC(=O)OCC=C(C)C CNP0164397.0 [0,1,0,0,0,0|0,0,0]=1 91 B8R0.28 CC(=O)OCCC(C)C CNP0303079.0 [0,1,0,0,0,0|0,0,2]=3 92 B8R0.28 CC(=O)OCCC(C)S CNP0003245.0 [0,1,0,0,0,0|1,0,2]=4 93 B8R0.28 CC(=O)OCN=[N+](C)[O-] CNP0040198.0 [0,1,0,0,0,0|3,0,0]=4 94 B8R0.28 CC(=O)SCC=C(C)C CNP0138994.0 [0,1,0,0,0,0|0,1,0]=2 95 B8R0.28 CC(=S)OCCC(C)C CNP0547891.0 [0,1,0,0,0,0|0,1,2]=4 96 B8R0.28 CC(C)C=CCC(=O)O CNP0441019.0 [0,1,0,0,0,0|1,0,2]=4 97 B8R0.28 CC(C)CCCC(=O)N CNP0540876.0 [0,1,0,0,0,0|1,0,2]=4 98 B8R0.28 CC(C)CCCC(=O)O CNP0255582.0 [0,1,0,0,0,0|1,0,2]=4 99 B8R0.28 CC(C)CCCC(=O)S CNP0536483.0 [0,1,0,0,0,0|1,0,2]=4 100 B8R0.28 CN(C)CCCC(=O)O CNP0321126.0 [0,1,0,0,0,0|2,0,1]=4 101 B8R1.1 CC1=CC=C(N1)C=O CNP0263778.0 [0,0,0,1,0,0|2,0,1]=4 102 B8R1.1 CC1=CC=C(O1)C=O CNP0142902.0 [0,0,0,1,0,0|2,0,1]=4 103 B8R1.1 CC1=CC=C(S1)C=O CNP0611712.0 [0,0,0,1,0,0|2,0,1]=4 104 B8R1.4 CC1=CC(=O)CCC1 CNP0209762.0 [0,0,0,1,0,0|1,0,2]=4 105 B8R1.4 CC1=CC(=O)CCO1 CNP0226568.0 [0,0,0,1,0,0|2,0,1]=4 106 B8R1.4 CC1=CC(=O)OCC1 CNP0413900.0 [0,0,0,1,0,0|0,0,2]=3 107 B8R1.4 CC1=CC=NC(=O)N1 CNP0522184.0 [0,0,0,1,0,0|2,0,1]=4 108 B8R1.4 CC1=CCCC(=C1)C CNP0118398.0 [0,0,0,1,0,0|2,0,1]=4 109 B8R1.4 CC1=CCCC(=O)C1 CNP0076330.0 [0,0,0,1,0,0|1,0,0]=2 110 B8R1.4 CC1=CCCC(C1)O CNP0351530.0 [0,0,0,1,0,0|1,0,2]=4 111 B8R1.4 CC1=CSCC(=O)N1 CNP0035027.0 [0,0,0,1,0,0|3,0,0]=4 112 B8R1.4 CC1CCOC(=O)C1 CNP0282964.0 [0,0,0,1,0,0|0,0,2]=3 113 B8R1.4 C[C@@H]1CCCC(=O)C1 CNP0243495.2 [0,0,0,1,0,0|1,0,2]=4 114 B8R1.4 C[C@H]1CCCC(=O)C1 CNP0243495.1 [0,0,0,1,0,0|1,0,2]=4 115 B8R1.4 O=C1C=C(CCO1)O CNP0610564.0 [0,0,0,1,0,0|1,0,2]=4 116 B8R1.4 O=C1C=COC(=O)O1 CNP0127081.0 [0,0,0,1,0,0|2,0,1]=4 117 B8R1.7 CC(=C1C=CC=C1)C CNP0510887.0 [0,0,0,1,0,0|2,0,1]=4 118 B8R1.19 CC1(CCCC1=O)C CNP0560087.0 [0,0,0,1,0,0|1,0,2]=4 119 B5R0.1 C=C(C)C=CC CNP0348667.0 [2,0,0,0,0,0|1,0,1]=4 120 B5R0.1 C=C(C)CCO