0 B6R0.2 C=C(C)CC(=O)C CNP0331918.0 [0,0,0,0,0,0|0,0,2]=2 1 B6R0.2 C=C(N)CC(=O)O CNP0312147.0 [0,0,0,0,0,0|2,0,2]=4 2 B6R0.2 C=C(O)CC(=O)O CNP0082070.0 [0,0,0,0,0,0|2,0,2]=4 3 B6R0.2 CC(=CC(=O)Cl)C CNP0301599.0 [0,0,0,0,0,0|1,0,0]=1 4 B6R0.2 CC(=CC(=O)N)C CNP0186116.0 [0,0,0,0,0,0|1,0,0]=1 5 B6R0.2 CC(=CC(=O)O)C CNP0191929.0 [0,0,0,0,0,0|1,0,0]=1 6 B6R0.2 CC(=CC(=O)O)O CNP0487751.0 [0,0,0,0,0,0|2,0,0]=2 7 B6R0.2 CC(=CC(C)C)C CNP0084966.0 [0,0,0,0,0,0|1,0,1]=2 8 B6R0.2 CC(=C[13C](=O)C)C CNP0541964.0 [0,0,0,0,0,0|0,0,0]=0 9 B6R0.2 CC(=N)CC(=O)C CNP0178786.0 [0,0,0,0,0,0|1,0,1]=2 10 B6R0.2 CC(=N)C[N+](=O)[O-] CNP0571090.0 [0,0,0,0,0,0|3,0,1]=4 11 B6R0.2 CC(=O)C=C(C)C CNP0258331.0 [0,0,0,0,0,0|0,0,0]=0 12 B6R0.2 CC(=O)C=C(C)O CNP0344390.0 [0,0,0,0,0,0|1,0,0]=1 13 B6R0.2 CC(=O)CC(=O)C CNP0267628.0 [0,0,0,0,0,0|1,0,1]=2 14 B6R0.2 CC(=O)CC(=O)N CNP0237689.0 [0,0,0,0,0,0|2,0,1]=3 15 B6R0.2 CC(=O)CC(=O)O CNP0286292.0 [0,0,0,0,0,0|2,0,1]=3 16 B6R0.2 CC(=O)CC(C)C CNP0178924.0 [0,0,0,0,0,0|0,0,2]=2 17 B6R0.2 CC(=O)C[C@@H](C)O CNP0209002.1 [0,0,0,0,0,0|1,0,2]=3 18 B6R0.2 CC(=O)C[C@H](C)O CNP0209002.2 [0,0,0,0,0,0|1,0,2]=3 19 B6R0.2 CC(=O)NC(=N)N CNP0201651.0 [0,0,0,0,0,0|3,0,0]=3 20 B6R0.2 CC(=O)NC(=O)C CNP0582746.0 [0,0,0,0,0,0|2,0,0]=2 21 B6R0.2 CC(=O)NC(=O)N CNP0114939.0 [0,0,0,0,0,0|3,0,0]=3 22 B6R0.2 CC(=O)NC(=S)N CNP0147596.0 [0,0,0,0,0,0|3,0,0]=3 23 B6R0.2 CC(=O)OC(=O)C CNP0296904.0 [0,0,0,0,0,0|2,0,0]=2 24 B6R0.2 CC(=O)OC(C)C CNP0234567.0 [0,0,0,0,0,0|1,0,1]=2 25 B6R0.2 CC(=O)SC(=O)C CNP0165468.0 [0,0,0,0,0,0|2,0,0]=2 26 B6R0.2 CC(=S)OC(=S)C CNP0526914.0 [0,0,0,0,0,0|2,1,0]=3 27 B6R0.2 CC(=S)OC(C)C CNP0539735.0 [0,0,0,0,0,0|1,1,1]=3 28 B6R0.2 CC(Br)C=C(Br)Br CNP0435859.0 [0,0,0,0,0,0|3,0,1]=4 29 B6R0.2 CC(C)CC(=O)N CNP0512695.0 [0,0,0,0,0,0|1,0,2]=3 30 B6R0.2 CC(C)CC(C)C CNP0241759.0 [0,0,0,0,0,0|1,0,3]=4 31 B6R0.2 CC(C)CC(C)O CNP0493734.0 [0,0,0,0,0,0|0,0,4]=4 32 B6R0.2 CC(C)C[C@@H](C)N CNP0556567.1 [0,0,0,0,0,0|1,0,3]=4 33 B6R0.2 CC(C)C[S@@+](C)[O-] CNP0553779.1 [0,0,0,0,0,0|1,0,3]=4 34 B6R0.2 CC(C)C[S@@H+](C)[O-] CNP0593384.1 [0,0,0,0,0,0|1,0,3]=4 35 B6R0.2 CC(C)NC(=O)N CNP0331187.0 [0,0,0,0,0,0|2,0,1]=3 36 B6R0.2 CC(C)NC(=S)N CNP0284249.0 [0,0,0,0,0,0|2,1,1]=4 37 B6R0.2 CC(C)NC(C)C CNP0209283.0 [0,0,0,0,0,0|2,0,2]=4 38 B6R0.2 CC(C)SC(=N)N CNP0584188.0 [0,0,0,0,0,0|3,0,1]=4 39 B6R0.2 CC(C)SC(C)C CNP0213199.0 [0,0,0,0,0,0|2,0,2]=4 40 B6R0.2 CC(O)CC(=O)N CNP0217857.0 [0,0,0,0,0,0|2,0,2]=4 41 B6R0.2 CN(C)CC(=O)Cl CNP0017846.0 [0,0,0,0,0,0|2,0,1]=3 42 B6R0.2 CN(C)CC(=O)N CNP0045146.0 [0,0,0,0,0,0|2,0,1]=3 43 B6R0.2 CN(C)CC(=O)O CNP0175140.0 [0,0,0,0,0,0|2,0,1]=3 44 B6R0.2 CN(C)C[S+](C)[O-] CNP0538671.0 [0,0,0,0,0,0|2,0,2]=4 45 B6R0.2 C[C@@H](N)CC(=O)O CNP0287180.2 [0,0,0,0,0,0|2,0,2]=4 46 B6R0.2 C[C@@H](O)CC(=O)O CNP0161860.1 [0,0,0,0,0,0|2,0,2]=4 47 B6R0.2 C[C@H](N)CC(=O)O CNP0287180.1 [0,0,0,0,0,0|2,0,2]=4 48 B6R0.2 C[C@H](O)CC(=O)O CNP0161860.2 [0,0,0,0,0,0|2,0,2]=4 49 B6R0.2 C[C@H]([13CH3])CC(=O)O CNP0175489.1 [0,0,0,0,0,0|1,0,2]=3 50 B6R0.2 C[C](C)CC(=O)O CNP0606523.0 [0,0,0,0,0,0|1,0,2]=3 51 B6R0.2 C[S+](C)CC(=O)O CNP0149325.0 [0,0,0,0,0,0|2,0,1]=3 52 B6R0.2 C[S+](C)CC(=O)[O-] CNP0153505.0 [0,0,0,0,0,0|2,0,1]=3 53 B6R0.2 NC(=O)C=C(Cl)Cl CNP0268623.0 [0,0,0,0,0,0|3,0,0]=3 54 B6R0.2 NC(=O)CC(=O)N CNP0249745.0 [0,0,0,0,0,0|3,0,1]=4 55 B6R0.2 NC(=O)CC(=O)O CNP0514577.0 [0,0,0,0,0,0|3,0,1]=4 56 B6R0.2 NC(=O)NC(=O)O CNP0125227.0 [0,0,0,0,0,0|4,0,0]=4 57 B6R0.2 O=C(Cl)C=C(Br)Br CNP0351146.0 [0,0,0,0,0,0|3,0,0]=3 58 B6R0.2 O=C(Cl)C=C(Cl)Cl CNP0284346.0 [0,0,0,0,0,0|3,0,0]=3 59 B6R0.2 O=C(Cl)CC(=O)Cl CNP0314978.0 [0,0,0,0,0,0|3,0,1]=4 60 B6R0.2 O=C(O)C=C(Br)Br CNP0377910.0 [0,0,0,0,0,0|3,0,0]=3 61 B6R0.2 O=C(O)C=C(Cl)Cl CNP0345285.0 [0,0,0,0,0,0|3,0,0]=3 62 B6R0.2 O=C(O)C=C(I)I CNP0227378.0 [0,0,0,0,0,0|3,0,0]=3 63 B6R0.2 O=C(O)CC(=O)O CNP0327247.0 [0,0,0,0,0,0|3,0,1]=4 64 B5R0.1 C=C(C)C=CC CNP0348667.0 [1,0,0,0,0,0|0,0,1]=2 65 B5R0.1 C=C(C)CCC CNP0179329.0 [1,0,0,0,0,0|0,0,3]=4 66 B5R0.1 C=CC=C(C)C CNP0130651.0 [1,0,0,0,0,0|0,0,1]=2 67 B5R0.1 C=CCC(=O)C CNP0385825.0 [1,0,0,0,0,0|0,0,2]=3 68 B5R0.1 C=CCC(=O)N CNP0292806.0 [1,0,0,0,0,0|1,0,2]=4 69 B5R0.1 C=CCC(=O)O CNP0172155.0 [1,0,0,0,0,0|1,0,2]=4 70 B5R0.1 C=CCC(C)C CNP0293683.0 [1,0,0,0,0,0|0,0,3]=4 71 B5R0.1 C=COC(=O)C CNP0003526.0 [1,0,0,0,0,0|1,0,1]=3 72 B5R0.1 C=COC(C)C CNP0491165.0 [1,0,0,0,0,0|1,0,2]=4 73 B5R0.1 CC(=CC#N)C CNP0294715.0 [1,0,0,0,0,0|1,0,1]=3 74 B5R0.1 CC(=CC=O)C CNP0325416.0 [1,0,0,0,0,0|0,0,0]=1 75 B5R0.1 CC(=CCO)C CNP0241702.0 [1,0,0,0,0,0|0,0,2]=3 76 B5R0.1 CC(=CCS)C CNP0262600.0 [1,0,0,0,0,0|0,1,1]=3 77 B5R0.1 CC(=O)C=NO CNP0397193.0 [1,0,0,0,0,0|2,0,0]=3 78 B5R0.1 CC(=O)CCO CNP0251527.0 [1,0,0,0,0,0|1,0,2]=4 79 B5R0.1 CC(=O)CCS CNP0404753.0 [1,0,0,0,0,0|1,0,2]=4 80 B5R0.1 CC(=O)OCS CNP0547679.0 [1,0,0,0,0,0|2,0,1]=4 81 B5R0.1 CC(C)C=CO CNP0546358.0 [1,0,0,0,0,0|0,0,2]=3 82 B5R0.1 CC(C)C=NO CNP0180575.0 [1,0,0,0,0,0|1,0,2]=4 83 B5R0.1 CC(C)CC=O CNP0200023.0 [1,0,0,0,0,0|0,0,2]=3 84 B5R0.1 CC(C)N=C=O CNP0495487.0 [1,0,0,0,0,0|1,0,2]=4 85 B5R0.1 CC(C)OC=O CNP0079775.0 [1,0,0,0,0,0|1,0,1]=3 86 B5R0.1 CC=CC(=N)S CNP0609462.0 [1,0,0,0,0,0|1,1,0]=3 87 B5R0.1 CC=CC(=O)C CNP0158055.0 [1,0,0,0,0,0|0,0,0]=1 88 B5R0.1 CC=CC(=O)Cl CNP0018733.0 [1,0,0,0,0,0|1,0,0]=2 89 B5R0.1 CC=CC(=O)N CNP0376163.0 [1,0,0,0,0,0|1,0,0]=2 90 B5R0.1 CC=CC(=O)O CNP0379669.0 [1,0,0,0,0,0|1,0,0]=2 91 B5R0.1 CC=CC(=O)S CNP0128183.0 [1,0,0,0,0,0|1,0,0]=2 92 B5R0.1 CC=CC(=S)N CNP0219494.0 [1,0,0,0,0,0|1,1,0]=3 93 B5R0.1 CC=CC(C)C CNP0513218.0 [1,0,0,0,0,0|0,0,1]=2 94 B5R0.1 CC=CC(C)O CNP0150168.0 [1,0,0,0,0,0|0,0,2]=3 95 B5R0.1 CC=CS(=S)O CNP0498878.0 [1,0,0,0,0,0|2,0,1]=4 96 B5R0.1 CCC=C(C)C CNP0331653.0 [1,0,0,0,0,0|0,0,1]=2 97 B5R0.1 CCC=C(C)O CNP0225775.0 [1,0,0,0,0,0|0,0,2]=3 98 B5R0.1 CCCC(=O)C CNP0169448.0 [1,0,0,0,0,0|0,0,2]=3 99 B5R0.1 CCCC(=O)N CNP0115101.0 [1,0,0,0,0,0|1,0,2]=4 100 B5R0.1 CCCC(=O)O CNP0259447.0 [1,0,0,0,0,0|1,0,2]=4 101 B5R0.1 CCCC(=O)[O-] CNP0521413.0 [1,0,0,0,0,0|1,0,2]=4 102 B5R0.1 CCCC(C)C CNP0319065.0 [1,0,0,0,0,0|0,0,3]=4 103 B5R0.1 CCNC(=O)C CNP0260078.0 [1,0,0,0,0,0|1,0,1]=3 104 B5R0.1 CCOC(=O)C CNP0322418.0 [1,0,0,0,0,0|1,0,1]=3 105 B5R0.1 CCOC(=O)N CNP0336700.0 [1,0,0,0,0,0|2,0,1]=4 106 B5R0.1 CCOC(=O)O CNP0166515.0 [1,0,0,0,0,0|2,0,1]=4 107 B5R0.1 CCOC(C)C CNP0604172.0 [1,0,0,0,0,0|1,0,2]=4 108 B5R0.1 CCO[13C](=O)C CNP0577601.0 [1,0,0,0,0,0|1,0,1]=3 109 B5R0.1 CCSC(=O)C CNP0274861.0 [1,0,0,0,0,0|1,0,1]=3 