0 B7R0.9 C=C(C)CC(C)(C)C CNP0205743.0 [0,0,0,0,0,0|3,0,0]=3 1 B7R0.9 CC(=O)CC(C)(C)N CNP0308677.0 [0,0,0,0,0,0|3,0,0]=3 2 B7R0.9 CC(=O)CC(C)(C)O CNP0333881.0 [0,0,0,0,0,0|3,0,0]=3 3 B7R0.9 CC(=O)CC(C)(C)S CNP0003365.0 [0,0,0,0,0,0|3,0,0]=3 4 B7R0.9 CC(=O)C[N+](C)(C)C CNP0490253.0 [0,0,0,0,0,0|1,0,0]=1 5 B7R0.9 CC(C)(C)NC(=O)N CNP0541950.0 [0,0,0,0,0,0|3,0,0]=3 6 B7R0.9 CC(C)(O)CC(=O)O CNP0284455.0 [0,0,0,0,0,0|2,0,0]=2 7 B7R0.9 CC(C)CC(C)(C)C CNP0079943.0 [0,0,0,0,0,0|3,0,1]=4 8 B7R0.9 C[As+](C)(C)CC(=O)O CNP0017752.0 [0,0,0,0,0,0|0,1,0]=1 9 B7R0.9 C[As+](C)(C)CC(=O)[O-] CNP0085594.0 [0,0,0,0,0,0|0,1,1]=2 10 B7R0.9 C[C@@H](O)CC(C)(C)O CNP0352838.2 [0,0,0,0,0,0|3,0,1]=4 11 B7R0.9 C[C@H](O)CC(C)(C)O CNP0352838.1 [0,0,0,0,0,0|3,0,1]=4 12 B7R0.9 C[N+](C)(C)CC(=O)N CNP0509431.0 [0,0,0,0,0,0|1,0,0]=1 13 B7R0.9 C[N+](C)(C)CC(=O)N CNP0510669.0 [0,0,0,0,0,0|1,0,0]=1 14 B7R0.9 C[N+](C)(C)CC(=O)O CNP0143060.0 [0,0,0,0,0,0|0,0,0]=0 15 B7R0.9 C[N+](C)(C)CC(=O)O CNP0558485.0 [0,0,0,0,0,0|0,0,0]=0 16 B7R0.9 C[N+](C)(C)CC(=O)[O-] CNP0508048.0 [0,0,0,0,0,0|0,0,1]=1 17 B7R0.9 C[N+](C)(C)CC(=O)[O-] CNP0513647.0 [0,0,0,0,0,0|0,0,1]=1 18 B7R0.9 C[N+](C)(C)CC(O)O CNP0500510.0 [0,0,0,0,0,0|0,0,2]=2 19 B7R0.9 O=C(O)CP(=O)(O)O CNP0167519.0 [0,0,0,0,0,0|3,1,0]=4 20 B7R0.9 O=C(O)CS(=O)(=O)O CNP0082810.0 [0,0,0,0,0,0|4,0,0]=4 21 B6R0.2 C=C(C)CC(=O)C CNP0331918.0 [1,0,0,0,0,0|2,0,1]=4 22 B6R0.2 C=C(N)CC(=O)O CNP0312147.0 [1,0,0,0,0,0|2,0,1]=4 23 B6R0.2 C=C(O)CC(=O)O CNP0082070.0 [1,0,0,0,0,0|2,0,1]=4 24 B6R0.2 CC(=CC(=O)Cl)C CNP0301599.0 [1,0,0,0,0,0|2,0,1]=4 25 B6R0.2 CC(=CC(=O)N)C CNP0186116.0 [1,0,0,0,0,0|2,0,1]=4 26 B6R0.2 CC(=CC(=O)O)C CNP0191929.0 [1,0,0,0,0,0|1,0,1]=3 27 B6R0.2 CC(=CC(=O)O)O CNP0487751.0 [1,0,0,0,0,0|2,0,1]=4 28 B6R0.2 CC(=C[13C](=O)C)C CNP0541964.0 [1,0,0,0,0,0|2,0,1]=4 29 B6R0.2 CC(=N)CC(=O)C CNP0178786.0 [1,0,0,0,0,0|3,0,0]=4 30 B6R0.2 CC(=O)C=C(C)C CNP0258331.0 [1,0,0,0,0,0|2,0,1]=4 31 B6R0.2 CC(=O)CC(=O)C CNP0267628.0 [1,0,0,0,0,0|3,0,0]=4 32 B6R0.2 CC(=O)CC(=O)N CNP0237689.0 [1,0,0,0,0,0|3,0,0]=4 33 B6R0.2 CC(=O)CC(=O)O CNP0286292.0 [1,0,0,0,0,0|2,0,0]=3 34 B6R0.2 CC(=O)CC(C)C CNP0178924.0 [1,0,0,0,0,0|2,0,0]=3 35 B6R0.2 CC(=O)C[C@@H](C)O CNP0209002.1 [1,0,0,0,0,0|3,0,0]=4 36 B6R0.2 CC(=O)C[C@H](C)O CNP0209002.2 [1,0,0,0,0,0|3,0,0]=4 37 B6R0.2 CC(=O)OC(C)C CNP0234567.0 [1,0,0,0,0,0|3,0,0]=4 38 B6R0.2 CC(C)CC(=O)N CNP0512695.0 [1,0,0,0,0,0|2,0,0]=3 39 B6R0.2 CC(C)CC(C)O CNP0493734.0 [1,0,0,0,0,0|2,0,1]=4 40 B6R0.2 CC(C)NC(=O)N CNP0331187.0 [1,0,0,0,0,0|3,0,0]=4 41 B6R0.2 CC(O)CC(=O)N CNP0217857.0 [1,0,0,0,0,0|3,0,0]=4 42 B6R0.2 CN(C)CC(=O)Cl CNP0017846.0 [1,0,0,0,0,0|1,0,1]=3 43 B6R0.2 CN(C)CC(=O)N CNP0045146.0 [1,0,0,0,0,0|1,0,1]=3 