0 B7R0.16 C=C(C(=O)O)[C@@H](C)O CNP0180552.2 [0,0,0,0,0,0|1,0,1]=2 1 B7R0.16 C=C(C(=O)O)[C@H](C)O CNP0180552.1 [0,0,0,0,0,0|1,0,1]=2 2 B7R0.16 CC(=C(C)C(=O)O)C CNP0298281.0 [0,0,0,0,0,0|2,0,2]=4 3 B7R0.16 CC(=C(O)C(=O)O)C CNP0081972.0 [0,0,0,0,0,0|2,0,2]=4 4 B7R0.16 CC(=O)C(=N)C(=O)O CNP0486933.0 [0,0,0,0,0,0|0,0,4]=4 5 B7R0.16 CC(=O)C(=O)C(C)C CNP0264212.0 [0,0,0,0,0,0|3,0,1]=4 6 B7R0.16 CC(=O)C(C)C(=O)C CNP0423013.0 [0,0,0,0,0,0|2,0,2]=4 7 B7R0.16 CC(=O)C(C)C(=O)O CNP0002342.0 [0,0,0,0,0,0|1,0,2]=3 8 B7R0.16 CC(=O)C(S)C(C)C CNP0012295.0 [0,0,0,0,0,0|3,0,0]=3 9 B7R0.16 CC(=O)N(C)C(C)C CNP0111110.0 [0,0,0,0,0,0|4,0,0]=4 10 B7R0.16 CC(=O)[C@@H](Br)C(C)C CNP0046833.1 [0,0,0,0,0,0|3,0,0]=3 11 B7R0.16 CC(=O)[C@H](Br)C(C)C CNP0046833.2 [0,0,0,0,0,0|3,0,0]=3 12 B7R0.16 CC(=O)[C@H](N)C(=O)O CNP0211201.1 [0,0,0,0,0,0|0,0,2]=2 13 B7R0.16 CC(C(=O)O)C(=O)O CNP0415806.0 [0,0,0,0,0,0|2,0,1]=3 14 B7R0.16 CC(C)C(=O)C(=O)N CNP0124089.0 [0,0,0,0,0,0|3,0,1]=4 15 B7R0.16 CC(C)C(=O)C(=O)O CNP0207859.0 [0,0,0,0,0,0|2,0,1]=3 16 B7R0.16 CC(C)C(N)C(C)C CNP0083055.0 [0,0,0,0,0,0|3,0,1]=4 17 B7R0.16 CC(C)[C@@H](N)C(=O)O CNP0152507.2 [0,0,0,0,0,0|1,0,0]=1 18 B7R0.16 CC(C)[C@@H](O)C(=O)N CNP0311908.1 [0,0,0,0,0,0|3,0,0]=3 19 B7R0.16 CC(C)[C@@H](O)C(=O)O CNP0267024.1 [0,0,0,0,0,0|2,0,0]=2 20 B7R0.16 CC(C)[C@H](N)C(=O)O CNP0152507.1 [0,0,0,0,0,0|1,0,0]=1 21 B7R0.16 CC(C)[C@H](O)C(=O)O CNP0267024.2 [0,0,0,0,0,0|2,0,0]=2 22 B7R0.16 CC(O)C(O)C(=O)N CNP0028681.0 [0,0,0,0,0,0|2,0,0]=2 23 B7R0.16 CN(C)C(=O)C(=O)O CNP0288655.0 [0,0,0,0,0,0|3,0,1]=4 24 B7R0.16 C[C@@H](Br)[C@@H](Br)C(=O)O CNP0447694.2 [0,0,0,0,0,0|2,0,0]=2 25 B7R0.16 C[C@@H](Br)[C@H](Br)C(=O)O CNP0447694.4 [0,0,0,0,0,0|2,0,0]=2 26 B7R0.16 C[C@@H](C(=O)N)C(=O)O CNP0423688.1 [0,0,0,0,0,0|2,0,2]=4 27 B7R0.16 C[C@@H](C(=O)O)N(C)C CNP0605647.1 [0,0,0,0,0,0|3,0,0]=3 28 B7R0.16 C[C@@H](N)[C@@H](N)C(=O)O CNP0271750.2 [0,0,0,0,0,0|1,0,0]=1 29 B7R0.16 C[C@@H](N)[C@H](N)C(=O)O CNP0271750.3 [0,0,0,0,0,0|1,0,0]=1 30 B7R0.16 C[C@@H](O)C(=O)C(=O)O CNP0287171.1 [0,0,0,0,0,0|1,0,1]=2 31 B7R0.16 C[C@@H](O)C(N)C(=O)O CNP0361197.2 [0,0,0,0,0,0|0,0,0]=0 32 B7R0.16 C[C@@H](O)[C@@H](C)C(=O)O CNP0176980.1 [0,0,0,0,0,0|1,0,0]=1 33 B7R0.16 C[C@@H](O)[C@@H](N)C(=O)O CNP0361197.5 [0,0,0,0,0,0|0,0,0]=0 34 B7R0.16 C[C@@H](O)[C@@H](O)C(=O)O CNP0082312.1 [0,0,0,0,0,0|1,0,0]=1 35 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O CNP0361197.1 [0,0,0,0,0,0|0,0,0]=0 36 B7R0.16 C[C@@H](O)[C@H](O)C(=O)O CNP0082312.2 [0,0,0,0,0,0|1,0,0]=1 37 B7R0.16 C[C@@H](S)[C@@H](N)C(=O)O CNP0290431.3 [0,0,0,0,0,0|0,1,0]=1 38 B7R0.16 C[C@@H](S)[C@H](N)C(=O)O CNP0290431.1 [0,0,0,0,0,0|0,1,0]=1 39 B7R0.16 C[C@H](Br)[C@@H](Br)C(=O)O CNP0447694.1 [0,0,0,0,0,0|2,0,0]=2 40 B7R0.16 C[C@H](Br)[C@H](Br)C(=O)O CNP0447694.3 [0,0,0,0,0,0|2,0,0]=2 41 B7R0.16 C[C@H](C(=O)O)[C@@H](C)O CNP0176980.3 [0,0,0,0,0,0|1,0,0]=1 42 B7R0.16 C[C@H](N)[C@@H](N)C(=O)O CNP0271750.4 [0,0,0,0,0,0|1,0,0]=1 43 B7R0.16 C[C@H](N)[C@H](N)C(=O)O CNP0271750.1 [0,0,0,0,0,0|1,0,0]=1 44 B7R0.16 C[C@H](O)[C@@H](C)C(=O)O CNP0176980.2 [0,0,0,0,0,0|1,0,0]=1 45 B7R0.16 C[C@H](O)[C@@H](N)C(=O)O CNP0361197.4 [0,0,0,0,0,0|0,0,0]=0 46 B7R0.16 C[C@H](O)[C@H](C)C(=O)O CNP0176980.4 [0,0,0,0,0,0|1,0,0]=1 47 B7R0.16 C[C@H](O)[C@H](N)C(=O)N CNP0419355.1 [0,0,0,0,0,0|1,0,0]=1 48 B7R0.16 C[C@H](O)[C@H](N)C(=O)O CNP0361197.3 [0,0,0,0,0,0|0,0,0]=0 49 B7R0.16 C[C@H](S)[C@@H](N)C(=O)O CNP0290431.2 [0,0,0,0,0,0|0,1,0]=1 50 B7R0.16 C[C@H](S)[C@H](N)C(=O)O CNP0290431.4 [0,0,0,0,0,0|0,1,0]=1 51 B7R0.16 NC(C(=O)O)C(=O)O CNP0385563.0 [0,0,0,0,0,0|1,0,1]=2 52 B7R0.16 O=C(O)C(=O)C(=O)O CNP0307436.0 [0,0,0,0,0,0|2,0,2]=4 53 B7R0.16 O=C(O)C(O)C(=O)O CNP0230174.0 [0,0,0,0,0,0|2,0,1]=3 54 B7R0.16 [13CH3][13CH]([13CH3])[13C@H]([15NH2])[13C](=O)O CNP0152507.4 [0,0,0,0,0,0|1,0,0]=1 55 B6R0.2 C=C(C)CC(=O)C CNP0331918.0 [1,0,0,0,0,0|2,0,1]=4 56 B6R0.2 C=C(N)CC(=O)O CNP0312147.0 [1,0,0,0,0,0|1,0,2]=4 57 B6R0.2 C=C(O)CC(=O)O