110 B5R0.1 CCSC(C)C CNP0254931.0 [1,0,0,0,0,0|1,0,2]=4 111 B5R0.1 CN=CC(C)C CNP0149349.0 [1,0,0,0,0,0|1,0,1]=3 112 B5R0.1 CNCC(=O)O CNP0307073.0 [1,0,0,0,0,0|2,0,1]=4 113 B5R0.1 CNCC(=O)O CNP0563704.0 [1,0,0,0,0,0|2,0,1]=4 114 B5R0.1 CNCC(=O)[O-] CNP0565920.0 [1,0,0,0,0,0|2,0,1]=4 115 B5R0.1 CNCC(C)C CNP0273998.0 [1,0,0,0,0,0|1,0,2]=4 116 B5R0.1 COCC(=O)C CNP0581024.0 [1,0,0,0,0,0|1,0,1]=3 117 B5R0.1 COCC(=O)O CNP0343219.0 [1,0,0,0,0,0|2,0,1]=4 118 B5R0.1 COCC(C)C CNP0528468.0 [1,0,0,0,0,0|1,0,2]=4 119 B5R0.1 CSCC(=O)C CNP0002513.0 [1,0,0,0,0,0|1,0,1]=3 120 B5R0.1 CSCC(=O)O CNP0447839.0 [1,0,0,0,0,0|2,0,1]=4 121 B5R0.1 CSCC(C)C CNP0405087.0 [1,0,0,0,0,0|1,0,2]=4 122 B5R0.1 CSSC(C)C CNP0267830.0 [1,0,0,0,0,0|2,0,1]=4 123 B5R0.1 C[C@@H](O)CC=O CNP0197470.1 [1,0,0,0,0,0|1,0,2]=4 124 B5R0.1 C[Se]CC(=O)O CNP0526449.0 [1,0,0,0,0,0|2,0,1]=4 125 B5R0.1 C[Te]CC(=O)O CNP0537189.0 [1,0,0,0,0,0|2,0,1]=4 126 B5R0.1 NC(=O)C=CI CNP0204270.0 [1,0,0,0,0,0|2,0,0]=3 127 B5R0.1 O=C(O)C=CBr CNP0310992.0 [1,0,0,0,0,0|2,0,0]=3 128 B5R0.1 O=C(O)C=CCl CNP0293481.0 [1,0,0,0,0,0|2,0,0]=3 129 B5R0.1 O=C(O)C=CI CNP0239582.0 [1,0,0,0,0,0|2,0,0]=3 130 B5R0.1 O=C(O)C=NO CNP0286362.0 [1,0,0,0,0,0|3,0,0]=4 131 B5R0.1 O=CC=C(Br)Br CNP0270728.0 [1,0,0,0,0,0|2,0,0]=3 132 B5R0.1 O=CCC(=O)O CNP0149091.0 [1,0,0,0,0,0|2,0,1]=4 133 B7R0.2 C=CC(=O)NC(C)C CNP0414888.0 [0,1,0,0,0,0|1,0,2]=4 134 B7R0.2 C=NN(C)C=C(C)N CNP0345001.0 [0,1,0,0,0,0|2,0,1]=4 135 B7R0.2 CC(=CC(C)C)C=O CNP0076574.0 [0,1,0,0,0,0|0,0,1]=2 136 B7R0.2 CC(=O)CC(=NO)C CNP0221601.0 [0,1,0,0,0,0|1,0,1]=3 137 B7R0.2 CC(=O)OC(C)C#N CNP0194658.0 [0,1,0,0,0,0|1,0,2]=4 138 B7R0.2 CC(=O)OC(C)C=O CNP0528164.0 [0,1,0,0,0,0|1,0,2]=4 139 B7R0.2 CC(C)CC(=O)C#N CNP0113699.0 [0,1,0,0,0,0|0,0,3]=4 140 B7R0.2 CC(C)C[C@H](C)C=O CNP0563358.1 [0,1,0,0,0,0|0,0,3]=4 141 B7R0.2 CC(CO)CC(=O)O CNP0350905.0 [0,1,0,0,0,0|1,0,2]=4 142 B7R0.2 CC=C(C)CC(=O)N CNP0143814.0 [0,1,0,0,0,0|1,0,1]=3 143 B7R0.2 CC=C(C)CC(=O)O CNP0178168.0 [0,1,0,0,0,0|1,0,1]=3 144 B7R0.2 CCC(=CC(=O)C)C CNP0380051.0 [0,1,0,0,0,0|0,0,0]=1 145 B7R0.2 CCC(=CC(=O)O)C CNP0340018.0 [0,1,0,0,0,0|1,0,0]=2 146 B7R0.2 CCC(=O)C=C(C)C CNP0540144.0 [0,1,0,0,0,0|0,0,0]=1 147 B7R0.2 CCC(=O)CC(=O)O CNP0066606.0 [0,1,0,0,0,0|2,0,1]=4 148 B7R0.2 CCC(=O)CC(C)C CNP0284484.0 [0,1,0,0,0,0|0,0,2]=3 149 B7R0.2 CCC(=O)NC(=O)C CNP0168988.0 [0,1,0,0,0,0|2,0,0]=3 150 B7R0.2 CCC(=O)OC(C)C CNP0250066.0 [0,1,0,0,0,0|1,0,1]=3 151 B7R0.2 CCC(C)CC(=O)C CNP0555982.0 [0,1,0,0,0,0|0,0,2]=3 152 B7R0.2 CC[C@@H](C)CC(=O)O CNP0258429.2 [0,1,0,0,0,0|1,0,2]=4 153 B7R0.2 CC[C@@H](C)OC(=O)C CNP0076550.2 [0,1,0,0,0,0|1,0,1]=3 154 B7R0.2 CC[C@H](C)CC(=O)Cl CNP0111918.1 [0,1,0,0,0,0|1,0,2]=4 155 B7R0.2 CC[C@H](C)CC(=O)N CNP0105662.1 [0,1,0,0,0,0|1,0,2]=4 156 B7R0.2 CC[C@H](C)CC(=O)O CNP0258429.1 [0,1,0,0,0,0|1,0,2]=4 157 B7R0.2 CC[C@H](C)OC(=O)C CNP0076550.1 [0,1,0,0,0,0|1,0,1]=3 158 B7R0.2 CN(C)CC(=O)NN CNP0250241.0 [0,1,0,0,0,0|2,0,1]=4 159 B7R0.2 CNC(=O)NC(=O)C CNP0066396.0 [0,1,0,0,0,0|2,0,0]=3 160 B7R0.2 CNC(=O)NC(=O)O CNP0113940.0 [0,1,0,0,0,0|3,0,0]=4 161 B7R0.2 COC(=CC(=O)C)C CNP0350005.0 [0,1,0,0,0,0|0,0,0]=1 162 B7R0.2 COC(=O)C=C(C)C CNP0329537.0 [0,1,0,0,0,0|0,0,0]=1 163 B7R0.2 COC(=O)CC(=O)C CNP0086286.0 [0,1,0,0,0,0|1,0,1]=3 164 B7R0.2 COC(=O)CC(=O)O CNP0461449.0 [0,1,0,0,0,0|2,0,1]=4 165 B7R0.2 COC(=O)CC(C)C CNP0289344.0 [0,1,0,0,0,0|0,0,2]=3 166 B7R0.2 COC(=O)CC(C)S CNP0050854.0 [0,1,0,0,0,0|1,0,2]=4 167 B7R0.2 COC(=O)CN(C)C CNP0318263.0 [0,1,0,0,0,0|1,0,1]=3 168 B7R0.2 COC(=O)C[C@@H](C)N CNP0127877.1 [0,1,0,0,0,0|1,0,2]=4 169 B7R0.2 COC(=O)C[C@H](C)O CNP0117417.1 [0,1,0,0,0,0|1,0,2]=4 170 B7R0.2 COC(=O)C[S+](C)C CNP0025669.0 [0,1,0,0,0,0|1,0,1]=3 171 B7R0.2 COC(=O)C[S](C)C CNP0539244.0 [0,1,0,0,0,0|1,0,1]=3 172 B7R0.2 COC(=O)NC(=O)N CNP0291245.0 [0,1,0,0,0,0|3,0,0]=4 173 B7R0.2 CSC(=O)CC(C)C CNP0084338.0 [0,1,0,0,0,0|0,0,2]=3 174 B7R0.2 O=C(C=C(Br)Br)CBr CNP0357798.0 [0,1,0,0,0,0|2,0,0]=3 175 B7R0.2 O=C(O)CC(=O)CBr CNP0292204.0 [0,1,0,0,0,0|2,0,1]=4 176 B7R0.9 C=C(C)CC(C)(C)C CNP0205743.0 [0,1,0,0,0,0|1,0,2]=4 177 B7R0.9 CC(=O)CC(C)(C)N CNP0308677.0 [0,1,0,0,0,0|0,0,2]=3 178 B7R0.9 CC(=O)CC(C)(C)O CNP0333881.0 [0,1,0,0,0,0|0,0,2]=3 179 B7R0.9 CC(=O)CC(C)(C)S CNP0003365.0 [0,1,0,0,0,0|0,0,2]=3 180 B7R0.9 CC(=O)C[N+](C)(C)C CNP0490253.0 [0,1,0,0,0,0|1,0,1]=3 181 B7R0.9 CC(C)(C)NC(=O)N CNP0541950.0 [0,1,0,0,0,0|2,0,1]=4 182 B7R0.9 CC(C)(O)CC(=O)O CNP0284455.0 [0,1,0,0,0,0|1,0,2]=4 183 B7R0.9 CC(C)OS(=O)(=O)C CNP0071159.0 [0,1,0,0,0,0|2,0,1]=4 184 B7R0.9 C[As+](C)(C)CC(=O)O CNP0017752.0 [0,1,0,0,0,0|2,0,1]=4 185 B7R0.9 C[As+](C)(C)CC(=O)[O-] CNP0085594.0 [0,1,0,0,0,0|2,0,1]=4 186 B7R0.9 C[N+](C)(C)CC(=O)N CNP0509431.0 [0,1,0,0,0,0|2,0,1]=4 187 B7R0.9 C[N+](C)(C)CC(=O)N CNP0510669.0 [0,1,0,0,0,0|2,0,1]=4 188 B7R0.9 C[N+](C)(C)CC(=O)O CNP0143060.0 [0,1,0,0,0,0|2,0,1]=4 189 B7R0.9 C[N+](C)(C)CC(=O)O CNP0558485.0 [0,1,0,0,0,0|2,0,1]=4 190 B7R0.9 C[N+](C)(C)CC(=O)[O-] CNP0508048.0 [0,1,0,0,0,0|2,0,1]=4 191 B7R0.9 C[N+](C)(C)CC(=O)[O-] CNP0513647.0 [0,1,0,0,0,0|2,0,1]=4 192 B7R0.16 C=C(C(=O)O)[C@@H](C)O CNP0180552.2 [0,1,0,0,0,0|2,0,1]=4 193 B7R0.16 C=C(C(=O)O)[C@H](C)O CNP0180552.1 [0,1,0,0,0,0|2,0,1]=4 194 B7R0.16 C=C(C)C(=O)C(C)C CNP0611996.0 [0,1,0,0,0,0|1,0,1]=3 195 B7R0.16 CC(=C(C)C(=O)O)C CNP0298281.0 [0,1,0,0,0,0|1,0,0]=2 196 B7R0.16 CC(=C(O)C(=O)O)C CNP0081972.0 [0,1,0,0,0,0|1,0,0]=2 197 B7R0.16 CC(=O)C(=C(Br)Br)Br CNP0266625.0 [0,1,0,0,0,0|2,0,0]=3 198 B7R0.16 CC(=O)C(=C(Br)Br)Cl CNP0369755.0 [0,1,0,0,0,0|2,0,0]=3 199 B7R0.16 CC(=O)C(=N)C(=O)O CNP0486933.0 [0,1,0,0,0,0|2,0,0]=3 200 B7R0.16 CC(=O)C(=N)C(=O)[O] CNP0577857.0 [0,1,0,0,0,0|2,0,0]=3 201 B7R0.16 CC(=O)C(=O)C(C)C CNP0264212.0 [0,1,0,0,0,0|0,0,1]=2 202 B7R0.16 CC(=O)C(C)C(=O)C CNP0423013.0 [0,1,0,0,0,0|1,0,1]=3 203 B7R0.16 CC(=O)C(C)C(=O)O CNP0002342.0 [0,1,0,0,0,0|2,0,1]=4 204 B7R0.16 CC(=O)C(S)C(C)C CNP0012295.0 [0,1,0,0,0,0|0,0,2]=3 205 B7R0.16 CC(=O)N(C)C(=O)C CNP0313606.0 [0,1,0,0,0,0|2,0,0]=3 206 B7R0.16 CC(=O)N(C)C(C)C CNP0111110.0 [0,1,0,0,0,0|1,0,1]=3 207 B7R0.16 CC(=O)[C@@H](Br)C(C)C CNP0046833.1 [0,1,0,0,0,0|0,0,2]=3 208 B7R0.16 CC(=O)[C@H](Br)C(C)C CNP0046833.2 [0,1,0,0,0,0|0,0,2]=3 209 B7R0.16 CC(=O)[C@H](N)C(=O)O CNP0211201.1 [0,1,0,0,0,0|2,0,1]=4 210 B7R0.16 CC(C)C(=O)C(=O)N CNP0124089.0 [0,1,0,0,0,0|1,0,1]=3 211 B7R0.16 CC(C)C(=O)C(=O)O CNP0207859.0 [0,1,0,0,0,0|1,0,1]=3 212 B7R0.16 CC(C)C(=O)C(C)C CNP0413157.0 [0,1,0,0,0,0|1,0,2]=4 213 B7R0.16 CC(C)C(=O)C(C)O CNP0291790.0 [0,1,0,0,0,0|0,0,3]=4 214 B7R0.16 CC(C)[C@@H](N)C(=O)O CNP0152507.2 [0,1,0,0,0,0|1,0,2]=4 215 B7R0.16 CC(C)[C@@H](O)C(=O)N CNP0311908.1 [0,1,0,0,0,0|1,0,2]=4 216 B7R0.16 CC(C)[C@@H](O)C(=O)O CNP0267024.1 [0,1,0,0,0,0|1,0,2]=4 217 B7R0.16 CC(C)[C@H](N)C(=O)O CNP0152507.1 [0,1,0,0,0,0|1,0,2]=4 218 B7R0.16 CC(C)[C@H](O)C(=O)O CNP0267024.2 [0,1,0,0,0,0|1,0,2]=4 219 B7R0.16 CN(C)C(=O)C(=O)O CNP0288655.0 [0,1,0,0,0,0|2,0,0]=3 220 B7R0.16 CN(C)C(=O)N(C)C CNP0083044.0 [0,1,0,0,0,0|3,0,0]=4 221 B7R0.16 C[C@@H](C(=O)O)N(C)C CNP0605647.1 [0,1,0,0,0,0|2,0,1]=4 222 B7R0.16 C[C@@H](O)C(=O)C(=O)O CNP0287171.1 [0,1,0,0,0,0|2,0,1]=4 223 B7R0.16 O=C(O)C(=C(Br)Br)Br CNP0296923.0 [0,1,0,0,0,0|3,0,0]=4 224 B7R0.16 O=C(O)C(=C(Br)Br)I CNP0355639.0 [0,1,0,0,0,0|3,0,0]=4 225 B7R0.16 O=C(O)C(=C(Br)I)Br CNP0305118.0 [0,1,0,0,0,0|3,0,0]=4 226 B7R0.16 O=C(O)C(=O)C(=O)O CNP0307436.0 [0,1,0,0,0,0|3,0,0]=4 227 B7R0.16 [13CH3][13CH]([13CH3])[13C@H]([15NH2])[13C](=O)O CNP0152507.4 [0,1,0,0,0,0|1,0,2]=4 228 B7R1.2 CC1=CC(=CO1)S CNP0229693.0 [0,0,0,1,0,0|1,0,2]=4 229 B7R1.2 CC1=CC(=CS1)S CNP0155844.0 [0,0,0,1,0,0|1,1,1]=4 230 B7R1.2 CC1=CC(=NO1)O CNP0075615.0 [0,0,0,1,0,0|2,0,1]=4 231 B7R1.2 CC1=CC(=O)CC1 CNP0317275.0 [0,0,0,1,0,0|0,0,0]=1 232 B7R1.2 CC1=CC(=O)CO1 CNP0257916.0 [0,0,0,1,0,0|1,0,0]=2 233 B7R1.2 CC1=CC(=O)OC1 CNP0565176.0 [0,0,0,1,0,0|1,0,0]=2 234 B7R1.2 CC1=CC(=S)CC1 CNP0042519.0 [0,0,0,1,0,0|0,1,0]=2 235 B7R1.2 CC1=CC(CS1)S CNP0374005.0 [0,0,0,1,0,0|1,1,1]=4 236 B7R1.2 CC1=CC=C(N1)C CNP0293795.0 [0,0,0,1,0,0|2,0,1]=4 237 B7R1.2 CC1=CC=C(O1)C CNP0204172.0 [0,0,0,1,0,0|2,0,1]=4 238 B7R1.2 CC1=CC=C(S1)C CNP0108172.0 [0,0,0,1,0,0|2,0,1]=4 239 B7R1.2 CC1=CCC(=O)O1 CNP0256319.0 [0,0,0,1,0,0|1,0,1]=3 240 B7R1.2 CC1=CN(C=N1)C CNP0371299.0 [0,0,0,1,0,0|2,0,1]=4 241 B7R1.2 CC1=CN=C(N1)C CNP0491637.0 [0,0,0,1,0,0|2,0,1]=4 242 B7R1.2 CC1=CN=C(O1)C CNP0342440.0 [0,0,0,1,0,0|2,0,1]=4 243 B7R1.2 CC1=CN=C(S1)C CNP0104615.0 [0,0,0,1,0,0|2,0,1]=4 244 B7R1.2 CC1=CNC(=N1)C CNP0266432.0 [0,0,0,1,0,0|2,0,1]=4 245 B7R1.2 CC1=COC(=C1)C CNP0386095.0 [0,0,0,1,0,0|0,0,2]=3 246 B7R1.2 CC1=COC(=N1)C CNP0003151.0 [0,0,0,1,0,0|1,0,2]=4 247 B7R1.2 CC1=CSC(=C1)C CNP0354538.0 [0,0,0,1,0,0|0,1,1]=3 248 B7R1.2 CC1=CSC(=N1)C CNP0325740.0 [0,0,0,1,0,0|1,1,1]=4 249 B7R1.2 CC1=NC(CN1)C CNP0564639.0 [0,0,0,1,0,0|2,0,1]=4 250 B7R1.2 CC1=NC(OC1)C CNP0002478.0 [0,0,0,1,0,0|1,0,2]=4 251 B7R1.2 CC1=NC(SC1)C CNP0372580.0 [0,0,0,1,0,0|1,1,1]=4 252 B7R1.2 CC1=NC[C@@H](N1)C CNP0268657.1 [0,0,0,1,0,0|2,0,1]=4 253 B7R1.2 CC1=NN=C(O1)C CNP0476751.0 [0,0,0,1,0,0|3,0,0]=4 254 B7R1.2 CC1=NOC(=C1)C CNP0609091.0 [0,0,0,1,0,0|1,0,1]=3 255 B7R1.2 CC1C=C(CC1)O CNP0082123.0 [0,0,0,1,0,0|0,0,2]=3 256 B7R1.2 CC1CCC(=O)C1 CNP0601005.0 [0,0,0,1,0,0|0,0,2]=3 257 B7R1.2 CC1CCC(=O)S1 CNP0014457.0 [0,0,0,1,0,0|1,0,1]=3 258 B7R1.2 CC1CNC(=O)C1 CNP0609130.0 [0,0,0,1,0,0|1,0,2]=4 259 B7R1.2 CC1COC(=O)O1 CNP0609065.0 [0,0,0,1,0,0|2,0,1]=4 260 B7R1.2 C[C@@H]1CCC(=O)O1 CNP0123835.1 [0,0,0,1,0,0|1,0,1]=3 261 B7R1.2 C[C@@H]1COC(=O)C1 CNP0323281.1 [0,0,0,1,0,0|1,0,2]=4 262 B7R1.2 C[C@H]1CCC(=O)O1 CNP0123835.2 [0,0,0,1,0,0|1,0,1]=3 263 B7R1.2 C[C@H]1COC(=O)C1 CNP0323281.2 [0,0,0,1,0,0|1,0,2]=4 264 B7R1.2 NC1=NC(=O)CN1 CNP0103299.0 [0,0,0,1,0,0|3,0,0]=4 265 B7R1.2 O=C1C=C(CO1)O CNP0181857.0 [0,0,0,1,0,0|2,0,0]=3 266 B7R1.2 O=C1CCC(=N1)O CNP0237840.0 [0,0,0,1,0,0|2,0,0]=3 267 B7R1.2 O=C1CCC(=O)C1 CNP0171251.0 [0,0,0,1,0,0|1,0,1]=3 268 B7R1.2 O=C1CCC(=O)N1 CNP0490149.0 [0,0,0,1,0,0|2,0,0]=3 269 B7R1.2 O=C1CCC(=O)O1 CNP0079889.0 [0,0,0,1,0,0|2,0,0]=3 270 B7R1.2 O=C1CC[C@@H](N1)O CNP0286097.2 [0,0,0,1,0,0|2,0,1]=4 271 B7R1.2 O=C1CC[C@H](N1)O CNP0286097.1 [0,0,0,1,0,0|2,0,1]=4 272 B7R1.2 O=C1CNC(=O)N1 CNP0327693.0 [0,0,0,1,0,0|3,0,0]=4 273 B7R1.2 O=C1CSC(=O)N1 CNP0570033.0 [0,0,0,1,0,0|3,0,0]=4 274 B7R1.2 O=C1CSC(=S)N1 CNP0208403.0 [0,0,0,1,0,0|3,0,0]=4 275 B7R1.12 C=C1CC1C(=O)C CNP0082059.0 [0,0,0,1,0,0|0,0,2]=3 276 B7R1.12 CC(=O)C1C=C1C CNP0335802.0 [0,0,0,1,0,0|0,0,2]=3 277 B7R1.12 CC1=N[C@H]1C(=O)O CNP0318344.1 [0,0,0,1,0,0|2,0,1]=4 278 B5R0.5 C=C(C)C(=C)C CNP0186706.0 [0,0,0,0,1,0|1,0,1]=3 279 B5R0.5 C=C(C)C(=O)C CNP0137327.0 [0,0,0,0,1,0|0,0,1]=2 280 B5R0.5 C=C(C)C(=O)Cl CNP0281632.0 [0,0,0,0,1,0|1,0,1]=3 281 B5R0.5 C=C(C)C(=O)N CNP0186369.0 [0,0,0,0,1,0|1,0,1]=3 282 B5R0.5 C=C(C)C(=O)O CNP0147624.0 [0,0,0,0,1,0|1,0,1]=3 283 B5R0.5 C=C(C)[C@@H](C)O CNP0221154.1 [0,0,0,0,1,0|0,0,3]=4 284 B5R0.5 C=C(C)[C@H](C)O CNP0221154.2 [0,0,0,0,1,0|0,0,3]=4 285 B5R0.5 C=C(Cl)C(=O)Cl CNP0018136.0 [0,0,0,0,1,0|2,0,1]=4 286 B5R0.5 C=C(Cl)C(=O)N CNP0229491.0 [0,0,0,0,1,0|2,0,1]=4 287 B5R0.5 C=C(Cl)C(=O)O CNP0239649.0 [0,0,0,0,1,0|2,0,1]=4 288 B5R0.5 C=C(N)C(=O)N CNP0591175.0 [0,0,0,0,1,0|2,0,1]=4 289 B5R0.5 C=C(N)C(=O)O CNP0224979.0 [0,0,0,0,1,0|2,0,1]=4 290 B5R0.5 C=C(O)C(=O)O CNP0422136.0 [0,0,0,0,1,0|2,0,1]=4 291 B5R0.5 C=C(O)C(C)C CNP0150035.0 [0,0,0,0,1,0|0,0,3]=4 292 B5R0.5 CC(=C(C)C)C CNP0192659.0 [0,0,0,0,1,0|1,0,0]=2 293 B5R0.5 CC(=C(C)O)C CNP0164530.0 [0,0,0,0,1,0|0,0,1]=2 294 B5R0.5 CC(=N)C(=O)O CNP0556238.0 [0,0,0,0,1,0|2,0,0]=3 295 B5R0.5 CC(=O)C(=O)C CNP0153215.0 [0,0,0,0,1,0|1,0,0]=2 296 B5R0.5 CC(=O)C(=O)N CNP0289593.0 [0,0,0,0,1,0|2,0,0]=3 297 B5R0.5 CC(=O)C(=O)O CNP0269827.0 [0,0,0,0,1,0|2,0,0]=3 298 B5R0.5 CC(=O)C(Br)Br CNP0186139.0 [0,0,0,0,1,0|2,0,1]=4 299 B5R0.5 CC(=O)C(C)C CNP0209504.0 [0,0,0,0,1,0|0,0,1]=2 300 B5R0.5 CC(=O)C(C)S CNP0409589.0 [0,0,0,0,1,0|1,0,1]=3 301 B5R0.5 CC(=O)C(O)O CNP0547141.0 [0,0,0,0,1,0|2,0,1]=4 302 B5R0.5 CC(=O)N(C)C CNP0083052.0 [0,0,0,0,1,0|1,0,0]=2 303 B5R0.5 CC(=O)[C@@H](C)O CNP0395416.2 [0,0,0,0,1,0|1,0,1]=3 304 B5R0.5 CC(=O)[C@H](C)O CNP0395416.1 [0,0,0,0,1,0|1,0,1]=3 305 B5R0.5 CC(C)C(=O)Cl CNP0337045.0 [0,0,0,0,1,0|1,0,1]=3 306 B5R0.5 CC(C)C(=O)N CNP0226996.0 [0,0,0,0,1,0|1,0,1]=3 307 B5R0.5 CC(C)C(=O)O CNP0197560.0 [0,0,0,0,1,0|1,0,1]=3 308 B5R0.5 CC(C)C(C)C CNP0183010.0 [0,0,0,0,1,0|1,0,2]=4 309 B5R0.5 CC(C)N(C)C CNP0419243.0 [0,0,0,0,1,0|2,0,1]=4 310 B5R0.5 CC(C)[C@@H](C)N CNP0573557.1 [0,0,0,0,1,0|1,0,2]=4 311 B5R0.5 CC(C)[C@@H](C)O CNP0315380.1 [0,0,0,0,1,0|0,0,3]=4 312 B5R0.5 CC(C)[C@@H](C)S CNP0316317.1 [0,0,0,0,1,0|0,1,2]=4 313 B5R0.5 CC(C)[C@H](C)O CNP0315380.2 [0,0,0,0,1,0|0,0,3]=4 314 B5R0.5 CC(C)[N+](=O)[O-] CNP0587963.0 [0,0,0,0,1,0|2,0,1]=4 315 B5R0.5 CC(O)C(=O)[O-] CNP0519619.0 [0,0,0,0,1,0|2,0,1]=4 316 B5R0.5 CC(O)C(=O)[O-] CNP0556254.0 [0,0,0,0,1,0|2,0,1]=4 317 B5R0.5 CC(O)C(=O)[O-] CNP0561690.0 [0,0,0,0,1,0|2,0,1]=4 