44 B6R0.2 CN(C)CC(=O)O CNP0175140.0 [1,0,0,0,0,0|0,0,1]=2 45 B6R0.2 C[C@@H](N)CC(=O)O CNP0287180.2 [1,0,0,0,0,0|2,0,0]=3 46 B6R0.2 C[C@@H](O)CC(=O)O CNP0161860.1 [1,0,0,0,0,0|2,0,0]=3 47 B6R0.2 C[C@H](N)CC(=O)O CNP0287180.1 [1,0,0,0,0,0|2,0,0]=3 48 B6R0.2 C[C@H](O)CC(=O)O CNP0161860.2 [1,0,0,0,0,0|2,0,0]=3 49 B6R0.2 C[C@H]([13CH3])CC(=O)O CNP0175489.1 [1,0,0,0,0,0|1,0,0]=2 50 B6R0.2 C[C](C)CC(=O)O CNP0606523.0 [1,0,0,0,0,0|1,0,0]=2 51 B6R0.2 C[S+](C)CC(=O)O CNP0149325.0 [1,0,0,0,0,0|1,0,0]=2 52 B6R0.2 C[S+](C)CC(=O)[O-] CNP0153505.0 [1,0,0,0,0,0|1,0,1]=3 53 B6R0.2 NC(=O)CC(=O)O CNP0514577.0 [1,0,0,0,0,0|3,0,0]=4 54 B6R0.2 O=C(O)CC(=O)O CNP0327247.0 [1,0,0,0,0,0|3,0,0]=4 55 B6R0.5 CC(C)(C)OC=O CNP0495948.0 [1,0,0,0,0,0|2,0,0]=3 56 B6R0.5 CC(C)(S)CCO CNP0215542.0 [1,0,0,0,0,0|2,0,1]=4 57 B6R0.5 CC=CC(C)(C)C CNP0120515.0 [1,0,0,0,0,0|2,0,1]=4 58 B6R0.5 CCCC(C)(C)C CNP0308764.0 [1,0,0,0,0,0|2,0,1]=4 59 B6R0.5 CCC[N+](C)(C)C CNP0523784.0 [1,0,0,0,0,0|1,0,1]=3 60 B6R0.5 C[As+](C)(C)CCO CNP0083842.0 [1,0,0,0,0,0|0,1,1]=3 61 B6R0.5 C[As](=O)(C)CCO CNP0236295.0 [1,0,0,0,0,0|1,1,1]=4 62 B6R0.5 C[N+](C)(C)C=C[O-] CNP0493805.0 [1,0,0,0,0,0|0,0,2]=3 63 B6R0.5 C[N+](C)(C)CC=O CNP0578871.0 [1,0,0,0,0,0|0,0,0]=1 64 B6R0.5 C[N+](C)(C)CCO CNP0161849.0 [1,0,0,0,0,0|0,0,1]=2 65 B6R0.5 C[N+](C)(C)CCO CNP0522731.0 [1,0,0,0,0,0|0,0,1]=2 66 B6R0.5 C[N+](C)(C)CCS CNP0555759.0 [1,0,0,0,0,0|0,1,1]=3 67 B6R0.5 C[N+](C)([11CH3])CCO CNP0547808.0 [1,0,0,0,0,0|0,0,1]=2 68 B6R0.5 C[N+](C)([11CH3])CCO CNP0580308.0 [1,0,0,0,0,0|0,0,1]=2 69 B6R0.5 C[S+](=O)(C)CCO CNP0428132.0 [1,0,0,0,0,0|2,0,1]=4 70 B8R0.24 C=C(C[N+](C)(C)C)OC CNP0599697.0 [0,1,0,0,0,0|1,0,0]=2 71 B8R0.24 CC(=NO)CC(C)(C)N CNP0278445.0 [0,1,0,0,0,0|3,0,0]=4 72 B8R0.24 CC(=NO)CC(C)(C)O CNP0122386.0 [0,1,0,0,0,0|3,0,0]=4 73 B8R0.24 CC(C)(C)NC(=O)CCl CNP0053512.0 [0,1,0,0,0,0|3,0,0]=4 74 B8R0.24 CC(C)(C)OC(=O)NN CNP0500094.0 [0,1,0,0,0,0|3,0,0]=4 75 B8R0.24 CC=C(C)CC(C)(C)C CNP0003427.0 [0,1,0,0,0,0|3,0,0]=4 76 B8R0.24 CCC(=O)OC(C)(C)C CNP0611667.0 [0,1,0,0,0,0|3,0,0]=4 77 B8R0.24 COC(=O)CC(C)(C)O CNP0003368.0 [0,1,0,0,0,0|2,0,0]=3 78 B8R0.24 COC(C)C[N+](C)(C)C CNP0501897.0 [0,1,0,0,0,0|1,0,1]=3 79 B8R0.27 CC(C)(C)[C@@H](N)C(=O)N CNP0245908.1 [0,1,0,0,0,0|2,0,0]=3 80 B8R0.27 CC(C)(C)[C@@H](N)C(=O)O CNP0182487.1 [0,1,0,0,0,0|1,0,0]=2 81 B8R0.27 CC(C)(C)[C@H](N)C(=O)N CNP0245908.2 [0,1,0,0,0,0|2,0,0]=3 82 B8R0.27 CC(C)(C)[C@H](N)C(=O)O CNP0182487.2 [0,1,0,0,0,0|1,0,0]=2 83 B8R0.27 CC(C)(N)[C@@H](O)C(=O)O CNP0191312.1 [0,1,0,0,0,0|2,0,0]=3 84 B8R0.27 CC(C)(O)[C@@H](O)C(=O)O CNP0224141.1 [0,1,0,0,0,0|2,0,0]=3 85 B8R0.27 CC(C)(O)[C@H](N)C(=O)O CNP0258599.1 [0,1,0,0,0,0|2,0,0]=3 86 B8R0.27 