CNP0082070.0 [1,0,0,0,0,0|0,0,2]=3 58 B6R0.2 CC(=CC(=O)O)C CNP0191929.0 [1,0,0,0,0,0|1,0,2]=4 59 B6R0.2 CC(=CC(=O)O)O CNP0487751.0 [1,0,0,0,0,0|0,0,2]=3 60 B6R0.2 CC(=N)CC(=O)C CNP0178786.0 [1,0,0,0,0,0|2,0,1]=4 61 B6R0.2 CC(=O)C=C(C)O CNP0344390.0 [1,0,0,0,0,0|1,0,2]=4 62 B6R0.2 CC(=O)CC(=O)C CNP0267628.0 [1,0,0,0,0,0|1,0,2]=4 63 B6R0.2 CC(=O)CC(=O)N CNP0237689.0 [1,0,0,0,0,0|1,0,2]=4 64 B6R0.2 CC(=O)CC(=O)O CNP0286292.0 [1,0,0,0,0,0|0,0,2]=3 65 B6R0.2 CC(=O)CC(C)C CNP0178924.0 [1,0,0,0,0,0|2,0,0]=3 66 B6R0.2 CC(=O)C[C@@H](C)O CNP0209002.1 [1,0,0,0,0,0|1,0,0]=2 67 B6R0.2 CC(=O)C[C@H](C)O CNP0209002.2 [1,0,0,0,0,0|1,0,0]=2 68 B6R0.2 CC(=O)OC(C)C CNP0234567.0 [1,0,0,0,0,0|3,0,0]=4 69 B6R0.2 CC(C)CC(=O)N CNP0512695.0 [1,0,0,0,0,0|2,0,0]=3 70 B6R0.2 CC(C)CC(C)O CNP0493734.0 [1,0,0,0,0,0|2,0,1]=4 71 B6R0.2 CC(C)NC(=O)N CNP0331187.0 [1,0,0,0,0,0|3,0,0]=4 72 B6R0.2 CC(O)CC(=O)N CNP0217857.0 [1,0,0,0,0,0|1,0,0]=2 73 B6R0.2 CN(C)CC(=O)Cl CNP0017846.0 [1,0,0,0,0,0|3,0,0]=4 74 B6R0.2 CN(C)CC(=O)N CNP0045146.0 [1,0,0,0,0,0|3,0,0]=4 75 B6R0.2 CN(C)CC(=O)O CNP0175140.0 [1,0,0,0,0,0|2,0,0]=3 76 B6R0.2 C[C@@H](N)CC(=O)O CNP0287180.2 [1,0,0,0,0,0|1,0,0]=2 77 B6R0.2 C[C@@H](O)CC(=O)O CNP0161860.1 [1,0,0,0,0,0|0,0,0]=1 78 B6R0.2 C[C@@H](O)C[C@@H](C)O CNP0138640.1 [1,0,0,0,0,0|1,0,1]=3 79 B6R0.2 C[C@H](N)CC(=O)O CNP0287180.1 [1,0,0,0,0,0|1,0,0]=2 80 B6R0.2 C[C@H](O)CC(=O)O CNP0161860.2 [1,0,0,0,0,0|0,0,0]=1 81 B6R0.2 C[C@H]([13CH3])CC(=O)O CNP0175489.1 [1,0,0,0,0,0|1,0,0]=2 82 B6R0.2 C[C](C)CC(=O)O CNP0606523.0 [1,0,0,0,0,0|1,0,1]=3 83 B6R0.2 C[S+](C)CC(=O)O CNP0149325.0 [1,0,0,0,0,0|2,0,0]=3 84 B6R0.2 C[S+](C)CC(=O)[O-] CNP0153505.0 [1,0,0,0,0,0|2,0,1]=4 85 B6R0.2 NC(=O)CC(=O)O CNP0514577.0 [1,0,0,0,0,0|1,0,2]=4 86 B6R0.2 O=C(O)CC(=O)O CNP0327247.0 [1,0,0,0,0,0|1,0,1]=3 87 B6R0.3 C#C[C@H](N)C(=O)O CNP0348654.1 [1,0,0,0,0,0|0,0,2]=3 88 B6R0.3 C=C(C)[C@H](C)CC CNP0076705.1 [1,0,0,0,0,0|3,0,0]=4 89 B6R0.3 C=C(CC)C(=O)O CNP0082368.0 [1,0,0,0,0,0|1,0,1]=3 90 B6R0.3 C=C(CN)C(=O)O CNP0223341.0 [1,0,0,0,0,0|2,0,1]=4 91 B6R0.3 C=C(NC)C(=O)O CNP0542368.0 [1,0,0,0,0,0|2,0,1]=4 92 B6R0.3 C=C[C@@H](N)C(=O)O CNP0240520.1 [1,0,0,0,0,0|0,0,2]=3 93 B6R0.3 C=C[C@H](N)C(=O)O CNP0240520.2 [1,0,0,0,0,0|0,0,2]=3 94 B6R0.3 CC(=NO)C(=O)O CNP0205729.0 [1,0,0,0,0,0|2,0,1]=4 95 B6R0.3 CC(C)C(C)CO CNP0127606.0 [1,0,0,0,0,0|2,0,1]=4 96 B6R0.3 CC(C)C(N)C=O CNP0484074.0 [1,0,0,0,0,0|1,0,0]=2 97 B6R0.3 CC(C)C(N)C=O CNP0491546.0 [1,0,0,0,0,0|1,0,0]=2 98 B6R0.3 CC(C)C(N)C=O CNP0498484.0 [1,0,0,0,0,0|1,0,0]=2 99 B6R0.3 CC(C)[C@@H](N)CO CNP0177308.2 [1,0,0,0,0,0|1,0,1]=3 100 B6R0.3 CC(C)[C@@H](S)CO CNP0191310.1 [1,0,0,0,0,0|2,0,1]=4 101 B6R0.3 CC(C)[C@H](N)CO CNP0177308.1 [1,0,0,0,0,0|1,0,1]=3 102 B6R0.3 CC(O)C(=O)CO CNP0185354.0 [1,0,0,0,0,0|1,0,2]=4 103 B6R0.3 CC=C(C)C(=O)O CNP0238363.0 [1,0,0,0,0,0|1,0,2]=4 104 B6R0.3 CC=C(N)C(=O)O CNP0146934.0 [1,0,0,0,0,0|0,0,2]=3 105 B6R0.3 CCC(=O)C(=O)C CNP0311036.0 [1,0,0,0,0,0|2,0,1]=4 106 B6R0.3 CCC(=O)C(=O)O CNP0283357.0 [1,0,0,0,0,0|1,0,1]=3 107 B6R0.3 CCC(O)C(=O)C CNP0413470.0 [1,0,0,0,0,0|2,0,0]=3 108 B6R0.3 CCC(O)C(C)O CNP0519497.0 [1,0,0,0,0,0|2,0,1]=4 109 B6R0.3 CCC(S)C(=O)C CNP0064467.0 [1,0,0,0,0,0|2,0,0]=3 110 B6R0.3 CC[C@@H](C)C(=O)C CNP0151175.1 [1,0,0,0,0,0|2,0,0]=3 111 B6R0.3 CC[C@@H](C)C(=O)Cl CNP0146254.2 [1,0,0,0,0,0|2,0,0]=3 112 B6R0.3 CC[C@@H](C)C(=O)N CNP0157695.1 [1,0,0,0,0,0|2,0,0]=3 113 B6R0.3 CC[C@@H](C)C(=O)O CNP0187792.1 [1,0,0,0,0,0|1,0,0]=2 114 B6R0.3 CC[C@@H](C)C(O)O CNP0597016.1 [1,0,0,0,0,0|1,0,2]=4 115 B6R0.3 CC[C@@H](C)[C@@H](C)O CNP0061619.1 [1,0,0,0,0,0|2,0,1]=4 116 B6R0.3 CC[C@@H](N)C(=O)O CNP0243222.1 [1,0,0,0,0,0|0,0,0]=1 117 B6R0.3 CC[C@@H](O)C(=O)C CNP0413470.1 [1,0,0,0,0,0|2,0,0]=3 118 B6R0.3 CC[C@@H](O)C(=O)O CNP0162708.1 [1,0,0,0,0,0|1,0,0]=2 119 B6R0.3 CC[C@H](C)C(=O)C CNP0151175.2 [1,0,0,0,0,0|2,0,0]=3 120 B6R0.3 CC[C@H](C)C(=O)Cl CNP0146254.1 [1,0,0,0,0,0|2,0,0]=3 121 B6R0.3 CC[C@H](C)C(=O)N CNP0157695.2 [1,0,0,0,0,0|2,0,0]=3 122 B6R0.3 CC[C@H](C)C(=O)O CNP0187792.2 [1,0,0,0,0,0|1,0,0]=2 123 B6R0.3 CC[C@H](C)[C@@H](C)O CNP0061619.2 [1,0,0,0,0,0|2,0,1]=4 124 B6R0.3 CC[C@H](N)C(=O)O CNP0243222.3 [1,0,0,0,0,0|0,0,0]=1 125 B6R0.3 CC[C@H](O)C(=O)O CNP0162708.2 [1,0,0,0,0,0|1,0,0]=2 126 B6R0.3 CNC(=O)C(=O)O CNP0336017.0 [1,0,0,0,0,0|2,0,1]=4 127 B6R0.3 CN[C@@H](C)C(=O)O CNP0126063.1 [1,0,0,0,0,0|2,0,0]=3 128 B6R0.3 CN[C@H](C)C(=O)O CNP0126063.2 [1,0,0,0,0,0|2,0,0]=3 129 B6R0.3 COC(=O)C(=O)O CNP0117987.0 [1,0,0,0,0,0|2,0,1]=4 130 B6R0.3 CO[C@@H](C)C(=O)C CNP0325332.1 [1,0,0,0,0,0|3,0,0]=4 131 B6R0.3 CSC(C)C(=O)C CNP0075921.0 [1,0,0,0,0,0|3,0,0]=4 132 B6R0.3 C[C@@H](C=O)C(=O)O CNP0083546.1 [1,0,0,0,0,0|1,0,2]=4 133 B6R0.3 C[C@@H](CN)C(=O)O CNP0291505.1 [1,0,0,0,0,0|2,0,0]=3 134 B6R0.3 C[C@@H](CO)C(=O)O CNP0257203.1 [1,0,0,0,0,0|1,0,0]=2 135 B6R0.3 C[C@@H](O)[C@@H](C)CO CNP0424442.1 [1,0,0,0,0,0|1,0,1]=3 136 B6R0.3 C[C@@H](O)[C@@H](O)CO CNP0199934.3 [1,0,0,0,0,0|1,0,1]=3 137 B6R0.3 C[C@@H](O)[C@H](N)C=O CNP0119001.1 [1,0,0,0,0,0|0,0,0]=1 138 B6R0.3 C[C@@H](O)[C@H](N)CO CNP0049541.1 [1,0,0,0,0,0|0,0,1]=2 139 B6R0.3 C[C@@H](O)[C@H](O)CO CNP0199934.1 [1,0,0,0,0,0|1,0,1]=3 140 B6R0.3 C[C@H](CN)C(=O)O CNP0291505.2 [1,0,0,0,0,0|2,0,0]=3 141 B6R0.3 C[C@H](CO)C(=O)O CNP0257203.2 [1,0,0,0,0,0|1,0,0]=2 142 B6R0.3 C[C@H](NO)C(=O)O CNP0221656.1 [1,0,0,0,0,0|2,0,0]=3 143 B6R0.3 C[C@H](O)[C@H](O)CO CNP0199934.2 [1,0,0,0,0,0|1,0,1]=3 144 B6R0.3 NC(=O)[C@@H](N)CS CNP0562682.1 [1,0,0,0,0,0|1,1,0]=3 145 B6R0.3 NC(=O)[C@@H](O)CO CNP0263493.1 [1,0,0,0,0,0|2,0,0]=3 146 B6R0.3 NC[C@@H](N)C(=O)O CNP0403048.1 [1,0,0,0,0,0|1,0,0]=2 147 B6R0.3 NC[C@@H](O)C(=O)O CNP0213687.1 [1,0,0,0,0,0|2,0,0]=3 148 B6R0.3 NC[C@H](N)C(=O)O CNP0403048.2 [1,0,0,0,0,0|1,0,0]=2 149 B6R0.3 N[C@@H](C=O)C(=O)O CNP0082836.1 [1,0,0,0,0,0|0,0,2]=3 150 B6R0.3 N[C@@H](CO)C(=O)O CNP0275512.1 [1,0,0,0,0,0|0,0,0]=1 151 B6R0.3 N[C@@H](CS)C(=O)O CNP0280490.1 [1,0,0,0,0,0|0,1,0]=2 152 B6R0.3 N[C@@H](CS)C(=O)O CNP0543246.1 [1,0,0,0,0,0|0,1,0]=2 153 B6R0.3 N[C@@H](C[SeH])C(=O)O CNP0105616.1 [1,0,0,0,0,0|0,1,0]=2 154 B6R0.3 N[C@@H](C[Se])C(=O)O CNP0539066.1 [1,0,0,0,0,0|0,1,0]=2 155 B6R0.3 N[C@H](CCl)C(=O)O CNP0597943.1 [1,0,0,0,0,0|1,0,0]=2 156 B6R0.3 N[C@H](CO)C(=O)O CNP0275512.2 [1,0,0,0,0,0|0,0,0]=1 157 B6R0.3 N[C@H](CS)C(=O)O CNP0280490.2 [1,0,0,0,0,0|0,1,0]=2 158 B6R0.3 N[C@H](C[SeH])C(=O)O CNP0105616.2 [1,0,0,0,0,0|0,1,0]=2 159 B6R0.3 O=C(O)C(=CO)O CNP0197473.0 [1,0,0,0,0,0|1,0,2]=4 160 B6R0.3 O=C(O)C(=O)CO CNP0343498.0 [1,0,0,0,0,0|1,0,1]=3 161 B6R0.3 O=C(O)C(=O)CS CNP0172399.0 [1,0,0,0,0,0|1,1,1]=4 162 B6R0.3 O=C(O)[C@@H](O)CCl CNP0460792.2 [1,0,0,0,0,0|2,0,0]=3 163 B6R0.3 O=C(O)[C@@H](O)CO CNP0264905.2 [1,0,0,0,0,0|1,0,0]=2 164 B6R0.3 O=C(O)[C@@H](O)CS CNP0083519.1 [1,0,0,0,0,0|1,1,0]=3 165 B6R0.3 O=C(O)[C@H](O)CCl CNP0460792.1 [1,0,0,0,0,0|2,0,0]=3 166 B6R0.3 O=C(O)[C@H](O)CO CNP0264905.1 [1,0,0,0,0,0|1,0,0]=2 167 B6R0.3 O=CC(O)C(=O)O CNP0083603.0 [1,0,0,0,0,0|1,0,2]=4 168 B6R0.3 [C-]#[N+][C@@H](C)C(=O)O CNP0523631.1 [1,0,0,0,0,0|2,0,1]=4 169 B8R0.2 C#C[C@@H](O)[C@H](N)C(=O)O CNP0244576.1 [0,1,0,0,0,0|0,0,1]=2 170 B8R0.2 C/C=C(/C)\[C@H](N)C(=O)O CNP0249655.2 [0,1,0,0,0,0|1,0,1]=3 171 B8R0.2 C/C=C(\C)/[C@H](N)C(=O)O CNP0249655.1 [0,1,0,0,0,0|1,0,1]=3 172 B8R0.2 C=C(C(=O)O)[C@H](O)CO CNP0177304.1 [0,1,0,0,0,0|1,0,1]=3 173 B8R0.2 C=C(C(=O)OC)[C@H](C)O CNP0274042.1 [0,1,0,0,0,0|1,0,1]=3 174 B8R0.2 C=C(CC)[C@H](N)C(=O)O CNP0145446.1 [0,1,0,0,0,0|1,0,1]=3 175 B8R0.2 C=CC(=C)[C@H](N)C(=O)O CNP0273859.1 [0,1,0,0,0,0|1,0,2]=4 176 B8R0.2 CC(=O)C(=O)[C@@H](O)CO CNP0082869.1 [0,1,0,0,0,0|2,0,1]=4 177 B8R0.2 CC(=O)[C@@H](O)[C@H](O)CO CNP0176641.1 [0,1,0,0,0,0|2,0,0]=3 178 B8R0.2 CC(=O)[C@H](O)[C@H](O)CO CNP0176641.2 [0,1,0,0,0,0|2,0,0]=3 179 B8R0.2 CC(C)[C@@H](N)C(=O)NO CNP0510615.1 [0,1,0,0,0,0|1,0,0]=2 180 B8R0.2 CC=C(C)C(O)C(=O)O CNP0231928.0 [0,1,0,0,0,0|2,0,1]=4 181 B8R0.2 CCC(=O)C(C)C(=O)O