CNP0285127.0 [2,0,0,0,0,0|0,0,2]=4 121 B5R0.1 C=CC=C(C)C CNP0130651.0 [2,0,0,0,0,0|0,0,1]=3 122 B5R0.1 C=CCC(=O)C CNP0385825.0 [2,0,0,0,0,0|2,0,0]=4 123 B5R0.1 C=CCC(C)C CNP0293683.0 [2,0,0,0,0,0|1,0,1]=4 124 B5R0.1 C=COC(=O)C CNP0003526.0 [2,0,0,0,0,0|2,0,0]=4 125 B5R0.1 C=COC(C)C CNP0491165.0 [2,0,0,0,0,0|1,0,1]=4 126 B5R0.1 CC(=CC#N)C CNP0294715.0 [2,0,0,0,0,0|1,0,1]=4 127 B5R0.1 CC(=CC=O)C CNP0325416.0 [2,0,0,0,0,0|0,0,0]=2 128 B5R0.1 CC(=CCO)C CNP0241702.0 [2,0,0,0,0,0|0,0,0]=2 129 B5R0.1 CC(=CCS)C CNP0262600.0 [2,0,0,0,0,0|0,1,0]=3 130 B5R0.1 CC(=O)C=NO CNP0397193.0 [2,0,0,0,0,0|2,0,0]=4 131 B5R0.1 CC(=O)CCO CNP0251527.0 [2,0,0,0,0,0|1,0,1]=4 132 B5R0.1 CC(C)C=CO CNP0546358.0 [2,0,0,0,0,0|0,0,2]=4 133 B5R0.1 CC(C)C=NO CNP0180575.0 [2,0,0,0,0,0|1,0,1]=4 134 B5R0.1 CC(C)CC=O CNP0200023.0 [2,0,0,0,0,0|0,0,1]=3 135 B5R0.1 CC(C)CCO CNP0115711.0 [2,0,0,0,0,0|0,0,2]=4 136 B5R0.1 CC(C)OC=O CNP0079775.0 [2,0,0,0,0,0|0,0,1]=3 137 B5R0.1 CC=CC(=O)C CNP0158055.0 [2,0,0,0,0,0|2,0,0]=4 138 B5R0.1 CC=CC(C)C CNP0513218.0 [2,0,0,0,0,0|1,0,1]=4 139 B5R0.1 CCC=C(C)C CNP0331653.0 [2,0,0,0,0,0|0,0,1]=3 140 B5R0.1 CCC=C(C)O CNP0225775.0 [2,0,0,0,0,0|1,0,1]=4 141 B5R0.1 CN(C)CCO CNP0230038.0 [2,0,0,0,0,0|1,0,1]=4 142 B5R0.1 COCC(=O)C CNP0581024.0 [2,0,0,0,0,0|1,0,1]=4 143 B5R0.1 COCC(C)C CNP0528468.0 [2,0,0,0,0,0|0,0,2]=4 144 B5R0.1 C[C@@H](O)CC=O CNP0197470.1 [2,0,0,0,0,0|1,0,1]=4 145 B5R0.1 O=CC=C(Br)Br CNP0270728.0 [2,0,0,0,0,0|2,0,0]=4 146 B5R0.1 O=CCC(=O)O CNP0149091.0 [2,0,0,0,0,0|2,0,0]=4 147 B5R0.2 C=C=CCC=O CNP0509236.0 [2,0,0,0,0,0|0,0,2]=4 148 B5R0.2 C=CC=CC=O CNP0022566.0 [2,0,0,0,0,0|0,0,2]=4 149 B5R0.2 C=CCC=CC CNP0292090.0 [2,0,0,0,0,0|1,0,0]=3 150 B5R0.2 C=CCCC=C CNP0079781.0 [2,0,0,0,0,0|2,0,0]=4 151 B5R0.2 C=CCCC=O CNP0076959.0 [2,0,0,0,0,0|1,0,0]=3 152 B5R0.2 C=CCOC=C CNP0367857.0 [2,0,0,0,0,0|1,0,0]=3 153 B5R0.2 C=CCOC=O CNP0541341.0 [2,0,0,0,0,0|0,0,0]=2 154 B5R0.2 CC=CC=CC CNP0611428.0 [2,0,0,0,0,0|1,0,1]=4 155 B5R0.2 CC=CCC#N CNP0080085.0 [2,0,0,0,0,0|1,0,1]=4 156 B5R0.2 CC=CCC=O CNP0167409.0 [2,0,0,0,0,0|0,0,0]=2 157 B5R0.2 CC=CCCC CNP0419577.0 [2,0,0,0,0,0|1,0,1]=4 158 B5R0.2 CC=CCCO CNP0253382.0 [2,0,0,0,0,0|0,0,2]=4 159 B5R0.2 CCC=CC=O CNP0328747.0 [2,0,0,0,0,0|0,0,2]=4 160 B5R0.2 CCCCC=O CNP0361186.0 [2,0,0,0,0,0|0,0,2]=4 161 B5R0.2 CCCOC=O CNP0326097.0 [2,0,0,0,0,0|0,0,1]=3 162 B5R0.2 CSCCC=O CNP0136743.0 [2,0,0,0,0,0|1,0,1]=4 163 B5R0.2 O=CCCC=O CNP0053830.0 [2,0,0,0,0,0|1,0,1]=4 164 B7R0.2 CC(=CC(C)C)C=O CNP0076574.0 [1,1,0,0,0,0|0,0,2]=4 165 B7R0.2 CC(=O)OC(C)C=O CNP0528164.0 [1,1,0,0,0,0|2,0,0]=4 166 B7R0.2 CC(C)CC(N)C=O CNP0502927.0 [1,1,0,0,0,0|0,0,2]=4 167 B7R0.2 CC(C)CC(N)C=O CNP0510216.0 [1,1,0,0,0,0|0,0,2]=4 168 B7R0.2 CC(C)CC(N)C=O CNP0549122.0 [1,1,0,0,0,0|0,0,2]=4 169 B7R0.2 CC(C)CC(N)C=O CNP0579101.0 [1,1,0,0,0,0|0,0,2]=4 170 B7R0.2 CC(C)CC(N)C=O CNP0579301.0 [1,1,0,0,0,0|0,0,2]=4 171 B7R0.2 CC(C)CC(N)C=O CNP0595026.0 [1,1,0,0,0,0|0,0,2]=4 172 B7R0.2 CC(C)C[C@H](C)C=O CNP0563358.1 [1,1,0,0,0,0|0,0,2]=4 173 B7R0.2 COC(=O)C=C(C)C CNP0329537.0 [1,1,0,0,0,0|0,0,2]=4 174 B7R0.3 CCC(=O)C=CC=O CNP0194060.0 [1,1,0,0,0,0|1,0,1]=4 175 B7R0.3 CCCC=C(C)CC CNP0263169.0 [1,1,0,0,0,0|1,0,1]=4 176 B7R0.3 COC(=O)CCC=O CNP0246367.0 [1,1,0,0,0,0|1,0,1]=4 177 B7R0.3 COCC=C(C)CO CNP0311126.0 [1,1,0,0,0,0|0,0,1]=3 178 B7R0.5 CC(=O)C(=CC=O)C CNP0268204.0 [1,1,0,0,0,0|1,0,1]=4 179 B7R0.5 O=CCC(=O)C(=O)O CNP0065471.0 [1,1,0,0,0,0|2,0,0]=4 180 B7R0.6 C=C(C)CCC(=O)C CNP0003362.0 [1,1,0,0,0,0|0,0,2]=4 181 B7R0.6 CC(=CC=C(C)C)C CNP0084726.0 [1,1,0,0,0,0|1,0,1]=4 182 B7R0.6 CC(=CCC(=O)O)C CNP0178388.0 [1,1,0,0,0,0|0,0,0]=2 183 B7R0.6 CC(=O)C=CC(=O)C CNP0303603.0 [1,1,0,0,0,0|1,0,1]=4 184 B7R0.6 CC(=O)C=CC(=O)O CNP0237218.0 [1,1,0,0,0,0|1,0,1]=4 185 B7R0.6 CC(=O)C=CC(C)C