CC(C)(O)[C@H](O)C(=O)O CNP0224141.2 [0,1,0,0,0,0|2,0,0]=3 87 B8R0.27 CC(C)(S)[C@@H](N)C(=O)O CNP0419440.1 [0,1,0,0,0,0|2,0,0]=3 88 B8R0.27 CC(C)(S)[C@H](N)C(=O)O CNP0419440.2 [0,1,0,0,0,0|2,0,0]=3 89 B8R0.27 C[C@@H](C(=O)[O-])[N+](C)(C)C CNP0588198.1 [0,1,0,0,0,0|0,0,1]=2 90 B8R0.27 C[C@H]([C@H]([O-])O)[N+](C)(C)C CNP0440483.1 [0,1,0,0,0,0|0,0,2]=3 91 B8R0.33 C[N+](C)([O-])CP(=O)(O)O CNP0515779.0 [0,1,0,0,0,0|2,0,0]=3 92 B8R0.34 C=C(C)CC(C)(C)CO CNP0600744.0 [0,1,0,0,0,0|3,0,0]=4 93 B8R0.34 CCC(C)(C)OC(=O)C CNP0609032.0 [0,1,0,0,0,0|3,0,0]=4 94 B8R0.34 CC[C@@](C)(O)CC(=O)O CNP0379279.1 [0,1,0,0,0,0|2,0,0]=3 95 B8R0.34 CSC(C)(C)CC(=O)C CNP0221853.0 [0,1,0,0,0,0|2,0,0]=3 96 B8R1.51 CC1(C=CC(=O)C1)C CNP0075974.0 [0,0,0,1,0,0|2,0,1]=4 97 B8R1.51 CC1(COC(=O)C1)C CNP0084721.0 [0,0,0,1,0,0|1,0,0]=2 98 B8R1.51 CC1=NC(CO1)(C)C CNP0063673.0 [0,0,0,1,0,0|3,0,0]=4 99 B8R1.77 CC1(N[C@@H]1C(=O)O)C CNP0357340.1 [0,0,0,1,0,0|2,0,0]=3 100 B6R0.7 CC(=O)C(C)(C)Br CNP0058151.0 [0,0,0,0,1,0|3,0,0]=4 101 B6R0.7 CC(=O)C(C)(C)O CNP0323322.0 [0,0,0,0,1,0|3,0,0]=4 102 B6R0.7 CC(C)(C)C(=O)Cl CNP0610070.0 [0,0,0,0,1,0|2,0,0]=3 103 B6R0.7 CC(C)(C)C(=O)O CNP0343251.0 [0,0,0,0,1,0|1,0,0]=2 104 B6R0.7 CC(C)(N)C(=O)O CNP0299823.0 [0,0,0,0,1,0|2,0,0]=3 105 B6R0.7 CC(C)(O)C(=O)O CNP0230065.0 [0,0,0,0,1,0|2,0,0]=3 106 B8R0.29 CC(C)(O)C=CC(=O)O CNP0293177.0 [0,0,0,0,0,1|2,0,1]=4 107 B8R0.29 CS(=O)(=O)CCC(=O)O CNP0352253.0 [0,0,0,0,0,1|3,0,0]=4 108 B8R0.29 C[As+](C)(C)CCC(=O)[O-] CNP0065909.0 [0,0,0,0,0,1|0,1,1]=3 109 B8R0.29 C[N+](C)(C)CCC(=O)[O-] CNP0359196.0 [0,0,0,0,0,1|0,0,1]=2 110 B5R0.1 C#CCC(=O)O CNP0049385.0 [2,0,0,0,0,0|1,0,1]=4 111 B5R0.1 C=C(O)CCC CNP0003382.0 [2,0,0,0,0,0|2,0,0]=4 112 B5R0.1 C=CCC(=O)O CNP0172155.0 [2,0,0,0,0,0|1,0,1]=4 113 B5R0.1 C=CCC(C)C CNP0293683.0 [2,0,0,0,0,0|2,0,0]=4 114 B5R0.1 CC(=CC=O)C CNP0325416.0 [2,0,0,0,0,0|1,0,1]=4 115 B5R0.1 CC(C)C=CO CNP0546358.0 [2,0,0,0,0,0|1,0,1]=4 116 B5R0.1 CC(C)CC=O CNP0200023.0 [2,0,0,0,0,0|1,0,0]=3 117 B5R0.1 CC(C)CCO CNP0115711.0 [2,0,0,0,0,0|1,0,1]=4 118 B5R0.1 CC(C)CNO CNP0343206.0 [2,0,0,0,0,0|2,0,0]=4 119 B5R0.1 CC(C)OC=O CNP0079775.0 [2,0,0,0,0,0|2,0,0]=4 120 B5R0.1 CC=CC(=O)O CNP0379669.0 [2,0,0,0,0,0|1,0,1]=4 121 B5R0.1 CCCC(=O)C CNP0169448.0 [2,0,0,0,0,0|2,0,0]=4 122 B5R0.1 CCCC(=O)N CNP0115101.0 [2,0,0,0,0,0|2,0,0]=4 123 B5R0.1 CCCC(=O)O CNP0259447.0 [2,0,0,0,0,0|1,0,0]=3 124 B5R0.1 CCCC(=O)[O-] CNP0521413.0 [2,0,0,0,0,0|1,0,1]=4 125 B5R0.1 CCOC(=O)O CNP0166515.0 [2,0,0,0,0,0|2,0,0]=4 126 B5R0.1 CN(C)CCO CNP0230038.0 [2,0,0,0,0,0|0,0,2]=4 127 B5R0.1 CNCC(=O)O CNP0307073.0 [2,0,0,0,0,0|0,0,1]=3 128 B5R0.1 CNCC(=O)O CNP0563704.0 [2,0,0,0,0,0|0,0,1]=3 129 B5R0.1 CNCC(=O)[O-] CNP0565920.0 [2,0,0,0,0,0|0,0,2]=4 130 B5R0.1 COCC(=O)C CNP0581024.0 [2,0,0,0,0,0|2,0,0]=4 131 B5R0.1 COCC(=O)O CNP0343219.0 [2,0,0,0,0,0|1,0,0]=3 132 B5R0.1 CSCC(=O)C CNP0002513.0 [2,0,0,0,0,0|2,0,0]=4 133 B5R0.1 CSCC(=O)O CNP0447839.0 [2,0,0,0,0,0|1,0,0]=3 134 B5R0.1 C[C@@H](O)CC=O CNP0197470.1 [2,0,0,0,0,0|2,0,0]=4 135 B5R0.1 C[Se]CC(=O)O CNP0526449.0 [2,0,0,0,0,0|1,0,0]=3 136 B5R0.1 C[Te]CC(=O)O CNP0537189.0 [2,0,0,0,0,0|1,0,0]=3 137 B5R0.1 N#CCC(=O)O CNP0269115.0 [2,0,0,0,0,0|2,0,0]=4 138 B5R0.1 NCCC(=O)O CNP0226336.0 [2,0,0,0,0,0|2,0,0]=4 139 B5R0.1 NOCC(=O)O CNP0293826.0 [2,0,0,0,0,0|2,0,0]=4 140 B5R0.1 O=C(O)CCO CNP0228379.0 [2,0,0,0,0,0|2,0,0]=4 141 B5R0.1 O=C(O)CCS CNP0097385.0 [2,0,0,0,0,0|2,0,0]=4 142 B5R0.1 O=C(O)CNO CNP0316873.0 [2,0,0,0,0,0|1,0,1]=4 143 B5R0.1 O=CCC(=O)O CNP0149091.0 [2,0,0,0,0,0|2,0,0]=4 144 B5R0.1 [C-]#[N+]CC(=O)O CNP0534475.0 [2,0,0,0,0,0|0,0,2]=4 145 B5R0.4 C=C[N+](C)(C)C CNP0076784.0 [2,0,0,0,0,0|0,0,1]=3 146 B5R0.4 C=C[N+](C)(C)C CNP0591850.0 [2,0,0,0,0,0|0,0,1]=3 147 B5R0.4 CC(C)(C)C=O CNP0320383.0 [2,0,0,0,0,0|1,0,0]=3 148 B5R0.4 CC(C)(C)N=O CNP0030824.0 [2,0,0,0,0,0|2,0,0]=4 149 B5R0.4 CC(C)(C)OO CNP0609042.0 [2,0,0,0,0,0|2,0,0]=4 150 B5R0.4 CC(C)(O)C=O CNP0300882.0 [2,0,0,0,0,0|2,0,0]=4 151 B5R0.4 CC(C)(O)CO CNP0307478.0 [2,0,0,0,0,0|2,0,0]=4 152 B5R0.4 CCC(C)(C)C CNP0113159.0 [2,0,0,0,0,0|1,0,1]=4 153 B5R0.4 CC[Si](C)(C)C CNP0572818.0 [2,0,0,0,0,0|1,0,1]=4 154 B5R0.4 CP(=O)(C)CO CNP0140331.0 [2,0,0,0,0,0|1,1,0]=4 155 B7R0.2 CC(C)CC(=O)C#N CNP0113699.0 [1,1,0,0,0,0|2,0,0]=4 156 B7R0.2 CC(CO)CC(=O)O CNP0350905.0 [1,1,0,0,0,0|1,0,0]=3 157 B7R0.2 CC=C(C)CC(=O)N CNP0143814.0 [1,1,0,0,0,0|2,0,0]=4 158 B7R0.2 CC=C(C)CC(=O)O CNP0178168.0 [1,1,0,0,0,0|1,0,0]=3 159 B7R0.2 CCC(=CC(=O)O)C CNP0340018.0 [1,1,0,0,0,0|1,0,1]=4 160 B7R0.2 CCC(=O)CC(=O)O CNP0066606.0 [1,1,0,0,0,0|2,0,0]=4 161 B7R0.2 CCC(=O)CC(C)C CNP0284484.0 [1,1,0,0,0,0|2,0,0]=4 162 B7R0.2 CCC(C)CC(=O)C CNP0555982.0 [1,1,0,0,0,0|2,0,0]=4 163 B7R0.2 CC[C@@H](C)CC(=O)O CNP0258429.2 [1,1,0,0,0,0|1,0,0]=3 164 B7R0.2 CC[C@H](C)CC(=O)Cl CNP0111918.1 [1,1,0,0,0,0|2,0,0]=4 165 B7R0.2 CC[C@H](C)CC(=O)N CNP0105662.1 [1,1,0,0,0,0|2,0,0]=4 166 B7R0.2 CC[C@H](C)CC(=O)O CNP0258429.1 [1,1,0,0,0,0|1,0,0]=3 167 B7R0.2 CC[C@H](O)CC(=O)O CNP0308552.1 [1,1,0,0,0,0|2,0,0]=4 168 B7R0.2 CN(C)CC(=O)NN CNP0250241.0 [1,1,0,0,0,0|1,0,1]=4 169 B7R0.2 COC(=O)C=C(C)C CNP0329537.0 [1,1,0,0,0,0|1,0,1]=4 170 B7R0.2 COC(=O)CC(=O)C CNP0086286.0 [1,1,0,0,0,0|2,0,0]=4 171 B7R0.2 COC(=O)CC(=O)O CNP0461449.0 [1,1,0,0,0,0|2,0,0]=4 172 B7R0.2 COC(=O)CC(C)C CNP0289344.0 [1,1,0,0,0,0|1,0,0]=3 173 B7R0.2 COC(=O)CC(C)S CNP0050854.0 [1,1,0,0,0,0|2,0,0]=4 174 B7R0.2 COC(=O)CN(C)C