318 B5R0.5 CC(O)C(=O)[O-] CNP0579849.0 [0,0,0,0,1,0|2,0,1]=4 319 B5R0.5 CC(O)C(=O)[O-] CNP0592207.0 [0,0,0,0,1,0|2,0,1]=4 320 B5R0.5 CN(C)C(=N)N CNP0155822.0 [0,0,0,0,1,0|3,0,0]=4 321 B5R0.5 CN(C)C(=S)S CNP0033815.0 [0,0,0,0,1,0|2,1,0]=4 322 B5R0.5 C[C@@H](N)C(=O)O CNP0313085.2 [0,0,0,0,1,0|2,0,1]=4 323 B5R0.5 C[C@@H](O)C(=O)O CNP0232038.2 [0,0,0,0,1,0|2,0,1]=4 324 B5R0.5 C[C@H](N)C(=O)O CNP0313085.1 [0,0,0,0,1,0|2,0,1]=4 325 B5R0.5 C[C@H](O)C(=O)O CNP0232038.1 [0,0,0,0,1,0|2,0,1]=4 326 B5R0.5 C[C@H](S)C(=O)O CNP0223404.1 [0,0,0,0,1,0|2,0,1]=4 327 B5R0.5 NC(=O)C(=O)N CNP0365298.0 [0,0,0,0,1,0|3,0,0]=4 328 B5R0.5 NC(=O)C(=O)O CNP0300477.0 [0,0,0,0,1,0|3,0,0]=4 329 B5R0.5 O=C(Br)C(=O)Br CNP0244658.0 [0,0,0,0,1,0|3,0,0]=4 330 B5R0.5 O=C(O)C(=O)O CNP0235859.0 [0,0,0,0,1,0|3,0,0]=4 331 B5R0.5 O=[13C](O)[13C](=O)O CNP0502595.0 [0,0,0,0,1,0|3,0,0]=4 332 B7R0.6 C=C(C)CCC(=O)C CNP0003362.0 [0,0,0,0,0,1|0,0,2]=3 333 B7R0.6 CC(=CC=C(C)C)C CNP0084726.0 [0,0,0,0,0,1|1,0,0]=2 334 B7R0.6 CC(=CCC(=O)O)C CNP0178388.0 [0,0,0,0,0,1|1,0,0]=2 335 B7R0.6 CC(=O)C=CC(=O)C CNP0303603.0 [0,0,0,0,0,1|1,0,0]=2 336 B7R0.6 CC(=O)C=CC(=O)O CNP0237218.0 [0,0,0,0,0,1|2,0,0]=3 337 B7R0.6 CC(=O)C=CC(C)C CNP0282647.0 [0,0,0,0,0,1|0,0,1]=2 338 B7R0.6 CC(=O)CCC(=O)C CNP0291926.0 [0,0,0,0,0,1|1,0,1]=3 339 B7R0.6 CC(=O)CCC(=O)O CNP0267906.0 [0,0,0,0,0,1|2,0,1]=4 340 B7R0.6 CC(=O)CCC(=O)[O-] CNP0515624.0 [0,0,0,0,0,1|2,0,1]=4 341 B7R0.6 CC(=O)CCC(=O)[O-] CNP0577778.0 [0,0,0,0,0,1|2,0,1]=4 342 B7R0.6 CC(=O)CCC(C)C CNP0109911.0 [0,0,0,0,0,1|0,0,2]=3 343 B7R0.6 CC(=O)COC(=O)C CNP0316161.0 [0,0,0,0,0,1|1,0,1]=3 344 B7R0.6 CC(=O)COC(C)C CNP0500658.0 [0,0,0,0,0,1|0,0,2]=3 345 B7R0.6 CC(=O)NCC(=O)O CNP0232085.0 [0,0,0,0,0,1|2,0,1]=4 346 B7R0.6 CC(=O)NCC(C)C CNP0330824.0 [0,0,0,0,0,1|0,0,2]=3 347 B7R0.6 CC(=O)NNC(=O)C CNP0226263.0 [0,0,0,0,0,1|2,0,0]=3 348 B7R0.6 CC(=O)NNC(=O)N CNP0300547.0 [0,0,0,0,0,1|3,0,0]=4 349 B7R0.6 CC(=O)NOC(=O)C CNP0050805.0 [0,0,0,0,0,1|2,0,0]=3 350 B7R0.6 CC(=O)OCC(C)C CNP0233943.0 [0,0,0,0,0,1|0,0,2]=3 351 B7R0.6 CC(=O)ONC(=N)N CNP0548365.0 [0,0,0,0,0,1|3,0,0]=4 352 B7R0.6 CC(=O)OOC(=O)C CNP0196667.0 [0,0,0,0,0,1|2,0,0]=3 353 B7R0.6 CC(C)C=CC(=O)Cl CNP0373188.0 [0,0,0,0,0,1|1,0,1]=3 354 B7R0.6 CC(C)C=CC(=O)O CNP0205254.0 [0,0,0,0,0,1|1,0,1]=3 355 B7R0.6 CC(C)CCC(=O)Cl CNP0308408.0 [0,0,0,0,0,1|1,0,2]=4 356 B7R0.6 CC(C)CCC(=O)N CNP0148296.0 [0,0,0,0,0,1|1,0,2]=4 357 B7R0.6 CC(C)CCC(=O)O CNP0414918.0 [0,0,0,0,0,1|1,0,2]=4 358 B7R0.6 CS(C)CCC(=O)O CNP0168459.0 [0,0,0,0,0,1|2,0,1]=4 359 B7R0.6 C[NH+](C)CCC(=O)[O-] CNP0361663.0 [0,0,0,0,0,1|2,0,1]=4 360 B7R0.6 C[S+](C)CCC(=O)O CNP0349807.0 [0,0,0,0,0,1|2,0,1]=4 361 B7R0.6 C[S+](C)CCC(=O)O CNP0550706.0 [0,0,0,0,0,1|2,0,1]=4 362 B7R0.6 C[S+](C)CCC(=O)[O-] CNP0152869.0 [0,0,0,0,0,1|2,0,1]=4 363 B7R0.6 C[S+](C)CCC(=O)[O-] CNP0540473.0 [0,0,0,0,0,1|2,0,1]=4 364 B7R0.6 C[S](C)CCC(=O)O CNP0603322.0 [0,0,0,0,0,1|2,0,1]=4 365 B7R0.6 N=C(N)C=CC(=O)O CNP0421555.0 [0,0,0,0,0,1|3,0,0]=4 366 B7R0.6 N=C(O)C=CC(=O)O CNP0546682.0 [0,0,0,0,0,1|3,0,0]=4 367 B7R0.6 NC(=O)C=CC(=O)N CNP0214096.0 [0,0,0,0,0,1|3,0,0]=4 368 B7R0.6 NC(=O)C=CC(=O)O CNP0299428.0 [0,0,0,0,0,1|3,0,0]=4 369 B7R0.6 O=C(O)C=CC(=O)O CNP0289193.0 [0,0,0,0,0,1|3,0,0]=4 370 B7R0.6 O=C([O-])C=CC(=O)O CNP0594402.0 [0,0,0,0,0,1|3,0,0]=4 371 B7R0.6 O=C([O-])C=CC(=O)[O-] CNP0497869.0 [0,0,0,0,0,1|3,0,0]=4 372 B7R0.6 O=C([O-])C=CC(=O)[O-] CNP0507497.0 [0,0,0,0,0,1|3,0,0]=4 373 B7R0.6 O=C([O-])C=CC(=O)[O-] CNP0533924.0 [0,0,0,0,0,1|3,0,0]=4 374 B7R0.6 O=C([O-])C=CC(=O)[O-] CNP0554203.0 [0,0,0,0,0,1|3,0,0]=4 375 B7R0.6 O=C([O-])C=CC(=O)[O-] CNP0574790.0 [0,0,0,0,0,1|3,0,0]=4 376 B4R0.1 C=C(C)C=O CNP0479149.0 [2,0,0,0,0,0|0,0,1]=3 377 B4R0.1 C=C(C)CC CNP0605035.0 [2,0,0,0,0,0|0,0,2]=4 378 B4R0.1 C=C(O)C=O CNP0542377.0 [2,0,0,0,0,0|1,0,1]=4 379 B4R0.1 C=CC(=C)C CNP0489519.0 [2,0,0,0,0,0|0,0,1]=3 380 B4R0.1 C=CC(=N)N CNP0498731.0 [2,0,0,0,0,0|2,0,0]=4 381 B4R0.1 C=CC(=O)C CNP0571315.0 [2,0,0,0,0,0|0,0,0]=2 382 B4R0.1 C=CC(=O)Cl CNP0569586.0 [2,0,0,0,0,0|1,0,0]=3 383 B4R0.1 C=CC(=O)N CNP0574606.0 [2,0,0,0,0,0|1,0,0]=3 384 B4R0.1 C=CC(=O)O CNP0590547.0 [2,0,0,0,0,0|1,0,0]=3 385 B4R0.1 C=CC(=O)[O-] CNP0528918.0 [2,0,0,0,0,0|1,0,0]=3 386 B4R0.1 C=CC(C)C CNP0589769.0 [2,0,0,0,0,0|0,0,1]=3 387 B4R0.1 C=C[C@@H](C)O CNP0512445.2 [2,0,0,0,0,0|0,0,2]=4 388 B4R0.1 C=C[C@H](C)O CNP0512445.1 [2,0,0,0,0,0|0,0,2]=4 389 B4R0.1 CC(=NO)C CNP0591673.0 [2,0,0,0,0,0|1,0,1]=4 390 B4R0.1 CC(=O)C#N CNP0551952.0 [2,0,0,0,0,0|1,0,1]=4 391 B4R0.1 CC(=O)C=O CNP0574322.0 [2,0,0,0,0,0|1,0,0]=3 392 B4R0.1 CC(=O)CBr CNP0602861.0 [2,0,0,0,0,0|1,0,1]=4 393 B4R0.1 CC(=O)CI CNP0515381.0 [2,0,0,0,0,0|1,0,1]=4 394 B4R0.1 CC(=O)CN CNP0602829.0 [2,0,0,0,0,0|1,0,1]=4 395 B4R0.1 CC(=O)CO CNP0487266.0 [2,0,0,0,0,0|1,0,1]=4 396 B4R0.1 CC(=O)CS CNP0514893.0 [2,0,0,0,0,0|1,0,1]=4 397 B4R0.1 CC(=O)N=N CNP0591627.0 [2,0,0,0,0,0|2,0,0]=4 398 B4R0.1 CC(=O)NN CNP0503904.0 [2,0,0,0,0,0|2,0,0]=4 399 B4R0.1 CC(=O)NO CNP0518042.0 [2,0,0,0,0,0|2,0,0]=4 400 B4R0.1 CC(=O)OO CNP0491052.0 [2,0,0,0,0,0|2,0,0]=4 401 B4R0.1 CC(=O)O[Hg+] CNP0504265.0 [2,0,0,0,0,0|2,0,0]=4 402 B4R0.1 CC(C)C=O CNP0511471.0 [2,0,0,0,0,0|0,0,1]=3 403 B4R0.1 CC(C)C=[17O] CNP0484940.0 [2,0,0,0,0,0|0,0,1]=3 404 B4R0.1 CC(N)C=O CNP0531209.0 [2,0,0,0,0,0|1,0,1]=4 405 B4R0.1 CC=C(C)C CNP0502707.0 [2,0,0,0,0,0|0,0,0]=2 406 B4R0.1 CCC(=O)Br CNP0583620.0 [2,0,0,0,0,0|1,0,1]=4 407 B4R0.1 CCC(=O)C CNP0486447.0 [2,0,0,0,0,0|0,0,1]=3 408 B4R0.1 CCC(=O)Cl CNP0502198.0 [2,0,0,0,0,0|1,0,1]=4 409 B4R0.1 CCC(=O)I CNP0549008.0 [2,0,0,0,0,0|1,0,1]=4 410 B4R0.1 CCC(=O)N CNP0512752.0 [2,0,0,0,0,0|1,0,1]=4 411 B4R0.1 CCC(=O)O CNP0572679.0 [2,0,0,0,0,0|1,0,1]=4 412 B4R0.1 CCC(=O)[O-] CNP0505645.0 [2,0,0,0,0,0|1,0,1]=4 413 B4R0.1 CCC(=O)[O-] CNP0584211.0 [2,0,0,0,0,0|1,0,1]=4 414 B4R0.1 CCC(=O)[O-] CNP0604604.0 [2,0,0,0,0,0|1,0,1]=4 415 B4R0.1 CCC(C)C CNP0492867.0 [2,0,0,0,0,0|0,0,2]=4 416 B4R0.1 CN(C)C=O CNP0566193.0 [2,0,0,0,0,0|1,0,0]=3 417 B4R0.1 CN(C)C=S CNP0516551.0 [2,0,0,0,0,0|1,1,0]=4 418 B4R0.1 CN(C)N=O CNP0503536.0 [2,0,0,0,0,0|2,0,0]=4 419 B4R0.1 CN(N)C=O CNP0593819.0 [2,0,0,0,0,0|2,0,0]=4 420 B4R0.1 CNC(=O)C CNP0491397.0 [2,0,0,0,0,0|1,0,0]=3 421 B4R0.1 CNC(=O)N CNP0576116.0 [2,0,0,0,0,0|2,0,0]=4 422 B4R0.1 CNC(=O)O CNP0594440.0 [2,0,0,0,0,0|2,0,0]=4 423 B4R0.1 CNC(C)C CNP0489071.0 [2,0,0,0,0,0|1,0,1]=4 424 B4R0.1 COC(=O)C CNP0578880.0 [2,0,0,0,0,0|1,0,0]=3 425 B4R0.1 COC(=O)N CNP0575874.0 [2,0,0,0,0,0|2,0,0]=4 