CNP0082310.0 [0,1,0,0,0,0|1,0,2]=4 182 B8R0.2 CCC(C)[C@@H](N)C(=O)O CNP0337843.4 [0,1,0,0,0,0|1,0,0]=2 183 B8R0.2 CCC(O)C(O)C(=O)O CNP0042669.0 [0,1,0,0,0,0|1,0,0]=2 184 B8R0.2 CC[C@@H](C)C(=O)C(=O)O CNP0163555.2 [0,1,0,0,0,0|2,0,1]=4 185 B8R0.2 CC[C@@H](C)[C@@H](N)C(=O)O CNP0337843.2 [0,1,0,0,0,0|1,0,0]=2 186 B8R0.2 CC[C@@H](C)[C@@H](O)C(=O)O CNP0290048.1 [0,1,0,0,0,0|2,0,0]=3 187 B8R0.2 CC[C@@H](C)[C@H](N)C(=O)O CNP0337843.3 [0,1,0,0,0,0|1,0,0]=2 188 B8R0.2 CC[C@@H](C)[C@H](O)C(=O)O CNP0290048.3 [0,1,0,0,0,0|2,0,0]=3 189 B8R0.2 CC[C@@H](N)[C@@H](C)C(=O)O CNP0281114.2 [0,1,0,0,0,0|2,0,0]=3 190 B8R0.2 CC[C@@H](O)[C@@H](C)C(=O)O CNP0152762.2 [0,1,0,0,0,0|1,0,0]=2 191 B8R0.2 CC[C@H](C)C(=O)C(=O)O CNP0163555.1 [0,1,0,0,0,0|2,0,1]=4 192 B8R0.2 CC[C@H](C)[C@@H](N)C(=O)O CNP0337843.5 [0,1,0,0,0,0|1,0,0]=2 193 B8R0.2 CC[C@H](C)[C@@H](O)C(=O)O CNP0290048.4 [0,1,0,0,0,0|2,0,0]=3 194 B8R0.2 CC[C@H](C)[C@H](N)C(=O)O CNP0337843.1 [0,1,0,0,0,0|1,0,0]=2 195 B8R0.2 CC[C@H](C)[C@H](O)C(=O)O CNP0290048.2 [0,1,0,0,0,0|2,0,0]=3 196 B8R0.2 CC[C@H](N)[C@@H](C)C(=O)O CNP0281114.1 [0,1,0,0,0,0|2,0,0]=3 197 B8R0.2 CC[C@H](O)[C@@H](C)C(=O)O CNP0152762.1 [0,1,0,0,0,0|1,0,0]=2 198 B8R0.2 CC[C@H](O)[C@H](N)C(=O)O CNP0172440.1 [0,1,0,0,0,0|0,0,0]=1 199 B8R0.2 COC(=O)C(=O)C(C)C CNP0337448.0 [0,1,0,0,0,0|2,0,1]=4 200 B8R0.2 COC(=O)C(C)C(C)C CNP0354391.0 [0,1,0,0,0,0|2,0,0]=3 201 B8R0.2 COC(=O)C(O)C(C)C CNP0612001.0 [0,1,0,0,0,0|2,0,0]=3 202 B8R0.2 COC(=O)[C@@H](C)[C@H](C)O CNP0193149.3 [0,1,0,0,0,0|1,0,0]=2 203 B8R0.2 COC(=O)[C@@H](N)C(C)C CNP0369647.2 [0,1,0,0,0,0|1,0,0]=2 204 B8R0.2 COC(=O)[C@@H](N)[C@@H](C)O CNP0109671.2 [0,1,0,0,0,0|0,0,0]=1 205 B8R0.2 COC(=O)[C@@H](N)[C@H](C)O CNP0109671.1 [0,1,0,0,0,0|0,0,0]=1 206 B8R0.2 COC(=O)[C@H](C)[C@@H](C)O CNP0193149.2 [0,1,0,0,0,0|1,0,0]=2 207 B8R0.2 COC(=O)[C@H](C)[C@H](C)O CNP0193149.1 [0,1,0,0,0,0|1,0,0]=2 208 B8R0.2 CO[C@H](C)[C@H](N)C(=O)O CNP0138461.1 [0,1,0,0,0,0|0,0,0]=1 209 B8R0.2 C[C@@H](O)[C@@H](O)[C@H](O)CO CNP0148651.3 [0,1,0,0,0,0|1,0,2]=4 210 B8R0.2 C[C@H](CO)[C@H](N)C(=O)O CNP0265775.1 [0,1,0,0,0,0|0,0,0]=1 211 B8R0.2 C[C@H](O)[C@@H](O)[C@@H](O)CO CNP0148651.4 [0,1,0,0,0,0|1,0,2]=4 212 B8R0.2 C[C@H](O)[C@@H](O)[C@H](O)CO CNP0148651.2 [0,1,0,0,0,0|1,0,2]=4 213 B8R0.2 C[C@H](O)[C@H](O)[C@H](O)CO CNP0148651.1 [0,1,0,0,0,0|1,0,2]=4 214 B8R0.2 NC(=O)[C@H](O)[C@H](O)CO CNP0299919.1 [0,1,0,0,0,0|2,0,0]=3 215 B8R0.2 NCC(=O)[C@H](O)C(=O)O CNP0311404.1 [0,1,0,0,0,0|1,0,2]=4 216 B8R0.2 NC[C@@H](O)[C@H](O)C(=O)O CNP0266356.3 [0,1,0,0,0,0|1,0,0]=2 217 B8R0.2 NC[C@H](O)[C@@H](O)C(=O)O CNP0266356.2 [0,1,0,0,0,0|1,0,0]=2 218 B8R0.2 NC[C@H](O)[C@H](O)C(=O)O CNP0266356.1 [0,1,0,0,0,0|1,0,0]=2 219 B8R0.2 N[C@@H](C(=O)O)[C@@H](O)CCl CNP0343503.2 [0,1,0,0,0,0|0,0,0]=1 220 B8R0.2 N[C@@H](C(=O)O)[C@@H](O)CO CNP0267593.2 [0,1,0,0,0,0|0,0,0]=1 221 B8R0.2 N[C@@H](C(=O)O)[C@H](O)CO CNP0267593.4 [0,1,0,0,0,0|0,0,0]=1 222 B8R0.2 N[C@H](C(=O)O)[C@@H](O)CCl CNP0343503.1 [0,1,0,0,0,0|0,0,0]=1 223 B8R0.2 N[C@H](C(=O)O)[C@@H](O)CO CNP0267593.3 [0,1,0,0,0,0|0,0,0]=1 224 B8R0.2 N[C@H](C(=O)O)[C@H](O)CCl CNP0343503.3 [0,1,0,0,0,0|0,0,0]=1 225 B8R0.2 N[C@H](C(=O)O)[C@H](O)CO CNP0267593.1 [0,1,0,0,0,0|0,0,0]=1 226 B8R0.2 O=C(O)C(=O)C(O)CO CNP0611324.0 [0,1,0,0,0,0|1,0,1]=3 227 B8R0.2 O=C(O)[C@@H](O)[C@@H](O)CO CNP0144827.3 [0,1,0,0,0,0|1,0,0]=2 228 B8R0.2 O=C(O)[C@@H](O)[C@H](O)CO CNP0144827.1 [0,1,0,0,0,0|1,0,0]=2 229 B8R0.2 O=C(O)[C@H](O)[C@@H](O)CO CNP0144827.2 [0,1,0,0,0,0|1,0,0]=2 230 B8R0.2 O=C(O)[C@H](O)[C@H](O)CO CNP0144827.4 [0,1,0,0,0,0|1,0,0]=2 231 B8R0.2 O=C([O-])[C@H](O)[C@@H](O)CO CNP0144827.5 [0,1,0,0,0,0|1,0,1]=3 232 B8R0.18 CC(C)[C@H](NO)C(=O)O CNP0082684.1 [0,1,0,0,0,0|1,0,0]=2 233 B8R0.18 CCC(C(=O)C)C(=O)O CNP0082085.0 [0,1,0,0,0,0|1,0,2]=4 234 B8R0.18 CCC(C(=O)O)C(=O)O CNP0415777.0 [0,1,0,0,0,0|2,0,1]=4 235 B8R0.18 CCC(C(=O)O)C(C)C CNP0474266.0 [0,1,0,0,0,0|2,0,0]=3 236 B8R0.18 CCC(C(=O)O)C(C)O CNP0376604.0 [0,1,0,0,0,0|1,0,0]=2 