CNP0318263.0 [1,1,0,0,0,0|0,0,1]=3 175 B7R0.2 COC(=O)C[C@@H](C)N CNP0127877.1 [1,1,0,0,0,0|2,0,0]=4 176 B7R0.2 COC(=O)C[C@H](C)O CNP0117417.1 [1,1,0,0,0,0|2,0,0]=4 177 B7R0.2 COC(=O)C[S+](C)C CNP0025669.0 [1,1,0,0,0,0|1,0,0]=3 178 B7R0.2 COC(=O)C[S](C)C CNP0539244.0 [1,1,0,0,0,0|1,0,0]=3 179 B7R0.2 CSC(=O)CC(C)C CNP0084338.0 [1,1,0,0,0,0|1,1,0]=4 180 B7R0.2 NC[C@@H](N)CC(=O)O CNP0190172.1 [1,1,0,0,0,0|2,0,0]=4 181 B7R0.2 NC[C@@H](O)CC(=O)O CNP0335183.1 [1,1,0,0,0,0|2,0,0]=4 182 B7R0.2 NC[C@H](N)CC(=O)O CNP0190172.2 [1,1,0,0,0,0|2,0,0]=4 183 B7R0.2 NC[C@H](O)CC(=O)O CNP0335183.2 [1,1,0,0,0,0|2,0,0]=4 184 B7R0.2 N[C@@H](CS)CC(=O)O CNP0534853.1 [1,1,0,0,0,0|2,0,0]=4 185 B7R0.2 N[C@H](CO)CC(=O)O CNP0415784.1 [1,1,0,0,0,0|2,0,0]=4 186 B7R0.2 O=C(O)CC(=O)CBr CNP0292204.0 [1,1,0,0,0,0|2,0,0]=4 187 B7R0.2 O=C(O)C[C@H](O)CO CNP0269358.1 [1,1,0,0,0,0|2,0,0]=4 188 B7R0.16 CC(=C(C)C(=O)O)C CNP0298281.0 [1,1,0,0,0,0|1,0,1]=4 189 B7R0.16 CC(=C(O)C(=O)O)C CNP0081972.0 [1,1,0,0,0,0|1,0,1]=4 190 B7R0.16 CC(=O)C(C)C(=O)O CNP0002342.0 [1,1,0,0,0,0|2,0,0]=4 191 B7R0.16 CC(=O)C(S)C(C)C CNP0012295.0 [1,1,0,0,0,0|2,0,0]=4 192 B7R0.16 CC(=O)[C@@H](Br)C(C)C CNP0046833.1 [1,1,0,0,0,0|2,0,0]=4 193 B7R0.16 CC(=O)[C@H](Br)C(C)C CNP0046833.2 [1,1,0,0,0,0|2,0,0]=4 194 B7R0.16 CC(=O)[C@H](N)C(=O)O CNP0211201.1 [1,1,0,0,0,0|2,0,0]=4 195 B7R0.16 CC(C)C(=O)C(=O)O CNP0207859.0 [1,1,0,0,0,0|1,0,1]=4 196 B7R0.16 CC(C)[C@@H](N)C(=O)O CNP0152507.2 [1,1,0,0,0,0|1,0,0]=3 197 B7R0.16 CC(C)[C@@H](O)C(=O)N CNP0311908.1 [1,1,0,0,0,0|2,0,0]=4 198 B7R0.16 CC(C)[C@@H](O)C(=O)O CNP0267024.1 [1,1,0,0,0,0|1,0,0]=3 199 B7R0.16 CC(C)[C@H](N)C(=O)O CNP0152507.1 [1,1,0,0,0,0|1,0,0]=3 200 B7R0.16 CC(C)[C@H](O)C(=O)O CNP0267024.2 [1,1,0,0,0,0|1,0,0]=3 201 B7R0.16 CN(C)C(=O)C(=O)O CNP0288655.0 [1,1,0,0,0,0|0,0,2]=4 202 B7R0.16 C[C@@H](Br)[C@@H](Br)C(=O)O CNP0447694.2 [1,1,0,0,0,0|2,0,0]=4 203 B7R0.16 C[C@@H](Br)[C@H](Br)C(=O)O CNP0447694.4 [1,1,0,0,0,0|2,0,0]=4 204 B7R0.16 C[C@@H](C(=O)O)N(C)C CNP0605647.1 [1,1,0,0,0,0|0,0,1]=3 205 B7R0.16 C[C@@H](N)[C@@H](N)C(=O)O CNP0271750.2 [1,1,0,0,0,0|2,0,0]=4 206 B7R0.16 C[C@@H](N)[C@H](N)C(=O)O CNP0271750.3 [1,1,0,0,0,0|2,0,0]=4 207 B7R0.16 C[C@@H](O)C(N)C(=O)O CNP0361197.2 [1,1,0,0,0,0|2,0,0]=4 208 B7R0.16 C[C@@H](O)[C@@H](C)C(=O)O CNP0176980.1 [1,1,0,0,0,0|2,0,0]=4 209 B7R0.16 C[C@@H](O)[C@@H](N)C(=O)O CNP0361197.5 [1,1,0,0,0,0|2,0,0]=4 210 B7R0.16 C[C@@H](O)[C@@H](O)C(=O)O CNP0082312.1 [1,1,0,0,0,0|2,0,0]=4 211 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O CNP0361197.1 [1,1,0,0,0,0|2,0,0]=4 212 B7R0.16 C[C@@H](O)[C@H](O)C(=O)O CNP0082312.2 [1,1,0,0,0,0|2,0,0]=4 213 B7R0.16 C[C@@H](S)[C@@H](N)C(=O)O CNP0290431.3 [1,1,0,0,0,0|2,0,0]=4 