CNP0282647.0 [1,1,0,0,0,0|0,0,2]=4 186 B7R0.6 CC(=O)CCC(=O)C CNP0291926.0 [1,1,0,0,0,0|1,0,1]=4 187 B7R0.6 CC(=O)CCC(=O)O CNP0267906.0 [1,1,0,0,0,0|1,0,1]=4 188 B7R0.6 CC(=O)CCC(=O)[O-] CNP0515624.0 [1,1,0,0,0,0|1,0,1]=4 189 B7R0.6 CC(=O)CCC(=O)[O-] CNP0577778.0 [1,1,0,0,0,0|1,0,1]=4 190 B7R0.6 CC(=O)CCC(C)C CNP0109911.0 [1,1,0,0,0,0|0,0,2]=4 191 B7R0.6 CC(=O)COC(=O)C CNP0316161.0 [1,1,0,0,0,0|1,0,0]=3 192 B7R0.6 CC(=O)COC(C)C CNP0500658.0 [1,1,0,0,0,0|1,0,1]=4 193 B7R0.6 CC(=O)NCC(=O)O CNP0232085.0 [1,1,0,0,0,0|2,0,0]=4 194 B7R0.6 CC(=O)NCC(C)C CNP0330824.0 [1,1,0,0,0,0|1,0,1]=4 195 B7R0.6 CC(=O)NOC(=O)C CNP0050805.0 [1,1,0,0,0,0|2,0,0]=4 196 B7R0.6 CC(=O)OCC(C)C CNP0233943.0 [1,1,0,0,0,0|0,0,1]=3 197 B7R0.6 CC(=O)OOC(=O)C CNP0196667.0 [1,1,0,0,0,0|2,0,0]=4 198 B7R0.6 CC(C)C=CC(=O)Cl CNP0373188.0 [1,1,0,0,0,0|0,0,2]=4 199 B7R0.6 CC(C)C=CC(=O)O CNP0205254.0 [1,1,0,0,0,0|0,0,2]=4 200 B7R0.6 CC(C)CCC(=O)Cl CNP0308408.0 [1,1,0,0,0,0|0,0,2]=4 201 B7R0.6 CC(C)CCC(=O)N CNP0148296.0 [1,1,0,0,0,0|0,0,2]=4 202 B7R0.6 CC(C)CCC(=O)O CNP0414918.0 [1,1,0,0,0,0|0,0,2]=4 203 B7R0.6 CS(C)CCC(=O)O CNP0168459.0 [1,1,0,0,0,0|1,0,1]=4 204 B7R0.6 C[NH+](C)CCC(=O)[O-] CNP0361663.0 [1,1,0,0,0,0|1,0,1]=4 205 B7R0.6 C[S+](C)CCC(=O)O CNP0349807.0 [1,1,0,0,0,0|1,0,1]=4 206 B7R0.6 C[S+](C)CCC(=O)O CNP0550706.0 [1,1,0,0,0,0|1,0,1]=4 207 B7R0.6 C[S+](C)CCC(=O)[O-] CNP0152869.0 [1,1,0,0,0,0|1,0,1]=4 208 B7R0.6 C[S+](C)CCC(=O)[O-] CNP0540473.0 [1,1,0,0,0,0|1,0,1]=4 209 B7R0.6 C[S](C)CCC(=O)O CNP0603322.0 [1,1,0,0,0,0|1,0,1]=4 210 B7R0.8 CC(C)(C)C=CC=O CNP0514771.0 [1,1,0,0,0,0|0,0,2]=4 211 B7R0.1 C=CC=CCC=CC CNP0290357.0 [1,1,0,0,0,0|2,0,0]=4 212 B7R0.1 C=CCCCC=CC CNP0076717.0 [1,1,0,0,0,0|2,0,0]=4 213 B7R0.1 CC=CCC=CCO CNP0168622.0 [1,1,0,0,0,0|1,0,1]=4 214 B7R0.1 CC=CCCC=CC CNP0082120.0 [1,1,0,0,0,0|2,0,0]=4 215 B7R0.1 CCC=CC=CC=O CNP0276667.0 [1,1,0,0,0,0|1,0,1]=4 