237 B8R0.18 CN(C)[C@@H](CO)C(=O)O CNP0113680.1 [0,1,0,0,0,0|3,0,0]=4 238 B8R0.18 CN[C@@H](C(=O)O)C(C)C CNP0239286.1 [0,1,0,0,0,0|1,0,0]=2 239 B8R0.18 CN[C@@H](C(=O)O)[C@@H](C)O CNP0147674.2 [0,1,0,0,0,0|0,0,0]=1 240 B8R0.18 CN[C@H](C(=O)O)C(C)C CNP0239286.2 [0,1,0,0,0,0|1,0,0]=2 241 B8R0.18 CN[C@H](C(=O)O)[C@@H](C)O CNP0147674.1 [0,1,0,0,0,0|0,0,0]=1 242 B8R0.18 CN[C@H](C(=O)O)[C@H](C)O CNP0147674.3 [0,1,0,0,0,0|0,0,0]=1 243 B8R0.18 COC(C(=O)O)C(=O)O CNP0332418.0 [0,1,0,0,0,0|2,0,1]=4 244 B8R0.18 C[C@@H](O)[C@H](NO)C(=O)O CNP0541034.1 [0,1,0,0,0,0|0,0,0]=1 245 B8R0.18 [C-]#[N+][C@H](C(=O)O)C(C)C CNP0500576.1 [0,1,0,0,0,0|1,0,1]=3 246 B8R0.27 CC(C)(C)[C@@H](N)C(=O)N CNP0245908.1 [0,1,0,0,0,0|2,0,0]=3 247 B8R0.27 CC(C)(C)[C@@H](N)C(=O)O CNP0182487.1 [0,1,0,0,0,0|1,0,0]=2 248 B8R0.27 CC(C)(C)[C@H](N)C(=O)N CNP0245908.2 [0,1,0,0,0,0|2,0,0]=3 249 B8R0.27 CC(C)(C)[C@H](N)C(=O)O CNP0182487.2 [0,1,0,0,0,0|1,0,0]=2 250 B8R0.27 CC(C)(N)[C@@H](O)C(=O)O CNP0191312.1 [0,1,0,0,0,0|2,0,0]=3 251 B8R0.27 CC(C)(O)[C@@H](O)C(=O)O CNP0224141.1 [0,1,0,0,0,0|1,0,0]=2 252 B8R0.27 CC(C)(O)[C@H](N)C(=O)O CNP0258599.1 [0,1,0,0,0,0|0,0,0]=1 253 B8R0.27 CC(C)(O)[C@H](O)C(=O)O CNP0224141.2 [0,1,0,0,0,0|1,0,0]=2 254 B8R0.27 CC(C)(S)[C@@H](N)C(=O)O CNP0419440.1 [0,1,0,0,0,0|0,1,0]=2 255 B8R0.27 CC(C)(S)[C@H](N)C(=O)O CNP0419440.2 [0,1,0,0,0,0|0,1,0]=2 256 B8R0.27 CC(C)[C@H](N)P(=O)(O)O CNP0050135.1 [0,1,0,0,0,0|2,0,0]=3 257 B8R0.27 C[C@@H](N)[C@H](O)P(=O)(O)O CNP0334696.1 [0,1,0,0,0,0|3,0,0]=4 258 B8R0.27 C[C@H](N)[C@@H](O)P(=O)(O)O CNP0334696.2 [0,1,0,0,0,0|3,0,0]=4 259 B8R0.27 C[C@H](O)[C@@H](N)P(=O)(O)O CNP0360371.1 [0,1,0,0,0,0|1,0,0]=2 260 B8R0.37 CC(=O)[C@@](C)(O)[C@@H](C)O CNP0563769.1 [0,1,0,0,0,0|2,0,0]=3 261 B8R0.37 CC(=O)[C@](C)(O)C(=O)O CNP0358968.1 [0,1,0,0,0,0|1,0,2]=4 262 B8R0.37 CC(=O)[C@](C)(O)[C@@H](C)O CNP0563769.2 [0,1,0,0,0,0|2,0,0]=3 263 B8R0.37 CC(C)(C(=O)O)C(=O)O CNP0082122.0 [0,1,0,0,0,0|2,0,1]=4 264 B8R0.37 CC(C)[C@@](N)(O)C(=O)O CNP0185848.1 [0,1,0,0,0,0|1,0,0]=2 265 B8R0.37 CC(C)[C@](N)(O)C(=O)O CNP0185848.2 [0,1,0,0,0,0|1,0,0]=2 266 B8R0.37 CC(O)(C(=O)O)C(=O)O CNP0101764.0 [0,1,0,0,0,0|2,0,1]=4 267 B8R0.37 CC(O)C(C)(C)C(=O)O CNP0082064.0 [0,1,0,0,0,0|1,0,0]=2 268 B8R0.37 CN(C)C(C)(C)C(=O)O CNP0482978.0 [0,1,0,0,0,0|3,0,0]=4 269 B8R0.37 C[C@@H](O)C(C)(O)[C@@H](C)O CNP0171250.2 [0,1,0,0,0,0|2,0,1]=4 270 B8R0.37 C[C@@H](O)[C@](C)(O)C(=O)O CNP0265434.2 [0,1,0,0,0,0|1,0,0]=2 271 B8R0.37 C[C@H](O)C(C)(O)[C@H](C)O CNP0171250.1 [0,1,0,0,0,0|2,0,1]=4 272 B8R0.37 C[C@H](O)[C@@](C)(O)C(=O)O CNP0265434.3 [0,1,0,0,0,0|1,0,0]=2 273 B8R0.37 C[C@H](O)[C@@](C)(O)[C@@H](C)O CNP0171250.3 [0,1,0,0,0,0|2,0,1]=4 274 B8R0.37 C[C@H](O)[C@](C)(O)C(=O)O CNP0265434.1 [0,1,0,0,0,0|1,0,0]=2 275 B8R0.37 O=C(O)C(O)(O)C(=O)O CNP0083986.0 [0,1,0,0,0,0|2,0,1]=4 276 B8R1.31 C[C@@H](O)[C@@H]1CNC1=O CNP0044057.1 [0,0,0,1,0,0|2,0,0]=3 277 B8R1.31 N[C@H]1CO[C@H]1C(=O)O CNP0307308.1 [0,0,0,1,0,0|2,0,0]=3 278 B8R1.50 C=C1C(=O)OC[C@@H]1O CNP0216725.1 [0,0,0,1,0,0|1,0,1]=3 279 B8R1.50 C=C1C(=O)OC[C@H]1O CNP0216725.2 [0,0,0,1,0,0|1,0,1]=3 280 B8R1.50 CC1OCC(=O)C1C CNP0086303.0 [0,0,0,1,0,0|2,0,0]=3 281 B8R1.50 CC1SC=C(C1S)O CNP0002608.0 [0,0,0,1,0,0|2,1,0]=4 282 B8R1.50 C[C@@H]1C(=O)OC[C@@H]1O CNP0400627.1 [0,0,0,1,0,0|1,0,0]=2 283 B8R1.50 C[C@@H]1C(=O)OC[C@H]1O CNP0400627.2 [0,0,0,1,0,0|1,0,0]=2 284 B8R1.50 C[C@@H]1COC(=O)[C@@H]1O CNP0158436.1 [0,0,0,1,0,0|2,0,0]=3 285 B8R1.50 C[C@@H]1CSC(=O)[C@H]1C CNP0371983.1 [0,0,0,1,0,0|2,1,0]=4 286 B8R1.50 C[C@H]1C(=O)OC[C@@H]1O CNP0400627.3 [0,0,0,1,0,0|1,0,0]=2 287 B8R1.50 O=C1OCC(=C1O)O CNP0612147.0 [0,0,0,1,0,0|1,0,2]=4 288 B8R1.50 O=C1OC[C@@H]([C@@H]1O)O CNP0228474.4 [0,0,0,1,0,0|1,0,0]=2 289 B8R1.50 O=C1OC[C@@H]([C@H]1O)O CNP0228474.2 [0,0,0,1,0,0|1,0,0]=2 290 B8R1.50 O=C1OC[C@H]([C@@H]1O)O CNP0228474.1 [0,0,0,1,0,0|1,0,0]=2 291 B8R1.50 O=C1OC[C@H]([C@H]1O)O CNP0228474.3 [0,0,0,1,0,0|1,0,0]=2 292 B8R1.50 OC1OC[C@H]([C@H]1O)O