426 B4R0.1 CSC(=O)C CNP0491622.0 [2,0,0,0,0,0|1,0,0]=3 427 B4R0.1 CSC(C)C CNP0486491.0 [2,0,0,0,0,0|1,0,1]=4 428 B4R0.1 C[C@@H](O)C=O CNP0482941.1 [2,0,0,0,0,0|1,0,1]=4 429 B4R0.1 C[C@H](O)C=O CNP0482941.2 [2,0,0,0,0,0|1,0,1]=4 430 B4R0.1 C[C](C)C=O CNP0568847.0 [2,0,0,0,0,0|0,0,1]=3 431 B4R0.1 N=CC(=O)O CNP0521453.0 [2,0,0,0,0,0|2,0,0]=4 432 B4R0.1 O=CC(=O)O CNP0571230.0 [2,0,0,0,0,0|2,0,0]=4 433 B4R0.2 C#CC=CC CNP0541501.0 [2,0,0,0,0,0|0,0,2]=4 434 B4R0.2 C=CC=CC CNP0501543.0 [2,0,0,0,0,0|0,0,1]=3 435 B4R0.2 CC=CC#N CNP0588304.0 [2,0,0,0,0,0|1,0,1]=4 436 B4R0.2 CC=CC=O CNP0576575.0 [2,0,0,0,0,0|0,0,0]=2 437 B4R0.2 CC=CCC CNP0524560.0 [2,0,0,0,0,0|0,0,1]=3 438 B4R0.2 CC=CCO CNP0498228.0 [2,0,0,0,0,0|0,0,2]=4 439 B4R0.2 CC=CCS CNP0606069.0 [2,0,0,0,0,0|0,1,1]=4 440 B4R0.2 CC=CSC CNP0587371.0 [2,0,0,0,0,0|1,0,0]=3 441 B4R0.2 CC=CSO CNP0521494.0 [2,0,0,0,0,0|1,0,1]=4 442 B4R0.2 CCC=S=O CNP0514855.0 [2,0,0,0,0,0|1,0,1]=4 443 B4R0.2 CCCC=O CNP0518034.0 [2,0,0,0,0,0|0,0,2]=4 444 B4R0.2 CCOC=O CNP0525155.0 [2,0,0,0,0,0|1,0,1]=4 445 B4R0.2 CN=CC=S CNP0547393.0 [2,0,0,0,0,0|1,1,0]=4 446 B4R0.2 CSCC=O CNP0555203.0 [2,0,0,0,0,0|1,0,1]=4 447 B4R0.2 O=CC=CCl CNP0542132.0 [2,0,0,0,0,0|1,0,0]=3 448 B4R0.2 O=CCC=O CNP0495847.0 [2,0,0,0,0,0|1,0,1]=4 449 B6R0.1 C/C=C/[S@@+]([O-])SC CNP0489846.1 [1,1,0,0,0,0|1,0,1]=4 450 B6R0.1 C/C=C/[S@@H+]([O-])SC CNP0574496.1 [1,1,0,0,0,0|1,0,1]=4 451 B6R0.1 C=CC=C(C)C=C CNP0076815.0 [1,1,0,0,0,0|0,0,2]=4 452 B6R0.1 C=CC=C(C)CO CNP0191364.0 [1,1,0,0,0,0|0,0,1]=3 453 B6R0.1 C=CCC(=O)CC CNP0580605.0 [1,1,0,0,0,0|0,0,2]=4 454 B6R0.1 CC(=CC=O)CO CNP0083852.0 [1,1,0,0,0,0|0,0,0]=2 455 B6R0.1 CC(=CCO)CO CNP0277047.0 [1,1,0,0,0,0|0,0,2]=4 456 B6R0.1 CC=C(C)CSC CNP0003230.0 [1,1,0,0,0,0|1,0,1]=4 457 B6R0.1 CC=CC(=CC)C CNP0535908.0 [1,1,0,0,0,0|0,0,0]=2 458 B6R0.1 CC=CC(=O)CC CNP0127812.0 [1,1,0,0,0,0|0,0,0]=2 459 B6R0.1 CC=CC(=O)OC CNP0003452.0 [1,1,0,0,0,0|0,0,0]=2 460 B6R0.1 CC=CS(=S)OC CNP0560483.0 [1,1,0,0,0,0|1,1,0]=4 461 B6R0.1 CC=NN(C)C=O CNP0241743.0 [1,1,0,0,0,0|2,0,0]=4 462 B6R0.1 CCC(=O)CSC CNP0170567.0 [1,1,0,0,0,0|1,0,1]=4 463 B6R0.1 CCC(C)CC=O CNP0531748.0 [1,1,0,0,0,0|0,0,2]=4 464 B6R0.1 CCC(C)NC=O CNP0583042.0 [1,1,0,0,0,0|1,0,1]=4 465 B6R0.1 CCC(C)OC=O CNP0570369.0 [1,1,0,0,0,0|1,0,1]=4 466 B6R0.1 CCC=C(C)C=O CNP0245615.0 [1,1,0,0,0,0|0,0,1]=3 467 B6R0.1 CCC=C(C)CO CNP0511576.0 [1,1,0,0,0,0|0,0,1]=3 468 B6R0.1 CCCC(=O)CC CNP0248158.0 [1,1,0,0,0,0|0,0,2]=4 469 B6R0.1 CCCC(=O)CO CNP0084314.0 [1,1,0,0,0,0|0,0,2]=4 470 B6R0.1 CCCC(=O)OC CNP0159910.0 [1,1,0,0,0,0|0,0,2]=4 471 B6R0.1 CCCC(=O)SC CNP0084452.0 [1,1,0,0,0,0|0,0,2]=4 472 B6R0.1 CCNC(=O)CC CNP0586892.0 [1,1,0,0,0,0|1,0,1]=4 473 B6R0.1 CCNC(=O)OC CNP0585352.0 [1,1,0,0,0,0|1,0,1]=4 474 B6R0.1 CCOC(=O)CC CNP0169171.0 [1,1,0,0,0,0|1,0,1]=4 475 B6R0.1 CCOC(=O)CI CNP0158474.0 [1,1,0,0,0,0|1,0,1]=4 476 B6R0.1 CCOC(=O)NC CNP0565390.0 [1,1,0,0,0,0|1,0,1]=4 477 B6R0.1 CCSC(=O)CC CNP0265303.0 [1,1,0,0,0,0|1,0,1]=4 478 B6R0.1 CNCC(=O)OC CNP0311286.0 [1,1,0,0,0,0|1,0,1]=4 479 B6R0.1 COC(=O)C=CBr CNP0321764.0 [1,1,0,0,0,0|1,0,0]=3 480 B6R0.1 COC(=O)C=CI CNP0190700.0 [1,1,0,0,0,0|1,0,0]=3 481 B6R0.1 COC(=O)C=NO CNP0235637.0 [1,1,0,0,0,0|2,0,0]=4 482 B6R0.1 COC(=O)CC=O CNP0187576.0 [1,1,0,0,0,0|1,0,1]=4 483 B6R0.1 COC(=O)CSC CNP0189712.0 [1,1,0,0,0,0|1,0,1]=4 484 B6R0.1 COCC(=O)OC CNP0202591.0 [1,1,0,0,0,0|1,0,1]=4 485 B6R0.1 CSC(C)CC=O CNP0002406.0 [1,1,0,0,0,0|0,0,2]=4 486 B6R0.3 C=C(C)C(=O)OC CNP0278102.0 [1,1,0,0,0,0|1,0,1]=4 487 B6R0.3 C=C(CC)C(=O)O CNP0082368.0 [1,1,0,0,0,0|1,0,1]=4 488 B6R0.3 C=C(NC)C(=O)O CNP0542368.0 [1,1,0,0,0,0|2,0,0]=4 489 B6R0.3 C=CC(=O)C(=O)O CNP0593167.0 [1,1,0,0,0,0|1,0,1]=4 490 B6R0.3 C=CC(=O)C(C)C CNP0350661.0 [1,1,0,0,0,0|0,0,2]=4 491 B6R0.3 CC(=C(O)C#N)C CNP0141576.0 [1,1,0,0,0,0|1,0,1]=4 492 B6R0.3 CC(=O)C(=CBr)Br CNP0164912.0 [1,1,0,0,0,0|1,0,0]=3 493 B6R0.3 CC(=O)C(=NO)C CNP0091192.0 [1,1,0,0,0,0|2,0,0]=4 494 B6R0.3 CC(C)C(N)C=O CNP0484074.0 [1,1,0,0,0,0|0,0,2]=4 495 B6R0.3 CC(C)C(N)C=O CNP0491546.0 [1,1,0,0,0,0|0,0,2]=4 496 B6R0.3 CC(C)C(N)C=O CNP0498484.0 [1,1,0,0,0,0|0,0,2]=4 497 B6R0.3 CC=C(C)C(=O)C CNP0119709.0 [1,1,0,0,0,0|0,0,0]=2 498 B6R0.3 CC=C(C)C(=O)N CNP0399229.0 [1,1,0,0,0,0|1,0,0]=3 499 B6R0.3 CC=C(C)C(=O)O CNP0238363.0 [1,1,0,0,0,0|1,0,0]=3 500 B6R0.3 CC=C(N)C(=O)O CNP0146934.0 [1,1,0,0,0,0|1,0,0]=3 501 B6R0.3 CCC(=C(C)C)C CNP0076862.0 [1,1,0,0,0,0|0,0,1]=3 502 B6R0.3 CCC(=O)C(=O)C CNP0311036.0 [1,1,0,0,0,0|0,0,1]=3 503 B6R0.3 CCC(=O)C(=O)O CNP0283357.0 [1,1,0,0,0,0|1,0,1]=4 504 B6R0.3 CCC(=O)C(C)C CNP0169958.0 [1,1,0,0,0,0|0,0,2]=4 505 B6R0.3 CCC(=O)N(C)C CNP0205998.0 [1,1,0,0,0,0|1,0,1]=4 506 B6R0.3 CCC(O)C(=O)C CNP0413470.0 [1,1,0,0,0,0|0,0,2]=4 507 B6R0.3 CCC(S)C(=O)C CNP0064467.0 [1,1,0,0,0,0|0,0,2]=4 508 B6R0.3 CC[C@@H](C)C(=O)C CNP0151175.1 [1,1,0,0,0,0|0,0,2]=4 509 B6R0.3 CC[C@@H](O)C(=O)C CNP0413470.1 [1,1,0,0,0,0|0,0,2]=4 510 B6R0.3 CC[C@H](C)C(=O)C CNP0151175.2 [1,1,0,0,0,0|0,0,2]=4 511 B6R0.3 CNC(=O)C(=O)O CNP0336017.0 [1,1,0,0,0,0|2,0,0]=4 512 B6R0.3 CNC(=O)N(C)C CNP0499080.0 [1,1,0,0,0,0|2,0,0]=4 513 B6R0.3 CNC(=S)N(C)C CNP0368290.0 [1,1,0,0,0,0|2,0,0]=4 514 B6R0.3 COC(=O)C(=O)C CNP0301085.0 [1,1,0,0,0,0|1,0,0]=3 515 B6R0.3 COC(=O)C(=O)Cl CNP0247015.0 [1,1,0,0,0,0|2,0,0]=4 516 B6R0.3 COC(=O)C(=O)O CNP0117987.0 [1,1,0,0,0,0|2,0,0]=4 517 B6R0.3 COC(=O)C(C)C CNP0354997.0 [1,1,0,0,0,0|1,0,1]=4 518 B6R0.3 COC(=S)C(C)C CNP0507266.0 [1,1,0,0,0,0|1,0,1]=4 519 B6R0.3 CO[C@@H](C)C(=O)C CNP0325332.1 [1,1,0,0,0,0|1,0,1]=4 520 B6R0.3 CSC(C)C(=O)C CNP0075921.0 [1,1,0,0,0,0|1,0,1]=4 521 B6R0.3 O=C(O)C(=CBr)Br CNP0109651.0 [1,1,0,0,0,0|2,0,0]=4 522 B6R0.3 O=C(O)C(=CCl)Cl CNP0278545.0 [1,1,0,0,0,0|2,0,0]=4 523 B6R0.3 O=C(O)C(=CI)I CNP0209094.0 [1,1,0,0,0,0|2,0,0]=4 524 B6R0.3 O=C(O)C(=CO)O CNP0197473.0 [1,1,0,0,0,0|2,0,0]=4 525 B6R0.3 O=CC(=O)C(=O)O CNP0106243.0 [1,1,0,0,0,0|2,0,0]=4 526 B6R0.4 C/C=C/S[S@@+](C)[O-] CNP0519070.2 [1,1,0,0,0,0|1,0,1]=4 527 B6R0.4 C/C=C/S[S@@H+](C)[O-] CNP0550380.1 [1,1,0,0,0,0|1,0,1]=4 528 B6R0.4 C/C=C\S[S@@+](C)[O-] CNP0519070.1 [1,1,0,0,0,0|1,0,1]=4 529 B6R0.4 C/C=C\S[S@@H+](C)[O-] CNP0550380.2 [1,1,0,0,0,0|1,0,1]=4 530 B6R0.4 C=CC=CC(=O)O CNP0076475.0 [1,1,0,0,0,0|1,0,1]=4 531 B6R0.4 C=CCCC(=O)C CNP0610109.0 [1,1,0,0,0,0|0,0,2]=4 532 B6R0.4 C=CCOC(=O)C CNP0175648.0 [1,1,0,0,0,0|0,0,2]=4 533 B6R0.4 C=CCSC(=O)C CNP0301401.0 [1,1,0,0,0,0|0,0,2]=4 534 B6R0.4 CC(=CCC=O)C CNP0094675.0 [1,1,0,0,0,0|0,0,0]=2 535 B6R0.4 CC(=CCCN)C