216 B7R0.1 CCC=CCCC=O CNP0265888.0 [1,1,0,0,0,0|1,0,0]=3 217 B7R0.1 CCCCCOC=O CNP0294368.0 [1,1,0,0,0,0|0,0,2]=4 218 B7R0.1 O=CC=CC=CCO CNP0296757.0 [1,1,0,0,0,0|1,0,1]=4 219 B7R0.7 CC=CC(=CC=O)C CNP0360026.0 [1,1,0,0,0,0|1,0,1]=4 220 B9R0.4 C=CCC[C@@H](C)C=C(C)C CNP0076360.1 [0,2,0,0,0,0|2,0,0]=4 221 B9R0.53 CC(=O)C=C(C)OC(=O)C CNP0367502.0 [0,2,0,0,0,0|1,0,1]=4 222 B9R0.53 CC(=O)C[C@@H](C)OC(=O)C CNP0303654.1 [0,2,0,0,0,0|1,0,1]=4 223 B9R0.53 CC(=O)OC(C)OC(=O)C CNP0079847.0 [0,2,0,0,0,0|2,0,0]=4 224 B9R0.53 CC(=O)O[C@H](C)CC(C)C CNP0489311.1 [0,2,0,0,0,0|0,0,2]=4 225 B9R0.1 C=C(CC)CCC=C(C)C CNP0507875.0 [0,2,0,0,0,0|2,0,0]=4 226 B9R0.1 C=CC(=C)CCC=C(C)C CNP0241365.0 [0,2,0,0,0,0|2,0,0]=4 227 B9R0.1 C=CC(=CCC=C(C)C)C CNP0295010.0 [0,2,0,0,0,0|2,0,0]=4 228 B9R0.1 C=C[C@@H](C)CCC=C(C)C CNP0168256.2 [0,2,0,0,0,0|2,0,0]=4 229 B9R0.1 C=C[C@H](C)CCC=C(C)C CNP0168256.1 [0,2,0,0,0,0|2,0,0]=4 230 B9R0.1 CC(=CCCC(=NO)C)C CNP0212502.0 [0,2,0,0,0,0|1,0,1]=4 231 B9R0.1 CC(=CCC[C@@H](C)C=O)C CNP0150075.2 [0,2,0,0,0,0|1,0,0]=3 232 B9R0.1 CC(=CCC[C@H](C)C=O)C CNP0150075.1 [0,2,0,0,0,0|1,0,0]=3 233 B9R0.1 CC(=CCN=C(N)N)CO CNP0161966.0 [0,2,0,0,0,0|2,0,0]=4 234 B9R0.1 CC(=CCNC(=N)N)CO CNP0507334.0 [0,2,0,0,0,0|2,0,0]=4 235 B9R0.1 CC(=O)C=CC=C(C)CO CNP0040353.0 [0,2,0,0,0,0|1,0,1]=4 236 B9R0.1 CC(=O)CCC=C(C)CO CNP0278208.0 [0,2,0,0,0,0|1,0,0]=3 237 B9R0.1 CC(=O)OCC=C(C)CO CNP0248303.0 [0,2,0,0,0,0|0,0,0]=2 238 B9R0.1 CC=C(C)CCC=C(C)C CNP0355870.0 [0,2,0,0,0,0|2,0,0]=4 239 B9R0.1 CCC(=O)OCCC(C)C CNP0244888.0 [0,2,0,0,0,0|0,0,2]=4 240 B9R0.47 C=CC=CCC(=C(C)C)C CNP0608385.0 [0,2,0,0,0,0|2,0,0]=4 241 B9R0.2 C=CC=CCCC=C(C)C CNP0185816.0 [0,2,0,0,0,0|2,0,0]=4 242 B9R0.55 C=C(C)CCCC=C(C)C CNP0556185.0 [0,2,0,0,0,0|2,0,0]=4 243 B9R0.55 CC(=CCCC=C(C)C)C CNP0076355.0 [0,2,0,0,0,0|2,0,0]=4 244 B9R0.55 CC(=O)OCC=CC(C)C CNP0539988.0 [0,2,0,0,0,0|0,0,1]=3 