CNP0415790.1 [0,0,0,1,0,0|1,0,2]=4 293 B8R1.54 N[C@@H](C(=O)O)C1CC1 CNP0022932.1 [0,0,0,1,0,0|1,0,0]=2 294 B8R1.77 CC1(N[C@@H]1C(=O)O)C CNP0357340.1 [0,0,0,1,0,0|1,0,0]=2 295 B8R0.23 C=C(CC(=O)O)C(C)C CNP0058320.0 [0,0,0,0,0,1|2,0,1]=4 296 B8R0.23 C=C(Cl)C[C@H](N)C(=O)O CNP0106223.1 [0,0,0,0,0,1|1,0,2]=4 297 B8R0.23 CC(=CC(=O)O)C(C)C CNP0219059.0 [0,0,0,0,0,1|2,0,1]=4 298 B8R0.23 CC(=CC(C)C)C(=O)O CNP0002603.0 [0,0,0,0,0,1|2,0,1]=4 299 B8R0.23 CC(=O)C(O)CC(C)C CNP0003259.0 [0,0,0,0,0,1|3,0,0]=4 300 B8R0.23 CC(=O)CC(N)C(=O)O CNP0533011.0 [0,0,0,0,0,1|0,0,2]=3 301 B8R0.23 CC(=O)CC(S)C(C)C CNP0610501.0 [0,0,0,0,0,1|3,0,0]=4 302 B8R0.23 CC(=O)C[C@@H](O)C(=O)O CNP0195071.1 [0,0,0,0,0,1|1,0,2]=4 303 B8R0.23 CC(=O)C[C@H](O)C(=O)O CNP0195071.2 [0,0,0,0,0,1|1,0,2]=4 304 B8R0.23 CC(=O)N[C@@H](C)C(=O)O CNP0136136.1 [0,0,0,0,0,1|1,0,2]=4 305 B8R0.23 CC(=O)O[C@H](C)C(=O)O CNP0159286.1 [0,0,0,0,0,1|1,0,2]=4 306 B8R0.23 CC(=O)[C@@H](C)CC(=O)O CNP0299581.1 [0,0,0,0,0,1|1,0,2]=4 307 B8R0.23 CC(C)CC(=O)C(=O)O CNP0271985.0 [0,0,0,0,0,1|2,0,1]=4 308 B8R0.23 CC(C)C[C@@H](N)C(=O)N CNP0135603.3 [0,0,0,0,0,1|2,0,0]=3 309 B8R0.23 CC(C)C[C@@H](N)C(=O)O CNP0201141.2 [0,0,0,0,0,1|1,0,0]=2 310 B8R0.23 CC(C)C[C@@H](O)C(=O)O CNP0270190.1 [0,0,0,0,0,1|2,0,0]=3 311 B8R0.23 CC(C)C[C@H](N)C(=O)N CNP0135603.2 [0,0,0,0,0,1|2,0,0]=3 312 B8R0.23 CC(C)C[C@H](N)C(=O)O CNP0201141.1 [0,0,0,0,0,1|1,0,0]=2 313 B8R0.23 CC(C)C[C@H](O)C(=O)O CNP0270190.2 [0,0,0,0,0,1|2,0,0]=3 314 B8R0.23 CC(C)[C@@H](N)CC(=O)O CNP0294752.1 [0,0,0,0,0,1|1,0,0]=2 315 B8R0.23 CC(C)[C@H](O)CC(=O)O CNP0314965.1 [0,0,0,0,0,1|2,0,0]=3 316 B8R0.23 CC(O)C(N)CC(=O)O CNP0415810.0 [0,0,0,0,0,1|0,0,0]=1 317 B8R0.23 CC(O)CC(=O)C(=O)O CNP0082912.0 [0,0,0,0,0,1|1,0,1]=3 318 B8R0.23 CN(C)C[C@H](N)C(=O)O CNP0374568.1 [0,0,0,0,0,1|2,0,0]=3 319 B8R0.23 CN(O)C(=O)NC(=O)O CNP0303620.0 [0,0,0,0,0,1|2,0,1]=4 320 B8R0.23 C[C@@H](CC(=O)O)C(=O)O CNP0294195.2 [0,0,0,0,0,1|2,0,1]=4 321 B8R0.23 C[C@@H](O)C[C@@H](N)C(=O)O CNP0191849.1 [0,0,0,0,0,1|0,0,0]=1 322 B8R0.23 C[C@@H](O)C[C@H](N)C(=O)O CNP0191849.2 [0,0,0,0,0,1|0,0,0]=1 323 B8R0.23 C[C@H](CC(=O)O)C(=O)O CNP0294195.1 [0,0,0,0,0,1|2,0,1]=4 324 B8R0.23 C[C@H](Cl)C[C@H](N)C(=O)O CNP0194801.1 [0,0,0,0,0,1|1,0,0]=2 325 B8R0.23 C[C@H](N)C[C@@H](N)C(=O)O CNP0252327.1 [0,0,0,0,0,1|1,0,0]=2 326 B8R0.23 C[C@H](O)C[C@H](N)C(=O)O CNP0191849.3 [0,0,0,0,0,1|0,0,0]=1 327 B8R0.23 C[S+]([O-])C(O)CC(=O)O CNP0600737.0 [0,0,0,0,0,1|2,0,1]=4 328 B8R0.23 C[S+]([O-])C[C@@H](N)C(=O)O CNP0580567.3 [0,0,0,0,0,1|1,0,1]=3 329 B8R0.23 C[S+]([O-])C[C@H](N)C(=O)O CNP0580567.2 [0,0,0,0,0,1|1,0,1]=3 330 B8R0.23 C[S@+]([O-])C[C@@H](N)C(=O)O CNP0580567.4 [0,0,0,0,0,1|1,0,1]=3 331 B8R0.23 C[S@+]([O-])C[C@H](N)C(=O)O CNP0580567.1 [0,0,0,0,0,1|1,0,1]=3 332 B8R0.23 C[S@H+]([O-])C[C@@H](N)C(=O)O CNP0585919.2 [0,0,0,0,0,1|1,0,1]=3 333 B8R0.23 C[S@H+]([O-])C[C@H](N)C(=O)O CNP0585919.1 [0,0,0,0,0,1|1,0,1]=3 334 B8R0.23 C[SeH](=O)C[C@H](N)C(=O)O CNP0480445.1 [0,0,0,0,0,1|1,0,1]=3 335 B8R0.23 C[Se](=O)C[C@H](N)C(=O)O CNP0218473.1 [0,0,0,0,0,1|1,0,1]=3 336 B8R0.23 NC(=O)C[C@@H](N)C(=O)O CNP0267849.2 [0,0,0,0,0,1|1,0,2]=4 337 B8R0.23 NC(=O)C[C@H](N)C(=O)O CNP0267849.1 [0,0,0,0,0,1|1,0,2]=4 338 B8R0.23 NC(=O)N[C@H](N)C(=O)O CNP0313342.1 [0,0,0,0,0,1|1,0,2]=4 339 B8R0.23 NC(=O)[C@@H](N)CC(=O)O CNP0177552.1 [0,0,0,0,0,1|1,0,2]=4 340 B8R0.23 NC(CC(=O)O)C(=O)[O-] CNP0542511.0 [0,0,0,0,0,1|1,0,2]=4 341 B8R0.23 NC(CC(=O)[O-])C(=O)O CNP0606657.0 [0,0,0,0,0,1|1,0,2]=4 342 B8R0.23 NC(CS(=O)=O)C(=O)O CNP0422129.0 [0,0,0,0,0,1|2,0,1]=4 343 B8R0.23 NC(C[Se](=O)O)C(=O)O CNP0053005.0 [0,0,0,0,0,1|2,0,0]=3 344 B8R0.23 N[C@@H](CC(=O)O)C(=O)O CNP0141839.1 [0,0,0,0,0,1|1,0,1]=3 345 B8R0.23 N[C@@H](CC(=O)O)C(=O)O CNP0334080.1 [0,0,0,0,0,1|1,0,1]=3 346 B8R0.23 N[C@@H](CC(Cl)Cl)C(=O)O CNP0220364.1 [0,0,0,0,0,1|2,0,0]=3 347 B8R0.23 N[C@@H](CS(=O)O)C(=O)O CNP0255086.1 [0,0,0,0,0,1|2,0,0]=3 348 B8R0.23 N[C@@H](C[S@@](=O)O)C(=O)O CNP0255086.4 [0,0,0,0,0,1|2,0,0]=3 349 B8R0.23 N[C@@H](C[S@](=O)O)C(=O)O CNP0255086.3 [0,0,0,0,0,1|2,0,0]=3 350 B8R0.23 N[C@@H](C[SH](=O)O)C(=O)O CNP0546202.2 [0,0,0,0,0,1|2,0,0]=3 351 B8R0.23 N[C@@H](C[S](=O)=O)C(=O)O CNP0002376.1 [0,0,0,0,0,1|2,0,1]=4 352 B8R0.23 N[C@@H](C[SeH](=O)=O)C(=O)O CNP0497016.1 [0,0,0,0,0,1|2,0,1]=4 353 B8R0.23 N[C@H](CC(=O)O)C(=O)O CNP0141839.2 [0,0,0,0,0,1|1,0,1]=3 354 B8R0.23 N[C@H](C[S@@](=O)O)C(=O)O CNP0255086.2 [0,0,0,0,0,1|2,0,0]=3 355 B8R0.23 N[C@H](C[SH](=O)O)C(=O)O CNP0546202.1 [0,0,0,0,0,1|2,0,0]=3 356 B8R0.23 O=C(O)CC(Cl)C(=O)O CNP0082226.0 [0,0,0,0,0,1|2,0,1]=4 357 B8R0.23 O=C(O)CC(S)C(=O)O CNP0402003.0 [0,0,0,0,0,1|2,0,1]=4 358 B8R0.23 O=C(O)C[C@@H](O)C(=O)O CNP0152510.2 [0,0,0,0,0,1|2,0,1]=4 359 B8R0.23 O=C(O)C[C@H](O)C(=O)O CNP0152510.1 [0,0,0,0,0,1|2,0,1]=4 360 B8R0.23 O=C(O)[13CH2][C@@H](O)C(=O)O CNP0152510.3 [0,0,0,0,0,1|2,0,1]=4 361 B8R0.23 O=C(O)[C@H](O)C=C(O)O CNP0478842.1 [0,0,0,0,0,1|2,0,1]=4 362 B5R0.1 C#CCC(=O)O CNP0049385.0 [2,0,0,0,0,0|0,0,2]=4 363 B5R0.1 C=C(Br)CCO CNP0595001.0 [2,0,0,0,0,0|2,0,0]=4 364 B5R0.1 C=C(C)CCC CNP0179329.0 [2,0,0,0,0,0|2,0,0]=4 365 B5R0.1 C=C(C)CCO CNP0285127.0 [2,0,0,0,0,0|2,0,0]=4 366 B5R0.1 C=C(O)CCC CNP0003382.0 [2,0,0,0,0,0|1,0,0]=3 367 B5R0.1 C=CCC(=O)O CNP0172155.0 [2,0,0,0,0,0|0,0,2]=4 368 B5R0.1 C=CCC(C)C CNP0293683.0 [2,0,0,0,0,0|2,0,0]=4 369 B5R0.1 C=CCC(C)O CNP0594112.0 [2,0,0,0,0,0|1,0,0]=3 370 B5R0.1 CC(=O)CCO CNP0251527.0 [2,0,0,0,0,0|1,0,0]=3 371 B5R0.1 CC(=O)CCS CNP0404753.0 [2,0,0,0,0,0|1,1,0]=4 372 B5R0.1 CC(C)C=CO CNP0546358.0 [2,0,0,0,0,0|1,0,1]=4 373 B5R0.1 CC(C)CC=O CNP0200023.0 [2,0,0,0,0,0|1,0,0]=3 374 B5R0.1 CC(C)CCO CNP0115711.0 [2,0,0,0,0,0|1,0,1]=4 375 B5R0.1 CC(C)CNO CNP0343206.0 [2,0,0,0,0,0|2,0,0]=4 376 B5R0.1 CC(C)OC=O CNP0079775.0 [2,0,0,0,0,0|2,0,0]=4 377 B5R0.1 CC(O)CCS CNP0002409.0 [2,0,0,0,0,0|0,1,1]=4 378 B5R0.1 CC=CC(=O)O CNP0379669.0 [2,0,0,0,0,0|0,0,2]=4 379 B5R0.1 CC=CC(C)O CNP0150168.0 [2,0,0,0,0,0|1,0,1]=4 380 B5R0.1 CCC=C(C)O CNP0225775.0 [2,0,0,0,0,0|1,0,1]=4 381 B5R0.1 CCCC(=O)C CNP0169448.0 [2,0,0,0,0,0|1,0,0]=3 382 B5R0.1 CCCC(=O)N CNP0115101.0 [2,0,0,0,0,0|1,0,0]=3 383 B5R0.1 CCCC(=O)O CNP0259447.0 [2,0,0,0,0,0|0,0,0]=2 384 B5R0.1 CCCC(=O)[O-] CNP0521413.0 [2,0,0,0,0,0|0,0,1]=3 385 B5R0.1 CCCC(O)O CNP0076336.0 [2,0,0,0,0,0|0,0,2]=4 386 B5R0.1 CCCS(=S)O CNP0558357.0 [2,0,0,0,0,0|1,1,0]=4 387 B5R0.1 CCC[C@@H](C)O CNP0287976.1 [2,0,0,0,0,0|1,0,1]=4 388 B5R0.1 CCC[C@H](C)O CNP0287976.2 [2,0,0,0,0,0|1,0,1]=4 389 B5R0.1 CCNC(=O)C CNP0260078.0 [2,0,0,0,0,0|2,0,0]=4 390 B5R0.1 CCOC(=O)C CNP0322418.0 [2,0,0,0,0,0|2,0,0]=4 391 B5R0.1 CCOC(=O)N CNP0336700.0 [2,0,0,0,0,0|2,0,0]=4 392 B5R0.1 CCOC(=O)O CNP0166515.0 [2,0,0,0,0,0|1,0,0]=3 393 B5R0.1 CCO[13C](=O)C CNP0577601.0 [2,0,0,0,0,0|2,0,0]=4 394 B5R0.1 CCSC(=O)C CNP0274861.0 [2,0,0,0,0,0|2,0,0]=4 395 B5R0.1 CNCC(=O)O CNP0307073.0 [2,0,0,0,0,0|1,0,0]=3 396 B5R0.1 CNCC(=O)O CNP0563704.0 [2,0,0,0,0,0|1,0,0]=3 397 B5R0.1 CNCC(=O)[O-] CNP0565920.0 [2,0,0,0,0,0|1,0,1]=4 398 B5R0.1 COCC(=O)C CNP0581024.0 [2,0,0,0,0,0|2,0,0]=4 399 B5R0.1 COCC(=O)O CNP0343219.0 [2,0,0,0,0,0|1,0,0]=3 400 B5R0.1 CSCC(=O)C CNP0002513.0 [2,0,0,0,0,0|2,0,0]=4 401 B5R0.1 CSCC(=O)O CNP0447839.0 [2,0,0,0,0,0|1,0,0]=3 402 B5R0.1 C[C@@H](O)CC#N CNP0115714.1 [2,0,0,0,0,0|1,0,1]=4 403 B5R0.1 C[C@@H](O)CC=O CNP0197470.1 [2,0,0,0,0,0|0,0,0]=2 404 B5R0.1 C[C@@H](O)CCO CNP0110972.2 [2,0,0,0,0,0|0,0,1]=3 405 B5R0.1 C[C@H](O)CCO CNP0110972.1 [2,0,0,0,0,0|0,0,1]=3 406 B5R0.1 C[Se]CC(=O)O CNP0526449.0 [2,0,0,0,0,0|1,0,0]=3 407 B5R0.1 C[Te]CC(=O)O CNP0537189.0 [2,0,0,0,0,0|1,0,0]=3 408 B5R0.1 N#CCC(=O)O CNP0269115.0 [2,0,0,0,0,0|1,0,1]=4 409 B5R0.1 NCCC(=O)O CNP0226336.0 [2,0,0,0,0,0|1,0,0]=3 410 B5R0.1 NCCP(=O)O CNP0498602.0 [2,0,0,0,0,0|2,0,0]=4 411 B5R0.1 NCC[S@@](=O)O CNP0211926.2 [2,0,0,0,0,0|2,0,0]=4 412 B5R0.1 NCC[S@](=O)O CNP0211926.1 [2,0,0,0,0,0|2,0,0]=4 413 B5R0.1 NOCC(=O)O CNP0293826.0 [2,0,0,0,0,0|2,0,0]=4 