214 B7R0.16 C[C@@H](S)[C@H](N)C(=O)O CNP0290431.1 [1,1,0,0,0,0|2,0,0]=4 215 B7R0.16 C[C@H](Br)[C@@H](Br)C(=O)O CNP0447694.1 [1,1,0,0,0,0|2,0,0]=4 216 B7R0.16 C[C@H](Br)[C@H](Br)C(=O)O CNP0447694.3 [1,1,0,0,0,0|2,0,0]=4 217 B7R0.16 C[C@H](C(=O)O)[C@@H](C)O CNP0176980.3 [1,1,0,0,0,0|2,0,0]=4 218 B7R0.16 C[C@H](N)[C@@H](N)C(=O)O CNP0271750.4 [1,1,0,0,0,0|2,0,0]=4 219 B7R0.16 C[C@H](N)[C@H](N)C(=O)O CNP0271750.1 [1,1,0,0,0,0|2,0,0]=4 220 B7R0.16 C[C@H](O)[C@@H](C)C(=O)O CNP0176980.2 [1,1,0,0,0,0|2,0,0]=4 221 B7R0.16 C[C@H](O)[C@@H](N)C(=O)O CNP0361197.4 [1,1,0,0,0,0|2,0,0]=4 222 B7R0.16 C[C@H](O)[C@H](C)C(=O)O CNP0176980.4 [1,1,0,0,0,0|2,0,0]=4 223 B7R0.16 C[C@H](O)[C@H](N)C(=O)O CNP0361197.3 [1,1,0,0,0,0|2,0,0]=4 224 B7R0.16 C[C@H](S)[C@@H](N)C(=O)O CNP0290431.2 [1,1,0,0,0,0|2,0,0]=4 225 B7R0.16 C[C@H](S)[C@H](N)C(=O)O CNP0290431.4 [1,1,0,0,0,0|2,0,0]=4 226 B7R0.16 [13CH3][13CH]([13CH3])[13C@H]([15NH2])[13C](=O)O CNP0152507.4 [1,1,0,0,0,0|1,0,0]=3 227 B7R0.8 C=CCC[N+](C)(C)C CNP0507277.0 [1,1,0,0,0,0|1,0,0]=3 228 B7R0.8 CC(C)(C)C#CC=O CNP0610546.0 [1,1,0,0,0,0|1,0,1]=4 229 B7R0.8 CC(C)(C)C=CC=O CNP0514771.0 [1,1,0,0,0,0|1,0,1]=4 230 B7R0.14 CC(C)(C)C(=O)C=O CNP0298052.0 [1,1,0,0,0,0|1,0,1]=4 231 B7R0.13 CC(C)(CO)C(=O)O CNP0611685.0 [0,1,0,0,1,0|1,0,0]=3 232 B7R0.13 CC(O)(CO)C(=O)O CNP0027858.0 [0,1,0,0,1,0|2,0,0]=4 233 B7R0.13 CCC(C)(C)C(=O)O CNP0573336.0 [0,1,0,0,1,0|1,0,0]=3 234 B7R0.13 CC[C@@](C)(N)C(=O)O CNP0244941.2 [0,1,0,0,1,0|2,0,0]=4 235 B7R0.13 CC[C@@](C)(O)C(=O)O CNP0382124.1 [0,1,0,0,1,0|2,0,0]=4 236 B7R0.13 CC[C@](C)(N)C(=O)O CNP0244941.1 [0,1,0,0,1,0|2,0,0]=4 237 B7R0.13 CC[C@](C)(O)C(=O)O CNP0382124.2 [0,1,0,0,1,0|2,0,0]=4 238 B7R0.13 CNC(C)(C)C(=O)O CNP0083839.0 [0,1,0,0,1,0|1,0,0]=3 239 B7R0.13 C[C@@](N)(CO)C(=O)O CNP0259604.2 [0,1,0,0,1,0|2,0,0]=4 240 B7R0.13 C[C@](N)(CO)C(=O)O CNP0259604.1 [0,1,0,0,1,0|2,0,0]=4 241 B9R0.21 COC(=O)C=CC(C)(C)C CNP0328379.0 [0,1,0,0,0,1|1,0,1]=4 242 B9R0.57 CC(C)(O)C[C@H](N)C(=O)O CNP0190763.1 [0,1,0,0,0,1|2,0,0]=4 243 B9R0.77 C[N+](C)(C)CCP(=O)(O)O CNP0532164.0 [0,1,0,0,0,1|1,0,0]=3 244 B9R0.77 C[N+](C)(C)CCS(=O)(=O)[O-] CNP0603748.0 [0,1,0,0,0,1|1,0,1]=4 245 B9R0.77 C[N+](C)(C)CC[P@](=O)([O-])O CNP0505643.1 [0,1,0,0,0,1|1,0,0]=3 246 B9R0.25 CNC(=O)[C@@H](N)C(C)(C)C CNP0530143.1 [0,2,0,0,0,0|2,0,0]=4 247 B9R0.25 COC(=O)[C@@H](N)C(C)(C)C CNP0202809.1 [0,2,0,0,0,0|1,0,0]=3 248 B9R0.44 CCOC(=O)CC(C)(C)O CNP0234032.0 [0,2,0,0,0,0|2,0,0]=4 249 B9R0.32 CC(C)(CO)C(=O)C(=O)O CNP0358941.0 [0,2,0,0,0,0|1,0,1]=4 250 B9R0.32 CC(C)(CO)[C@@H](O)C(=O)O CNP0159031.1 [0,2,0,0,0,0|1,0,0]=3 251 B9R0.32 CC(C)(CO)[C@H](N)C(=O)O CNP0161879.1 [0,2,0,0,0,0|1,0,0]=3 252 B9R0.32 CC(C)(CO)[C@H](O)C(=O)O