245 B9R0.7 C/C(=C/C[C@H](N)C(=O)O)/Cl CNP0126752.1 [0,2,0,0,0,0|2,0,0]=4 246 B9R0.7 C=C(C)[C@H](O)CC=C(C)C CNP0217262.1 [0,2,0,0,0,0|2,0,0]=4 247 B9R0.7 CC(=CC[C@H](N)C(=O)O)C CNP0216742.1 [0,2,0,0,0,0|1,0,0]=3 248 B9R0.7 CC(C)C(=O)CCC(=O)O CNP0329211.0 [0,2,0,0,0,0|1,0,1]=4 249 B9R0.56 CC(=CCOP(=O)(O)O)C CNP0086155.0 [0,2,0,0,0,0|1,0,0]=3 250 B9R0.56 CC(=O)OCCC(C)(C)S CNP0128324.0 [0,2,0,0,0,0|0,0,2]=4 251 B9R0.56 CC(=O)OCC[As+](C)(C)C CNP0017843.0 [0,2,0,0,0,0|1,0,1]=4 252 B9R0.56 CC(=O)OCC[N+](C)(C)C CNP0482920.0 [0,2,0,0,0,0|1,0,1]=4 253 B9R0.56 CC(=O)OCC[N+](C)(C)C CNP0521268.0 [0,2,0,0,0,0|1,0,1]=4 254 B9R0.56 CC(=O)OCC[N+](C)(C)C CNP0569856.0 [0,2,0,0,0,0|1,0,1]=4 255 B9R0.56 CC(=O)OCC[N+](C)(C)C CNP0583054.0 [0,2,0,0,0,0|1,0,1]=4 256 B9R0.56 CC(=O)OCC[N+](C)(C)C CNP0584438.0 [0,2,0,0,0,0|1,0,1]=4 257 B9R0.56 C[N+](C)(C)CCOC(=O)N CNP0529912.0 [0,2,0,0,0,0|1,0,1]=4 258 B9R0.56 C[N+](C)(C)CCOC(=O)N CNP0532437.0 [0,2,0,0,0,0|1,0,1]=4 259 B7R1.2 CC1=CC(=O)CC1 CNP0317275.0 [1,0,0,1,0,0|0,0,2]=4 260 B7R1.2 CC1=CC(=O)CO1 CNP0257916.0 [1,0,0,1,0,0|1,0,1]=4 261 B7R1.2 CC1=CC(=O)OC1 CNP0565176.0 [1,0,0,1,0,0|0,0,1]=3 262 B7R1.2 CC1=CCC(=O)O1 CNP0256319.0 [1,0,0,1,0,0|1,0,0]=3 263 B7R1.2 CC1=COC(=C1)C CNP0386095.0 [1,0,0,1,0,0|1,0,1]=4 264 B7R1.2 CC1=COC(=N1)C CNP0003151.0 [1,0,0,1,0,0|2,0,0]=4 265 B7R1.2 CC1CCC(=O)C1 CNP0601005.0 [1,0,0,1,0,0|0,0,2]=4 266 B7R1.2 CC1CNC(=O)C1 CNP0609130.0 [1,0,0,1,0,0|1,0,1]=4 267 B7R1.2 CC1COC(=O)O1 CNP0609065.0 [1,0,0,1,0,0|1,0,1]=4 268 B7R1.2 C[C@@H]1COC(=O)C1 CNP0323281.1 [1,0,0,1,0,0|0,0,1]=3 269 B7R1.2 C[C@H]1COC(=O)C1 CNP0323281.2 [1,0,0,1,0,0|0,0,1]=3 270 B7R1.2 O=C1C=C(CO1)O CNP0181857.0 [1,0,0,1,0,0|1,0,1]=4 271 B7R1.2 O=C1C=CC(=O)C1 CNP0421080.0 [1,0,0,1,0,0|1,0,1]=4 272 B7R1.2 O=C1CCC(=O)C1 CNP0171251.0 [1,0,0,1,0,0|1,0,1]=4 273 B7R1.2 O=C1C[C@@H](CO1)O CNP0174638.1 [1,0,0,1,0,0|1,0,1]=4 