CNP0568876.0 [1,1,0,0,0,0|0,0,1]=3 536 B6R0.4 CC(=CCCO)C CNP0410779.0 [1,1,0,0,0,0|0,0,1]=3 537 B6R0.4 CC(=O)CCC=O CNP0261239.0 [1,1,0,0,0,0|1,0,1]=4 538 B6R0.4 CC(=O)NCCN CNP0182526.0 [1,1,0,0,0,0|1,0,1]=4 539 B6R0.4 CC(=O)NCCO CNP0304709.0 [1,1,0,0,0,0|1,0,1]=4 540 B6R0.4 CC(=O)NCCS CNP0516453.0 [1,1,0,0,0,0|1,0,1]=4 541 B6R0.4 CC(=O)OCCI CNP0274212.0 [1,1,0,0,0,0|1,0,1]=4 542 B6R0.4 CC(=O)OCCN CNP0165405.0 [1,1,0,0,0,0|1,0,1]=4 543 B6R0.4 CC(=O)OCCO CNP0589275.0 [1,1,0,0,0,0|1,0,1]=4 544 B6R0.4 CC(C)C=CC=O CNP0003528.0 [1,1,0,0,0,0|0,0,1]=3 545 B6R0.4 CC(C)CCC=O CNP0198082.0 [1,1,0,0,0,0|0,0,2]=4 546 B6R0.4 CC(C)CNC=O CNP0473867.0 [1,1,0,0,0,0|0,0,2]=4 547 B6R0.4 CC(C)COC=O CNP0232692.0 [1,1,0,0,0,0|0,0,2]=4 548 B6R0.4 CC=CC=C(C)C CNP0318303.0 [1,1,0,0,0,0|0,0,0]=2 549 B6R0.4 CC=CCC(=O)O CNP0610144.0 [1,1,0,0,0,0|1,0,0]=3 550 B6R0.4 CC=CCC(C)C CNP0081831.0 [1,1,0,0,0,0|0,0,1]=3 551 B6R0.4 CC=CCC(C)O CNP0217280.0 [1,1,0,0,0,0|0,0,2]=4 552 B6R0.4 CCC=CC(=O)C CNP0129352.0 [1,1,0,0,0,0|0,0,0]=2 553 B6R0.4 CCC=CC(=O)O CNP0185292.0 [1,1,0,0,0,0|1,0,0]=3 554 B6R0.4 CCCC=C(C)O CNP0268446.0 [1,1,0,0,0,0|0,0,2]=4 555 B6R0.4 CCCCC(=O)C CNP0194685.0 [1,1,0,0,0,0|0,0,2]=4 556 B6R0.4 CCCNC(=O)C CNP0115400.0 [1,1,0,0,0,0|0,0,2]=4 557 B6R0.4 CCCOC(=O)C CNP0274142.0 [1,1,0,0,0,0|0,0,2]=4 558 B6R0.4 CCCSC(=O)C CNP0076500.0 [1,1,0,0,0,0|0,0,2]=4 559 B6R0.4 COCC=C(C)C CNP0493784.0 [1,1,0,0,0,0|0,0,1]=3 560 B6R0.4 CSC=CC(=O)N CNP0140289.0 [1,1,0,0,0,0|1,0,0]=3 561 B6R0.4 CSC=CC(=O)O CNP0140653.0 [1,1,0,0,0,0|1,0,0]=3 562 B6R0.4 CSCCC(=O)C CNP0353152.0 [1,1,0,0,0,0|0,0,2]=4 563 B6R0.4 CSCSC(=O)C CNP0232862.0 [1,1,0,0,0,0|1,0,1]=4 564 B6R0.4 C[S+](C)CCC=O CNP0136791.0 [1,1,0,0,0,0|1,0,1]=4 565 B6R0.4 C[S@+]([O-])/C=C/CO CNP0531356.1 [1,1,0,0,0,0|1,0,1]=4 566 B6R0.4 C[S@@+]([O-])/C=C/CO CNP0531356.2 [1,1,0,0,0,0|1,0,1]=4 567 B6R0.4 C[S@H+]([O-])/C=C/CO CNP0529781.1 [1,1,0,0,0,0|1,0,1]=4 568 B6R0.4 NCC=CC(=O)O CNP0250683.0 [1,1,0,0,0,0|1,0,0]=3 569 B6R0.4 O=C(O)C=CCO CNP0097506.0 [1,1,0,0,0,0|1,0,0]=3 570 B6R0.5 CC(C)(C)OC=O CNP0495948.0 [1,1,0,0,0,0|1,0,1]=4 571 B6R0.5 CC=CC(C)(C)C CNP0120515.0 [1,1,0,0,0,0|0,0,1]=3 572 B6R0.5 C[N+](C)(C)C=C[O-] CNP0493805.0 [1,1,0,0,0,0|1,0,1]=4 573 B6R0.5 C[N+](C)(C)CC=O CNP0578871.0 [1,1,0,0,0,0|1,0,1]=4 574 B6R0.7 CC(=O)C(C)(C)Br CNP0058151.0 [0,1,0,0,1,0|0,0,1]=3 575 B6R0.7 CC(=O)C(C)(C)O CNP0323322.0 [0,1,0,0,1,0|0,0,1]=3 576 B6R0.7 CC(C)(C)C(=O)Cl CNP0610070.0 [0,1,0,0,1,0|1,0,1]=4 577 B6R0.7 CC(C)(C)C(=O)O CNP0343251.0 [0,1,0,0,1,0|1,0,1]=4 578 B6R0.7 CC(C)(N)C(=O)O CNP0299823.0 [0,1,0,0,1,0|1,0,1]=4 579 B6R0.7 CC(C)(O)C(=O)O CNP0230065.0 [0,1,0,0,1,0|1,0,1]=4 580 B6R0.7 CN(C)P(=O)(C)C CNP0415109.0 [0,1,0,0,1,0|2,0,0]=4 581 B6R0.7 CN(C)S(=O)(=O)C CNP0085777.0 [0,1,0,0,1,0|2,0,0]=4 582 B8R0.9 CC(=O)C=CC(=O)CO CNP0106535.0 [0,1,0,0,0,1|1,0,0]=3 583 B8R0.9 CC=C(C)CCC(=O)C CNP0152365.0 [0,1,0,0,0,1|0,0,1]=3 584 B8R0.9 CC=C(C)COC(=O)C CNP0535362.0 [0,1,0,0,0,1|0,0,1]=3 585 B8R0.9 CCC(=O)C=CC(=O)C CNP0247275.0 [0,1,0,0,0,1|1,0,0]=3 586 B8R0.9 CCC(=O)CC=C(C)C CNP0559660.0 [0,1,0,0,0,1|0,0,0]=2 587 B8R0.9 CCC(=O)CCC(=O)C CNP0351129.0 [0,1,0,0,0,1|1,0,1]=4 588 B8R0.9 CCC(=O)CCC(C)C CNP0542568.0 [0,1,0,0,0,1|0,0,2]=4 589 B8R0.9 CCC(=O)COC(=O)C CNP0146309.0 [0,1,0,0,0,1|1,0,1]=4 590 B8R0.9 CCC(=O)OCC(C)C CNP0246924.0 [0,1,0,0,0,1|0,0,2]=4 591 B8R0.9 CCC(C)C=CC(=O)C CNP0546315.0 [0,1,0,0,0,1|0,0,1]=3 592 B8R0.9 CCC(C)CCC(=O)C CNP0351126.0 [0,1,0,0,0,1|0,0,2]=4 593 B8R0.9 CC[C@@H](C)/C=C/C(=O)O CNP0190272.2 [0,1,0,0,0,1|1,0,1]=4 594 B8R0.9 CC[C@@H](C)COC(=O)C CNP0147650.2 [0,1,0,0,0,1|0,0,2]=4 595 B8R0.9 CC[C@H](C)/C=C/C(=O)O CNP0190272.1 [0,1,0,0,0,1|1,0,1]=4 596 B8R0.9 CC[C@H](C)COC(=O)C CNP0147650.1 [0,1,0,0,0,1|0,0,2]=4 597 B8R0.9 CNC(=O)/C=C/[S@@+](C)[O-] CNP0536692.1 [0,1,0,0,0,1|2,0,0]=4 598 B8R0.9 CNC(=O)/C=C/[S@@H+](C)[O-] CNP0584087.2 [0,1,0,0,0,1|2,0,0]=4 599 B8R0.9 CNC(=O)/C=C\[S@@+](C)[O-] CNP0536692.2 [0,1,0,0,0,1|2,0,0]=4 600 B8R0.9 CNC(=O)/C=C\[S@@H+](C)[O-] CNP0584087.1 [0,1,0,0,0,1|2,0,0]=4 601 B8R0.9 CNC(=O)CNC(=O)C CNP0066321.0 [0,1,0,0,0,1|1,0,1]=4 602 B8R0.9 COC(=O)C=CC(=O)N CNP0302670.0 [0,1,0,0,0,1|2,0,0]=4 603 B8R0.9 COC(=O)C=CC(=O)O CNP0273242.0 [0,1,0,0,0,1|2,0,0]=4 604 B8R0.9 COC(=O)CC=C(C)C CNP0248108.0 [0,1,0,0,0,1|0,0,0]=2 605 B8R0.9 COC(=O)CCC(=O)C CNP0333853.0 [0,1,0,0,0,1|1,0,1]=4 606 B8R0.9 COC(=O)CCC(C)C CNP0318638.0 [0,1,0,0,0,1|0,0,2]=4 607 B8R0.9 COC(=O)CNC(=O)C CNP0234479.0 [0,1,0,0,0,1|1,0,1]=4 608 B8R0.9 CSC(=O)CCC(C)C CNP0017780.0 [0,1,0,0,0,1|0,0,2]=4 609 B8R0.23 C=C(C)CC(=C)C(=O)C CNP0514203.0 [0,1,0,0,0,1|0,0,1]=3 610 B8R0.23 C=C(CC(=O)O)C(C)C CNP0058320.0 [0,1,0,0,0,1|1,0,1]=4 611 B8R0.23 CC(=CC(=O)Cl)C(C)C CNP0257848.0 [0,1,0,0,0,1|1,0,1]=4 612 B8R0.23 CC(=CC(=O)O)C(C)C CNP0219059.0 [0,1,0,0,0,1|1,0,1]=4 613 B8R0.23 CC(=CC(C)C)C(=O)O CNP0002603.0 [0,1,0,0,0,1|1,0,1]=4 614 B8R0.23 CC(=O)C(=O)CC(C)C CNP0131749.0 [0,1,0,0,0,1|0,0,1]=3 615 B8R0.23 CC(=O)C(O)CC(C)C CNP0003259.0 [0,1,0,0,0,1|0,0,2]=4 616 B8R0.23 CC(=O)C=C(C)C(C)C CNP0033202.0 [0,1,0,0,0,1|0,0,1]=3 617 B8R0.23 CC(=O)CC(=O)C(=O)O CNP0082978.0 [0,1,0,0,0,1|2,0,0]=4 618 B8R0.23 CC(=O)CC(=O)C(C)C CNP0109827.0 [0,1,0,0,0,1|0,0,1]=3 619 B8R0.23 CC(=O)CC(=O)N(C)C CNP0333027.0 [0,1,0,0,0,1|1,0,0]=3 620 B8R0.23 CC(=O)CC(S)C(C)C CNP0610501.0 [0,1,0,0,0,1|0,0,2]=4 621 B8R0.23 CC(=O)C[C@@H](O)C(=O)C CNP0180429.1 [0,1,0,0,0,1|1,0,1]=4 622 B8R0.23 CC(=O)O[C@H](C)C(=O)C CNP0270762.1 [0,1,0,0,0,1|1,0,1]=4 623 B8R0.23 CC(C)CC(=O)C(=O)O CNP0271985.0 [0,1,0,0,0,1|1,0,1]=4 624 B8R0.29 CC(=O)C=CC(C)(C)O CNP0364954.0 [0,1,0,0,0,1|0,0,1]=3 625 B8R0.29 CC(C)(O)C=CC(=O)O CNP0293177.0 [0,1,0,0,0,1|1,0,1]=4 626 B8R0.2 C/C=C(/C)\[C@H](N)C(=O)O CNP0249655.2 [0,2,0,0,0,0|1,0,1]=4 627 B8R0.2 C/C=C(\C)/[C@H](N)C(=O)O CNP0249655.1 [0,2,0,0,0,0|1,0,1]=4 628 B8R0.2 C=C(C(=O)OC)[C@H](C)O CNP0274042.1 [0,2,0,0,0,0|1,0,1]=4 629 B8R0.2 C=C(C)C(=C(Cl)CC)C CNP0076708.0 [0,2,0,0,0,0|1,0,1]=4 630 B8R0.2 C=C(CC)C(C)C(=O)C CNP0579299.0 [0,2,0,0,0,0|0,0,2]=4 631 B8R0.2 CC(=O)C(=O)[C@@H](O)CO CNP0082869.1 [0,2,0,0,0,0|1,0,1]=4 632 B8R0.2 CC=C(C)C(O)C(=O)O CNP0231928.0 [0,2,0,0,0,0|1,0,1]=4 633 B8R0.2 CCC(=C(C)C(=O)C)C CNP0598294.0 [0,2,0,0,0,0|0,0,0]=2 634 B8R0.2 CCC(=O)[C@@H](C)C(=O)C CNP0050073.1 [0,2,0,0,0,0|1,0,1]=4 635 B8R0.2 CC[C@@H](C)C(=O)C(=O)O CNP0163555.2 [0,2,0,0,0,0|1,0,1]=4 636 B8R0.2 CC[C@H](C)C(=O)C(=O)O CNP0163555.1 [0,2,0,0,0,0|1,0,1]=4 637 B8R0.2 COC(=O)C(=O)C(C)C CNP0337448.0 [0,2,0,0,0,0|0,0,1]=3 