CNP0159031.2 [0,2,0,0,0,0|1,0,0]=3 253 B9R0.32 CCC(C)(C)C(=O)C(=O)O CNP0359042.0 [0,2,0,0,0,0|1,0,1]=4 254 B9R0.32 CC[C@@](C)(O)[C@@H](O)C(=O)O CNP0207481.1 [0,2,0,0,0,0|2,0,0]=4 255 B9R0.32 CC[C@](C)(O)[C@@H](O)C(=O)O CNP0207481.2 [0,2,0,0,0,0|2,0,0]=4 256 B9R0.32 COC(C)(C)[C@H](N)C(=O)O CNP0302352.1 [0,2,0,0,0,0|1,0,0]=3 257 B9R0.80 CC(C)(O)C(C)(C)C(=O)O CNP0464078.0 [0,2,0,0,0,0|2,0,0]=4 258 B9R0.11 CC(C)(CC(=O)O)C(=O)O CNP0354982.0 [0,2,0,0,0,0|1,0,1]=4 259 B9R0.11 CC(C)[C@@](C)(O)CC(=O)O CNP0235534.2 [0,2,0,0,0,0|2,0,0]=4 260 B9R0.11 CC(C)[C@](C)(O)CC(=O)O CNP0235534.1 [0,2,0,0,0,0|2,0,0]=4 261 B9R0.58 C[C@@](O)(CCO)CC(=O)O CNP0328110.1 [0,2,0,0,0,0|2,0,0]=4 262 B9R0.58 C[C@](O)(CCO)CC(=O)O CNP0328110.2 [0,2,0,0,0,0|2,0,0]=4 263 B7R1.2 CC1=CC(=O)OC1 CNP0565176.0 [1,0,0,1,0,0|1,0,1]=4 264 B7R1.2 CC1CCC(=O)C1 CNP0601005.0 [1,0,0,1,0,0|2,0,0]=4 265 B7R1.2 CC1CNC(=O)C1 CNP0609130.0 [1,0,0,1,0,0|2,0,0]=4 266 B7R1.2 CC1COC(=O)O1 CNP0609065.0 [1,0,0,1,0,0|2,0,0]=4 267 B7R1.2 C[C@@H]1COC(=O)C1 CNP0323281.1 [1,0,0,1,0,0|1,0,0]=3 268 B7R1.2 C[C@H]1COC(=O)C1 CNP0323281.2 [1,0,0,1,0,0|1,0,0]=3 269 B7R1.2 O=C1C[C@@H](CO1)O CNP0174638.1 [1,0,0,1,0,0|2,0,0]=4 270 B7R1.2 O=C1C[C@H](CO1)O CNP0174638.2 [1,0,0,1,0,0|2,0,0]=4 271 B7R1.12 CC1=N[C@H]1C(=O)O CNP0318344.1 [1,0,0,1,0,0|2,0,0]=4 272 B7R1.19 NC1(CC1)C(=O)O CNP0418127.0 [0,0,0,1,1,0|2,0,0]=4 273 B9R1.36 C[C@H]1CC(CC1=O)(C)C CNP0151852.1 [0,1,0,1,0,0|2,0,0]=4 274 B9R1.66 C[C@@]1(CCOC(=O)C1)O CNP0242599.2 [0,1,0,1,0,0|2,0,0]=4 275 B9R1.66 C[C@]1(CCOC(=O)C1)O CNP0242599.1 [0,1,0,1,0,0|2,0,0]=4 276 B9R1.66 C[N+]1(CCOC(C1)O)C CNP0499821.0 [0,1,0,1,0,0|0,0,2]=4 277 B9R1.185 COC(=O)[C@H]1NC1(C)C CNP0183519.1 [0,1,0,1,0,0|2,0,0]=4 278 B9R1.111 CC1(CC1)[C@H](N)C(=O)O CNP0197750.1 [0,1,0,1,0,0|1,0,0]=3 279 B9R1.111 N[C@H](C(=O)O)C1(CC1)O CNP0161832.1 [0,1,0,1,0,0|2,0,0]=4 280 B9R1.138 CC1(COC(=O)[C@@H]1O)C CNP0187947.1 [0,1,0,1,0,0|1,0,0]=3 281 B9R1.138 CC1(COC(=O)[C@H]1O)C CNP0187947.2 [0,1,0,1,0,0|1,0,0]=3 282 B9R1.38 CC1=CC(=O)CC1(C)C CNP0611990.0 [0,1,0,1,0,0|2,0,0]=4 283 B9R1.125 CCC1(COC(=O)C1)C CNP0300906.0 [0,1,0,1,0,0|1,0,0]=3 284 B9R1.156 CC(C)(CO)C1OC1=O CNP0523268.0 [0,1,0,1,0,0|1,0,0]=3 285 B5R0.5 C=C(C)C(=O)O CNP0147624.0 [1,0,0,0,1,0|1,0,1]=4 286 B5R0.5 C=C(O)C(C)C CNP0150035.0 [1,0,0,0,1,0|2,0,0]=4 287 B5R0.5 CC(=C(C)O)C CNP0164530.0 [1,0,0,0,1,0|2,0,0]=4 288 B5R0.5 CC(=N)C(=O)O CNP0556238.0 [1,0,0,0,1,0|2,0,0]=4 289 B5R0.5 CC(=O)C(=O)O CNP0269827.0 [1,0,0,0,1,0|2,0,0]=4 290 B5R0.5 CC(=O)C(C)C CNP0209504.0 [1,0,0,0,1,0|2,0,0]=4 291 B5R0.5 CC(=O)N(C)C CNP0083052.0 [1,0,0,0,1,0|1,0,1]=4 292 B5R0.5 CC(C)C(=O)Cl CNP0337045.0 [1,0,0,0,1,0|2,0,0]=4 293 B5R0.5 CC(C)C(=O)N CNP0226996.0 [1,0,0,0,1,0|2,0,0]=4 294 B5R0.5 CC(C)C(=O)O CNP0197560.0 [1,0,0,0,1,0|1,0,0]=3 295 B5R0.5 C[C@@H](N)C(=O)O CNP0313085.2 [1,0,0,0,1,0|2,0,0]=4 296 B5R0.5 C[C@@H](O)C(=O)O CNP0232038.2 [1,0,0,0,1,0|2,0,0]=4 297 B5R0.5 C[C@H](N)C(=O)O CNP0313085.1 [1,0,0,0,1,0|2,0,0]=4 298 B5R0.5 C[C@H](O)C(=O)O CNP0232038.1 [1,0,0,0,1,0|2,0,0]=4 299 B5R0.5 C[C@H](S)C(=O)O CNP0223404.1 [1,0,0,0,1,0|2,0,0]=4 300 B7R0.6 CC(=CCC(=O)O)C CNP0178388.0 [1,0,0,0,0,1|1,0,0]=3 301 B7R0.6 CC(=O)CCC(=O)O CNP0267906.0 [1,0,0,0,0,1|2,0,0]=4 302 B7R0.6 CC(=O)CCC(C)C CNP0109911.0 [1,0,0,0,0,1|2,0,0]=4 303 B7R0.6 CC(=O)COC(C)C CNP0500658.0 [1,0,0,0,0,1|2,0,0]=4 304 B7R0.6 CC(=O)NCC(=O)O CNP0232085.0 [1,0,0,0,0,1|2,0,0]=4 305 B7R0.6 CC(=O)NCC(C)C CNP0330824.0 [1,0,0,0,0,1|2,0,0]=4 306 B7R0.6 CC(=O)OCC(C)C CNP0233943.0 [1,0,0,0,0,1|2,0,0]=4 307 B7R0.6 CC(C)C=CC(=O)O CNP0205254.0 [1,0,0,0,0,1|1,0,1]=4 308 B7R0.6 CC(C)CCC(=O)Cl CNP0308408.0 [1,0,0,0,0,1|2,0,0]=4 309 B7R0.6 CC(C)CCC(=O)N CNP0148296.0 [1,0,0,0,0,1|2,0,0]=4 310 B7R0.6 CC(C)CCC(=O)O CNP0414918.0 [1,0,0,0,0,1|1,0,0]=3 311 B7R0.6 CS(C)CCC(=O)O CNP0168459.0 [1,0,0,0,0,1|1,0,0]=3 312 B7R0.6 C[C@H](O)CCC(=O)O CNP0154959.1 [1,0,0,0,0,1|2,0,0]=4 313 B7R0.6 C[NH+](C)CCC(=O)[O-] CNP0361663.0 [1,0,0,0,0,1|0,0,1]=3 314 B7R0.6 C[S+](C)CCC(=O)O CNP0349807.0 [1,0,0,0,0,1|1,0,0]=3 315 B7R0.6 C[S+](C)CCC(=O)O CNP0550706.0 [1,0,0,0,0,1|1,0,0]=3 316 B7R0.6 C[S+](C)CCC(=O)[O-] CNP0152869.0 [1,0,0,0,0,1|1,0,1]=4 317 B7R0.6 C[S+](C)CCC(=O)[O-] CNP0540473.0 [1,0,0,0,0,1|1,0,1]=4 318 B7R0.6 C[S@+]([O-])CCC(=O)O CNP0497394.1 [1,0,0,0,0,1|2,0,0]=4 319 B7R0.6 C[S](C)CCC(=O)O CNP0603322.0 [1,0,0,0,0,1|1,0,0]=3 320 B9R0.56 CC(=O)CCCC(C)(C)C CNP0540441.0 [0,0,0,0,0,2|2,0,0]=4 321 B9R0.56 CC(=O)OCC[As+](C)(C)C CNP0017843.0 [0,0,0,0,0,2|1,1,0]=4 322 B9R0.56 CC(=O)OCC[N+](C)(C)C CNP0482920.0 [0,0,0,0,0,2|1,0,0]=3 323 B9R0.56 CC(=O)OCC[N+](C)(C)C CNP0521268.0 [0,0,0,0,0,2|1,0,0]=3 324 B9R0.56 CC(=O)OCC[N+](C)(C)C CNP0569856.0 [0,0,0,0,0,2|1,0,0]=3 325 B9R0.56 CC(=O)OCC[N+](C)(C)C CNP0583054.0 [0,0,0,0,0,2|1,0,0]=3 326 B9R0.56 CC(=O)OCC[N+](C)(C)C CNP0584438.0 [0,0,0,0,0,2|1,0,0]=3 327 B9R0.56 C[C@H](O)OCC[N+](C)(C)C CNP0065769.1 [0,0,0,0,0,2|1,0,1]=4 328 B9R0.56 C[N+](C)(C)CC=CC(=O)O CNP0058148.0 [0,0,0,0,0,2|0,0,0]=2 329 B9R0.56 C[N+](C)(C)CC=CC(=O)[O-] CNP0522002.0 [0,0,0,0,0,2|0,0,1]=3 330 B9R0.56 C[N+](C)(C)CCCC(=O)O CNP0083679.0 [0,0,0,0,0,2|0,0,0]=2 331 B9R0.56 C[N+](C)(C)CCCC(=O)[O-] CNP0082937.0 [0,0,0,0,0,2|0,0,1]=3 332 B9R0.56 C[N+](C)(C)CCOC(=N)[O-] CNP0578103.0 [0,0,0,0,0,2|1,0,1]=4 333 B9R0.56 C[N+](C)(C)CCOC(=O)N CNP0529912.0 [0,0,0,0,0,2|1,0,0]=3 334 B9R0.56 C[N+](C)(C)CCOC(=O)N CNP0532437.0 [0,0,0,0,0,2|1,0,0]=3