274 B7R1.2 O=C1C[C@H](CO1)O CNP0174638.2 [1,0,0,1,0,0|1,0,1]=4 275 B7R1.3 CC1=CC=CCC1 CNP0238161.0 [1,0,0,1,0,0|1,0,1]=4 276 B7R1.3 CC1=CCC=CC1 CNP0481094.0 [1,0,0,1,0,0|1,0,0]=3 277 B7R1.3 CC1=CCCCC1 CNP0369235.0 [1,0,0,1,0,0|1,0,1]=4 278 B7R1.4 C=C1CCOC1=O CNP0195400.0 [1,0,0,1,0,0|0,0,2]=4 279 B7R1.4 CC1=C(OC=C1)C CNP0003373.0 [1,0,0,1,0,0|1,0,1]=4 280 B7R1.4 CC1=CCCC1=O CNP0196465.0 [1,0,0,1,0,0|1,0,0]=3 281 B7R1.4 CC1=CCOC1=O CNP0216253.0 [1,0,0,1,0,0|0,0,0]=2 282 B7R1.4 CC1=NCNC1=O CNP0353390.0 [1,0,0,1,0,0|2,0,0]=4 283 B7R1.4 C[C@@H]1CCOC1=O CNP0290908.1 [1,0,0,1,0,0|0,0,2]=4 284 B7R1.4 C[C@H]1CCOC1=O CNP0290908.2 [1,0,0,1,0,0|0,0,2]=4 285 B7R1.4 O=C1CCC=C1O CNP0104225.0 [1,0,0,1,0,0|2,0,0]=4 286 B7R1.4 O=C1OCC=C1O CNP0541078.0 [1,0,0,1,0,0|1,0,0]=3 287 B9R1.34 CC1=CC(=O)OC(=C1)C CNP0079979.0 [0,1,0,1,0,0|0,0,2]=4 288 B9R1.34 CC1OC(=O)CC(=O)O1 CNP0094345.0 [0,1,0,1,0,0|2,0,0]=4 289 B9R1.41 CC(=O)C1CCOC1=O CNP0411848.0 [0,1,0,1,0,0|1,0,1]=4 290 B9R1.66 C[C@@]1(CCOC(=O)C1)O CNP0242599.2 [0,1,0,1,0,0|0,0,2]=4 291 B9R1.66 C[C@]1(CCOC(=O)C1)O CNP0242599.1 [0,1,0,1,0,0|0,0,2]=4 292 B9R1.1 CC1=CC[C@@H](CC1)C=O CNP0198350.1 [0,1,0,1,0,0|1,0,0]=3 293 B9R1.2 COC1=CC(=O)OC=C1 CNP0507219.0 [0,1,0,1,0,0|0,0,2]=4 294 B9R1.2 COC1=CC(=O)OCC1 CNP0195461.0 [0,1,0,1,0,0|0,0,2]=4 295 B9R1.3 CC1=C(C=COC1=O)O CNP0206261.0 [0,1,0,1,0,0|1,0,1]=4 296 B9R1.202 CCC1(CCOC1=O)C CNP0050181.0 [0,1,0,1,0,0|0,0,2]=4 297 B9R1.35 CC(C)C1=CC(=O)CC1 CNP0206297.0 [0,1,0,1,0,0|1,0,1]=4 298 B9R1.35 CC(C)C1=CC(=O)OC1 CNP0608486.0 [0,1,0,1,0,0|0,0,1]=3 299 B9R1.69 CC1=C(OC(=O)CC1)C CNP0612037.0 [0,1,0,1,0,0|2,0,0]=4 300 B9R1.69 CC1=CC(=O)OCC1O CNP0356511.0 [0,1,0,1,0,0|0,0,2]=4 301 B9R1.69 CC1CC(=O)OCC1O CNP0415088.0 [0,1,0,1,0,0|0,0,2]=4 302 B9R1.106 CC1(C(=O)OOC1=O)C CNP0441420.0 [0,1,0,1,0,0|1,0,1]=4 303 B9R1.125 CC1=CCC(O1)(C)C=O CNP0561487.0 [0,1,0,1,0,0|2,0,0]=4