638 B8R0.2 COC(=O)C(C)C(C)C CNP0354391.0 [0,2,0,0,0,0|0,0,2]=4 639 B8R0.2 COC(=O)C(O)C(C)C CNP0612001.0 [0,2,0,0,0,0|0,0,2]=4 640 B8R0.2 COC(=O)N(O)C(=O)C CNP0298264.0 [0,2,0,0,0,0|2,0,0]=4 641 B8R0.2 COC(=O)[C@@H](N)C(C)C CNP0369647.2 [0,2,0,0,0,0|0,0,2]=4 642 B8R0.2 O=C(CBr)C(=C(Br)Br)Br CNP0305731.0 [0,2,0,0,0,0|2,0,0]=4 643 B8R0.5 CC#CC(=C=C(C)C)C CNP0541704.0 [0,2,0,0,0,0|1,0,1]=4 644 B8R0.5 CC(=CC(=O)O)CCO CNP0227201.0 [0,2,0,0,0,0|1,0,0]=3 645 B8R0.5 CC(=CC=O)CC(C)C CNP0364248.0 [0,2,0,0,0,0|0,0,2]=4 646 B8R0.5 CCCC(=CC(=O)C)C CNP0608479.0 [0,2,0,0,0,0|0,0,0]=2 647 B8R0.5 CCCC(=CC(=O)O)C CNP0329572.0 [0,2,0,0,0,0|1,0,0]=3 648 B8R0.5 CCCC(=O)C=C(C)C CNP0207293.0 [0,2,0,0,0,0|0,0,0]=2 649 B8R0.5 CCCC(=O)CC(=O)C CNP0351307.0 [0,2,0,0,0,0|1,0,1]=4 650 B8R0.5 CCCC(=O)CC(C)C CNP0504556.0 [0,2,0,0,0,0|0,0,2]=4 651 B8R0.5 CCCC(=O)OC(C)C CNP0194975.0 [0,2,0,0,0,0|1,0,1]=4 652 B8R0.5 CCCC(C)CC(=O)C CNP0612236.0 [0,2,0,0,0,0|0,0,2]=4 653 B8R0.5 CCC[C@H](C)OC(=O)C CNP0140745.1 [0,2,0,0,0,0|1,0,1]=4 654 B8R0.5 CCOC(=O)C=C(Br)Br CNP0238604.0 [0,2,0,0,0,0|2,0,0]=4 655 B8R0.5 CCOC(=O)C=C(C)C CNP0502082.0 [0,2,0,0,0,0|0,0,0]=2 656 B8R0.5 CCOC(=O)C=C(Cl)Cl CNP0166336.0 [0,2,0,0,0,0|2,0,0]=4 657 B8R0.5 CCOC(=O)CC(=O)C CNP0003525.0 [0,2,0,0,0,0|1,0,1]=4 658 B8R0.5 CCOC(=O)CC(C)C CNP0224486.0 [0,2,0,0,0,0|0,0,2]=4 659 B8R0.5 CCOC(=O)C[S+](C)C CNP0041723.0 [0,2,0,0,0,0|1,0,1]=4 660 B8R0.5 CCOC(=O)C[S](C)C CNP0481099.0 [0,2,0,0,0,0|1,0,1]=4 661 B8R0.5 COCC(C)OC(=O)C CNP0077230.0 [0,2,0,0,0,0|1,0,1]=4 662 B8R0.16 CC(=O)OC(CCl)CCl CNP0287110.0 [0,2,0,0,0,0|1,0,1]=4 663 B8R0.16 COC(CC(=O)C)OC CNP0151886.0 [0,2,0,0,0,0|0,0,2]=4 664 B8R0.16 CSC(=C[N+](=O)[O-])SC CNP0572355.0 [0,2,0,0,0,0|2,0,0]=4 665 B8R0.16 O=C(O)C=C(CO)CO CNP0103761.0 [0,2,0,0,0,0|1,0,0]=3 666 B8R0.19 CC=C(C)C=C(C)C=O CNP0259001.0 [0,2,0,0,0,0|0,0,0]=2 667 B8R0.19 CC=C(C)C=C(C)CO CNP0307713.0 [0,2,0,0,0,0|0,0,1]=3 668 B8R0.19 CC=C(C)CC(=O)OC CNP0103912.0 [0,2,0,0,0,0|0,0,1]=3 669 B8R0.19 CCC(=CC(=O)OC)C CNP0599334.0 [0,2,0,0,0,0|0,0,0]=2 670 B8R0.19 CCC(=O)C=C(C)CC CNP0594723.0 [0,2,0,0,0,0|0,0,0]=2 671 B8R0.19 CCC(=O)C[C@@H](C)CC CNP0076878.1 [0,2,0,0,0,0|0,0,2]=4 672 B8R0.19 CCC(=O)C[C@H](C)CC CNP0076878.2 [0,2,0,0,0,0|0,0,2]=4 673 B8R0.19 CCC(=O)OC(=O)CC CNP0221754.0 [0,2,0,0,0,0|2,0,0]=4 674 B8R0.19 CCC(=O)O[C@@H](C)CC CNP0151376.1 [0,2,0,0,0,0|1,0,1]=4 675 B8R0.19 CC[C@H](C)CC(=O)OC CNP0302802.1 [0,2,0,0,0,0|0,0,2]=4 676 B8R0.19 CNC(=CC(=O)OC)C CNP0390582.0 [0,2,0,0,0,0|0,0,0]=2 677 B8R0.19 CNC(=O)NC(=O)OC CNP0277536.0 [0,2,0,0,0,0|2,0,0]=4 678 B8R0.19 COC(=O)CC(=O)OC CNP0320608.0 [0,2,0,0,0,0|1,0,1]=4 679 B8R0.19 COC(=O)CC(C)SC CNP0007855.0 [0,2,0,0,0,0|0,0,2]=4 680 B8R0.19 COC(=O)OC(=O)OC CNP0163247.0 [0,2,0,0,0,0|2,0,0]=4 681 B8R0.24 CC(C)(C)NC(=O)CCl CNP0053512.0 [0,2,0,0,0,0|1,0,1]=4 682 B8R0.24 CCC(=O)OC(C)(C)C CNP0611667.0 [0,2,0,0,0,0|1,0,1]=4 683 B8R0.24 COC(=O)CC(C)(C)O CNP0003368.0 [0,2,0,0,0,0|0,0,2]=4 684 B8R0.34 C=CC(C)(C)OC(=O)C CNP0166315.0 [0,2,0,0,0,0|1,0,1]=4 685 B8R0.34 CC(=O)OC(C)(C)C#N CNP0160424.0 [0,2,0,0,0,0|1,0,1]=4 686 B8R0.34 CCC(C)(C)OC(=O)C CNP0609032.0 [0,2,0,0,0,0|1,0,1]=4 687 B8R0.34 CSC(C)(C)CC(=O)C CNP0221853.0 [0,2,0,0,0,0|0,0,2]=4 688 B8R0.18 CC(=O)C(C=N)C(=O)C CNP0124346.0 [0,2,0,0,0,0|1,0,1]=4 689 B6R1.2 C=C1C=CCC1 CNP0269204.0 [1,0,0,1,0,0|0,0,1]=3 690 B6R1.2 CC1=CC=CN1 CNP0003130.0 [1,0,0,1,0,0|1,0,1]=4 691 B6R1.2 CC1=CC=CO1 CNP0204821.0 [1,0,0,1,0,0|0,0,2]=4 692 B6R1.2 CC1=CC=CS1 CNP0308280.0 [1,0,0,1,0,0|0,1,1]=4 693 B6R1.2 CC1=CCCC1 CNP0610106.0 [1,0,0,1,0,0|0,0,1]=3 694 B6R1.2 CC1=CCCS1 CNP0003101.0 [1,0,0,1,0,0|0,1,1]=4 695 B6R1.2 CC1=CCOC1 CNP0516552.0 [1,0,0,1,0,0|0,0,2]=4 696 B6R1.2 CC1=CNC=C1 CNP0578230.0 [1,0,0,1,0,0|1,0,1]=4 697 B6R1.2 CC1=COC=C1 CNP0401605.0 [1,0,0,1,0,0|0,0,2]=4 698 B6R1.2 CC1=COCC1 CNP0002470.0 [1,0,0,1,0,0|1,0,0]=3 699 B6R1.2 CC1=CSC=C1 CNP0153726.0 [1,0,0,1,0,0|0,1,1]=4 700 B6R1.2 CC1=CSSC1 CNP0310441.0 [1,0,0,1,0,0|1,1,0]=4 701 B6R1.2 CC1C=COC1 CNP0165220.0 [1,0,0,1,0,0|0,0,2]=4 702 B6R1.2 C[C@@H]1C=CNC1 CNP0309884.1 [1,0,0,1,0,0|1,0,1]=4 703 B6R1.2 C[N+]1=CCCC1 CNP0251573.0 [1,0,0,1,0,0|1,0,1]=4 704 B6R1.2 O=C1C=CCC1 CNP0122561.0 [1,0,0,1,0,0|0,0,0]=2 705 B6R1.2 O=C1C=CCO1 CNP0253714.0 [1,0,0,1,0,0|1,0,0]=3 706 B6R1.2 O=C1C=CN=N1 CNP0490259.0 [1,0,0,1,0,0|2,0,0]=4 707 B6R1.2 O=C1C=CNO1 CNP0275546.0 [1,0,0,1,0,0|2,0,0]=4 708 B6R1.2 O=C1C=COO1 CNP0482120.0 [1,0,0,1,0,0|2,0,0]=4 709 B6R1.2 O=C1CC=CO1 CNP0494071.0 [1,0,0,1,0,0|1,0,1]=4 710 B6R1.2 O=C1CCCC1 CNP0287963.0 [1,0,0,1,0,0|0,0,2]=4 711 B6R1.2 O=C1CCCN1 CNP0127855.0 [1,0,0,1,0,0|1,0,1]=4 712 B6R1.2 O=C1CCCO1 CNP0315299.0 [1,0,0,1,0,0|1,0,1]=4 713 B6R1.2 O=C1CCCS1 CNP0084584.0 [1,0,0,1,0,0|1,0,1]=4 714 B6R1.2 O=C1CCNN1 CNP0035182.0 [1,0,0,1,0,0|2,0,0]=4 715 B6R1.2 O=C1CCOC1 CNP0051503.0 [1,0,0,1,0,0|1,0,1]=4 716 B6R1.2 O=C1CCON1 CNP0325381.0 [1,0,0,1,0,0|2,0,0]=4 717 B6R1.2 O=C1CCSC1 CNP0003522.0 [1,0,0,1,0,0|1,0,1]=4 718 B6R1.2 O=C1CN=CN1 CNP0321519.0 [1,0,0,1,0,0|2,0,0]=4 719 B6R1.5 C[C@H]1CC(=O)O1 CNP0232064.1 [1,0,0,1,0,0|1,0,1]=4 720 B6R1.4 C[C@@H]1CCC1=O CNP0253900.1 [0,0,0,1,1,0|0,0,1]=3 721 B8R1.3 CC1=CC=C(C=C1)C CNP0227482.0 [0,0,0,1,0,1|1,0,1]=4 722 B8R1.3 CC1=CC=C(N=C1)C CNP0244329.0 [0,0,0,1,0,1|1,0,1]=4 723 B8R1.3 CC1=CCC(=O)CC1 CNP0134778.0 [0,0,0,1,0,1|0,0,0]=2 724 B8R1.3 CC1=CN=C(C=N1)C CNP0257272.0 [0,0,0,1,0,1|1,0,1]=4 725 B8R1.3 CC1=CNC(=O)C=C1 CNP0085670.0 [0,0,0,1,0,1|0,0,2]=4 726 B8R1.3 CC1=NCC(=NC1)C CNP0608420.0 [0,0,0,1,0,1|1,0,1]=4 727 B8R1.3 CC1CCC(=O)CC1 CNP0165916.0 [0,0,0,1,0,1|0,0,2]=4 728 B8R1.3 CC1CCC(=O)CO1 CNP0611860.0 [0,0,0,1,0,1|0,0,2]=4 729 B8R1.3 CN1CCC(=O)CC1 CNP0180189.0 [0,0,0,1,0,1|1,0,1]=4 730 B8R1.3 O=C1C=CC(=O)CC1 CNP0076081.0 [0,0,0,1,0,1|1,0,0]=3 731 B8R1.3 O=C1C=CC(=O)OC1 CNP0611320.0 [0,0,0,1,0,1|2,0,0]=4 732 B8R1.3 O=C1CCC(=O)CC1 CNP0521419.0 [0,0,0,1,0,1|1,0,1]=4 733 B8R1.3 O=C1CCC(=O)OC1 CNP0357956.0 [0,0,0,1,0,1|1,0,1]=4 734 B8R1.51 CC1(C=CC(=O)C1)C CNP0075974.0 [0,0,0,1,0,1|0,0,1]=3 735 B8R1.51 CC1(C=CC(=O)O1)C CNP0375337.0 [0,0,0,1,0,1|1,0,1]=4 736 B8R1.51 CC1(COC(=O)C1)C CNP0084721.0 [0,0,0,1,0,1|0,0,2]=4 737 B8R1.51 CC1=CCS(=O)(=O)C1 CNP0084337.0 [0,0,0,1,0,1|2,0,0]=4 738 B8R1.1 CC1=CC(=NO1)N=O CNP0071254.0 [0,1,0,1,0,0|2,0,0]=4 739 B8R1.1 CC=C1C=C(CC1)C CNP0076579.0 [0,1,0,1,0,0|1,0,0]=3 740 B8R1.1 CCC1=CC(=O)CC1 CNP0307278.0 [0,1,0,1,0,0|0,0,0]=2 741 B8R1.1 CCC1=CCC(=O)O1 CNP0001516.0 [0,1,0,1,0,0|1,0,1]=4 742 B8R1.1 CC[C@@H]1CCC(=O)O1 CNP0276218.2 [0,1,0,1,0,0|1,0,1]=4 743 B8R1.1 CC[C@H]1CCC(=O)O1 CNP0276218.1 [0,1,0,1,0,0|1,0,1]=4 744 B8R1.1 COC1=CC(=O)NC1 CNP0315098.0 [0,1,0,1,0,0|1,0,0]=3 745 B8R1.1 COC1=CC(=O)OC1 CNP0407437.0 [0,1,0,1,0,0|1,0,0]=3 746 B8R1.1 CO[C@@H]1CCC(=O)N1 CNP0302885.1 [0,1,0,1,0,0|1,0,1]=4 747 B8R1.1 NCC1=CC(=O)NO1 CNP0492109.0 [0,1,0,1,0,0|2,0,0]=4 748 B8R1.1 NC[C@H]1CCC(=O)O1 CNP0474294.1 [0,1,0,1,0,0|1,0,1]=4 749 B8R1.1 O=C1C=C(CO1)CO CNP0230672.0 [0,1,0,1,0,0|1,0,0]=3 750 B8R1.1 O=C1CCC(=N1)NO CNP0611972.0 [0,1,0,1,0,0|2,0,0]=4 751 B8R1.1 O=C1CCC(=NO)N1 CNP0248751.0 [0,1,0,1,0,0|2,0,0]=4 752 B8R1.1 O=C1CC[C@@H](C1)CO CNP0540442.1 [0,1,0,1,0,0|0,0,2]=4 753 B8R1.1 O=C1CC[C@@H](N1)CBr CNP0024090.1 [0,1,0,1,0,0|1,0,1]=4 754 B8R1.1 O=C1CC[C@@H](O1)CBr CNP0033303.1 [0,1,0,1,0,0|1,0,1]=4 755 B8R1.1 O=C1CC[C@@H](O1)CO CNP0117294.2 [0,1,0,1,0,0|1,0,1]=4 756 B8R1.1 O=C1CC[C@H](O1)CO CNP0117294.1 [0,1,0,1,0,0|1,0,1]=4 757 B8R1.4 CC1=CC(=O)C=CN1 CNP0513735.0 [0,1,0,1,0,0|0,0,2]=4 758 B8R1.4 CC1=CC(=O)C=CO1 CNP0179458.0 [0,1,0,1,0,0|0,0,2]=4 759 B8R1.4 CC1=CC(=O)CCC1 CNP0209762.0 [0,1,0,1,0,0|0,0,0]=2 760 B8R1.4 CC1=CC(=O)CCO1 CNP0226568.0 [0,1,0,1,0,0|0,0,0]=2 761 B8R1.4 CC1=CC(=O)OCC1 CNP0413900.0 [0,1,0,1,0,0|0,0,0]=2 762 B8R1.4 CC1=CC(CCC1)C CNP0085833.0 [0,1,0,1,0,0|1,0,1]=4 763 B8R1.4 CC1=CC=CC(=C1)C CNP0152592.0 [0,1,0,1,0,0|1,0,1]=4 764 B8R1.4 CC1=CC=NC(=C1)C CNP0143367.0 [0,1,0,1,0,0|1,0,1]=4 765 B8R1.4 CC1=CCCC(=C1)C CNP0118398.0 [0,1,0,1,0,0|1,0,0]=3 766 B8R1.4 CC1=CCCC(=O)C1 CNP0076330.0 [0,1,0,1,0,0|0,0,1]=3 767 B8R1.4 CC1=CN=CC(=C1)C CNP0366505.0 [0,1,0,1,0,0|1,0,1]=4 768 B8R1.4 CC1=CSCC(=O)N1 CNP0035027.0 [0,1,0,1,0,0|1,0,1]=4 769 B8R1.4 CC1=C[C@@H](CCC1)O CNP0215038.1 [0,1,0,1,0,0|0,0,2]=4 770 B8R1.4 CC1CCOC(=O)C1 CNP0282964.0 [0,1,0,1,0,0|0,0,2]=4 771 B8R1.4 C[C@@H]1CCCC(=O)C1 CNP0243495.2 [0,1,0,1,0,0|0,0,2]=4 772 B8R1.4 C[C@@H]1CCCC(=O)O1 CNP0340427.1 [0,1,0,1,0,0|1,0,1]=4 773 B8R1.4 C[C@H]1CCCC(=O)C1 CNP0243495.1 [0,1,0,1,0,0|0,0,2]=4 774 B8R1.4 C[C@H]1CCCC(=O)O1 CNP0340427.2 [0,1,0,1,0,0|1,0,1]=4 775 B8R1.4 O=C1C=C(CCC1)O CNP0445529.0 [0,1,0,1,0,0|1,0,0]=3 776 B8R1.4 O=C1C=C(CCO1)O CNP0610564.0 [0,1,0,1,0,0|1,0,0]=3 777 B8R1.4 O=C1CCCC(=O)O1 CNP0609625.0 [0,1,0,1,0,0|2,0,0]=4 778 B8R1.4 O=C1CCNC(=O)N1 CNP0329983.0 [0,1,0,1,0,0|2,0,0]=4 779 B8R1.18 CC1=CC(=C(N1)C)C CNP0194129.0 [0,1,0,1,0,0|1,0,0]=3 780 B8R1.18 CC1=CC(=C(O1)C)C CNP0302629.0 [0,1,0,1,0,0|0,0,1]=3 781 B8R1.18 CC1=CC(=C(O1)C)S CNP0277106.0 [0,1,0,1,0,0|1,0,1]=4 782 B8R1.18 CC1=CC(=O)CC1C CNP0529519.0 [0,1,0,1,0,0|0,0,0]=2 783 B8R1.18 CC1=CC(=O)NC1=O CNP0134947.0 [0,1,0,1,0,0|1,0,1]=4 784 B8R1.18 CC1=CC(=O)N[C@@H]1O CNP0160164.1 [0,1,0,1,0,0|1,0,0]=3 785 B8R1.18 CC1=CC(=O)OC1=O CNP0323366.0 [0,1,0,1,0,0|1,0,1]=4 786 B8R1.18 CC1=C[C@@H](OC1=O)C CNP0153063.2 [0,1,0,1,0,0|1,0,1]=4 787 B8R1.18 CC1=C[C@H](OC1=O)C CNP0153063.1 [0,1,0,1,0,0|1,0,1]=4 788 B8R1.18 CC1=NC(=C(O1)C)C CNP0297316.0 [0,1,0,1,0,0|1,0,1]=4 789 B8R1.18 CC1=NC(=C(S1)C)C CNP0077136.0 [0,1,0,1,0,0|1,1,0]=4 790 B8R1.18 CC1CC(=O)OC1=O CNP0605808.0 [0,1,0,1,0,0|2,0,0]=4 791 B8R1.18 CC1CC(C(=O)O1)N CNP0391379.0 [0,1,0,1,0,0|1,0,1]=4 792 B8R1.18 CC1CN(NC1=O)C CNP0529089.0 [0,1,0,1,0,0|2,0,0]=4 793 B8R1.18 CN1CC(=NC1=O)O CNP0592460.0 [0,1,0,1,0,0|2,0,0]=4 794 B8R1.18 CN1CC(=O)N=C1N CNP0309599.0 [0,1,0,1,0,0|2,0,0]=4 795 B8R1.18 CN1CC(=O)NC1=N CNP0525234.0 [0,1,0,1,0,0|2,0,0]=4 796 B8R1.18 CN1CC(=O)NC1=O CNP0220202.0 [0,1,0,1,0,0|2,0,0]=4 797 B8R1.18 C[C@@H]1C=C(C(=O)C1)O CNP0171928.1 [0,1,0,1,0,0|1,0,1]=4 798 B8R1.18 C[C@@H]1CC(=O)O[C@H]1C CNP0262923.2 [0,1,0,1,0,0|1,0,1]=4 799 B8R1.18 C[C@@H]1C[C@@H](C(=O)O1)C CNP0247990.1 [0,1,0,1,0,0|1,0,1]=4 800 B8R1.18 C[C@@H]1C[C@@H](C(=O)O1)O CNP0321716.1 [0,1,0,1,0,0|1,0,1]=4 801 B8R1.18 C[C@@H]1OC(=O)C=C1O CNP0159681.2 [0,1,0,1,0,0|2,0,0]=4 802 B8R1.18 C[C@H]1CC(=O)O[C@@H]1C CNP0262923.1 [0,1,0,1,0,0|1,0,1]=4 803 B8R1.18 C[C@H]1OC(=O)C=C1O CNP0159681.1 [0,1,0,1,0,0|2,0,0]=4 804 B8R1.18 N[C@H]1CC(=NC1=O)O CNP0547407.1 [0,1,0,1,0,0|2,0,0]=4 805 B8R1.50 CC1=C(C(=N)CC1)O CNP0038308.0 [0,1,0,1,0,0|1,0,0]=3 806 B8R1.50 CC1=C(C(=O)CC1)C CNP0395678.0 [0,1,0,1,0,0|0,0,0]=2 807 B8R1.50 CC1=C(C(=O)CC1)O CNP0301474.0 [0,1,0,1,0,0|0,0,0]=2 808 B8R1.50 CC1=C(C(=O)CO1)O CNP0262412.0 [0,1,0,1,0,0|1,0,0]=3 809 B8R1.50 CC1=C(C(=O)CS1)O CNP0354400.0 [0,1,0,1,0,0|1,0,0]=3 810 B8R1.50 CC1=C(C(=O)CS1)S CNP0358297.0 [0,1,0,1,0,0|1,0,0]=3 811 B8R1.50 CC1=C(C(CC1)C)C CNP0610113.0 [0,1,0,1,0,0|1,0,1]=4 812 B8R1.50 CC1=CCC(=C1C)C CNP0578082.0 [0,1,0,1,0,0|1,0,0]=3 813 B8R1.50 CC1=CC[C@@H](C1=O)C CNP0035485.1 [0,1,0,1,0,0|1,0,1]=4 814 B8R1.50 CC1=CC[C@H](C1=O)C CNP0035485.2 [0,1,0,1,0,0|1,0,1]=4 815 B8R1.50 CC1C(=O)CCC1=O CNP0193836.0 [0,1,0,1,0,0|1,0,1]=4 816 B8R1.50 C[C@H]1CCC(=O)C1=O CNP0124225.1 [0,1,0,1,0,0|0,0,1]=3 817 B8R1.50 O=C1CCC(=C1O)O CNP0157820.0 [0,1,0,1,0,0|1,0,0]=3 818 B8R1.50 O=C1CCC(=O)N1O CNP0059109.0 [0,1,0,1,0,0|2,0,0]=4 819 B8R1.50 O=C1OCC(=C1O)O CNP0612147.0 [0,1,0,1,0,0|2,0,0]=4 820 B8R0.28 C=C(C)C=CCC(=C)C CNP0611898.0 [0,0,0,0,0,2|1,0,1]=4 821 B8R0.28 C=C(C)CCC=C(C)C CNP0075848.0 [0,0,0,0,0,2|1,0,0]=3 822 B8R0.28 C=C(C)CCCC(=O)C CNP0188769.0 [0,0,0,0,0,2|0,0,2]=4 823 B8R0.28 C=C(C)CCOC(=O)C CNP0331473.0 [0,0,0,0,0,2|0,0,2]=4 824 B8R0.28 CC(=CC=CC(C)C)C CNP0313251.0 [0,0,0,0,0,2|1,0,1]=4 825 B8R0.28 CC(=CCC=C(C)C)C CNP0564316.0 [0,0,0,0,0,2|1,0,0]=3 826 B8R0.28 CC(=CCC[C@@H](C)O)C CNP0250398.2 [0,0,0,0,0,2|0,0,2]=4 827 B8R0.28 CC(=CCC[C@H](C)O)C CNP0250398.1 [0,0,0,0,0,2|0,0,2]=4 828 B8R0.28 CC(=CCN=C(N)N)C CNP0252546.0 [0,0,0,0,0,2|2,0,0]=4 829 B8R0.28 CC(=CCNC(=N)N)C CNP0549417.0 [0,0,0,0,0,2|2,0,0]=4 830 B8R0.28 CC(=CCNC(=O)N)C CNP0278805.0 [0,0,0,0,0,2|1,0,0]=3 831 B8R0.28 CC(=O)C#CC=C(C)C CNP0173705.0 [0,0,0,0,0,2|0,0,0]=2 832 B8R0.28 CC(=O)C=CC=C(C)C CNP0275973.0 [0,0,0,0,0,2|0,0,0]=2 833 B8R0.28 CC(=O)C=CCC(C)C CNP0400137.0 [0,0,0,0,0,2|0,0,1]=3 834 B8R0.28 CC(=O)CCC=C(C)C CNP0330890.0 [0,0,0,0,0,2|0,0,0]=2 835 B8R0.28 CC(=O)CCCC(=O)C CNP0084433.0 [0,0,0,0,0,2|1,0,1]=4 836 B8R0.28 CC(=O)CCCC(C)C CNP0354382.0 [0,0,0,0,0,2|0,0,2]=4 837 B8R0.28 CC(=O)CCOC(=O)C CNP0480131.0 [0,0,0,0,0,2|1,0,1]=4 838 B8R0.28 CC(=O)NCCC(C)C CNP0189958.0 [0,0,0,0,0,2|0,0,2]=4 839 B8R0.28 CC(=O)OCC=C(C)C CNP0164397.0 [0,0,0,0,0,2|0,0,0]=2 840 B8R0.28 CC(=O)OCCC(C)C CNP0303079.0 [0,0,0,0,0,2|0,0,2]=4 841 B8R0.28 CC(=O)SCC=C(C)C CNP0138994.0 [0,0,0,0,0,2|0,0,0]=2 842 B8R0.28 CC(C)C=CCC(=O)O CNP0441019.0 [0,0,0,0,0,2|1,0,1]=4