414 B5R0.1 O=C(O)C=NO CNP0286362.0 [2,0,0,0,0,0|1,0,1]=4 415 B5R0.1 O=C(O)CCO CNP0228379.0 [2,0,0,0,0,0|0,0,0]=2 416 B5R0.1 O=C(O)CCS CNP0097385.0 [2,0,0,0,0,0|0,1,0]=3 417 B5R0.1 O=C(O)CNO CNP0316873.0 [2,0,0,0,0,0|1,0,0]=3 418 B5R0.1 O=CCC(=O)O CNP0149091.0 [2,0,0,0,0,0|0,0,2]=4 419 B5R0.1 O=[N+]([O-])CCO CNP0479078.0 [2,0,0,0,0,0|1,0,1]=4 420 B5R0.1 [C-]#[N+]CC(=O)O CNP0534475.0 [2,0,0,0,0,0|1,0,1]=4 421 B5R0.3 C=C(C=O)CC CNP0542605.0 [2,0,0,0,0,0|1,0,1]=4 422 B5R0.3 C=C[C@@H](O)CC CNP0331558.1 [2,0,0,0,0,0|2,0,0]=4 423 B5R0.3 C=C[C@H](C)CO CNP0600503.1 [2,0,0,0,0,0|2,0,0]=4 424 B5R0.3 C=C[C@H](O)CC CNP0331558.2 [2,0,0,0,0,0|2,0,0]=4 425 B5R0.3 CC(CO)CO CNP0282467.0 [2,0,0,0,0,0|1,0,1]=4 426 B5R0.3 CCC(=O)C=O CNP0301331.0 [2,0,0,0,0,0|1,0,1]=4 427 B5R0.3 CCC(N)CC CNP0103985.0 [2,0,0,0,0,0|1,0,1]=4 428 B5R0.3 CCC(N)NC CNP0278870.0 [2,0,0,0,0,0|2,0,0]=4 429 B5R0.3 CCC(O)CO CNP0534149.0 [2,0,0,0,0,0|1,0,1]=4 430 B5R0.3 CC[C@@H](C)C=O CNP0220551.2 [2,0,0,0,0,0|1,0,0]=3 431 B5R0.3 CC[C@@H](C)CO CNP0185673.1 [2,0,0,0,0,0|1,0,1]=4 432 B5R0.3 CC[C@H](C)C=O CNP0220551.1 [2,0,0,0,0,0|1,0,0]=3 433 B5R0.3 CC[C@H](C)CO CNP0185673.2 [2,0,0,0,0,0|1,0,1]=4 434 B5R0.3 CN(C=O)CO CNP0412364.0 [2,0,0,0,0,0|2,0,0]=4 435 B5R0.3 NC(CO)CO CNP0535001.0 [2,0,0,0,0,0|0,0,1]=3 436 B5R0.3 O=C[C@H](O)CO CNP0359959.1 [2,0,0,0,0,0|1,0,0]=3 437 B5R0.3 OCC(O)CO CNP0259986.0 [2,0,0,0,0,0|1,0,1]=4 438 B5R0.5 C=C(C)C(=O)O CNP0147624.0 [2,0,0,0,0,0|1,0,1]=4 439 B5R0.5 C=C(C)[C@@H](C)O CNP0221154.1 [2,0,0,0,0,0|1,0,1]=4 440 B5R0.5 C=C(C)[C@H](C)O CNP0221154.2 [2,0,0,0,0,0|1,0,1]=4 441 B5R0.5 C=C(N)C(=O)O CNP0224979.0 [2,0,0,0,0,0|0,0,2]=4 442 B5R0.5 C=C(O)C(=O)O CNP0422136.0 [2,0,0,0,0,0|1,0,1]=4 443 B5R0.5 C=C(O)C(C)C CNP0150035.0 [2,0,0,0,0,0|2,0,0]=4 444 B5R0.5 CC(=N)C(=O)O CNP0556238.0 [2,0,0,0,0,0|0,0,2]=4 445 B5R0.5 CC(=O)C(=O)O CNP0269827.0 [2,0,0,0,0,0|1,0,1]=4 446 B5R0.5 CC(=O)C(C)C CNP0209504.0 [2,0,0,0,0,0|2,0,0]=4 447 B5R0.5 CC(=O)C(C)S CNP0409589.0 [2,0,0,0,0,0|2,0,0]=4 448 B5R0.5 CC(=O)C(O)O CNP0547141.0 [2,0,0,0,0,0|2,0,0]=4 449 B5R0.5 CC(=O)[C@@H](C)O CNP0395416.2 [2,0,0,0,0,0|1,0,1]=4 450 B5R0.5 CC(=O)[C@H](C)O CNP0395416.1 [2,0,0,0,0,0|1,0,1]=4 451 B5R0.5 CC(C)C(=O)Cl CNP0337045.0 [2,0,0,0,0,0|2,0,0]=4 452 B5R0.5 CC(C)C(=O)N CNP0226996.0 [2,0,0,0,0,0|1,0,1]=4 453 B5R0.5 CC(C)C(=O)O CNP0197560.0 [2,0,0,0,0,0|1,0,0]=3 454 B5R0.5 CC(C)[C@@H](C)N CNP0573557.1 [2,0,0,0,0,0|1,0,1]=4 455 B5R0.5 CC(C)[C@@H](C)O CNP0315380.1 [2,0,0,0,0,0|1,0,1]=4 456 B5R0.5 CC(C)[C@H](C)O CNP0315380.2 [2,0,0,0,0,0|1,0,1]=4 457 B5R0.5 CC(O)C(=O)[O-] CNP0519619.0 [2,0,0,0,0,0|1,0,1]=4 458 B5R0.5 CC(O)C(=O)[O-] CNP0556254.0 [2,0,0,0,0,0|1,0,1]=4 459 B5R0.5 CC(O)C(=O)[O-] CNP0561690.0 [2,0,0,0,0,0|1,0,1]=4 460 B5R0.5 CC(O)C(=O)[O-] CNP0579849.0 [2,0,0,0,0,0|1,0,1]=4 461 B5R0.5 CC(O)C(=O)[O-] CNP0592207.0 [2,0,0,0,0,0|1,0,1]=4 462 B5R0.5 CC(O)C(C)S CNP0002511.0 [2,0,0,0,0,0|1,0,1]=4 463 B5R0.5 C[C@@H](N)C(=O)O CNP0313085.2 [2,0,0,0,0,0|0,0,0]=2 464 B5R0.5 C[C@@H](O)C(=O)O CNP0232038.2 [2,0,0,0,0,0|1,0,0]=3 465 B5R0.5 C[C@@H](O)[C@@H](C)O CNP0115674.2 [2,0,0,0,0,0|1,0,0]=3 466 B5R0.5 C[C@H](N)C(=O)O CNP0313085.1 [2,0,0,0,0,0|0,0,0]=2 467 B5R0.5 C[C@H](O)C(=O)O CNP0232038.1 [2,0,0,0,0,0|1,0,0]=3 468 B5R0.5 C[C@H](O)C(Br)Br CNP0106114.1 [2,0,0,0,0,0|2,0,0]=4 469 B5R0.5 C[C@H](O)[C@@H](C)O CNP0115674.1 [2,0,0,0,0,0|1,0,0]=3 470 B5R0.5 C[C@H](O)[C@H](C)O CNP0115674.3 [2,0,0,0,0,0|1,0,0]=3 471 B5R0.5 C[C@H](S)C(=O)O CNP0223404.1 [2,0,0,0,0,0|1,0,0]=3 472 B5R0.5 NC(=O)C(=O)O CNP0300477.0 [2,0,0,0,0,0|0,0,2]=4 473 B5R0.5 N[C@H](O)C(=O)O CNP0294076.1 [2,0,0,0,0,0|0,0,0]=2 474 B5R0.5 O=C(O)C(=O)O CNP0235859.0 [2,0,0,0,0,0|1,0,1]=4 475 B5R0.5 O=C(O)C(Br)Br CNP0111357.0 [2,0,0,0,0,0|2,0,0]=4 476 B5R0.5 O=C(O)C(Cl)Cl CNP0151680.0 [2,0,0,0,0,0|2,0,0]=4 477 B5R0.5 O=C(O)C(I)I CNP0320084.0 [2,0,0,0,0,0|2,0,0]=4 478 B5R0.5 O=C(O)C(O)O CNP0603869.0 [2,0,0,0,0,0|1,0,0]=3 479 B5R0.5 O=C(O)[C@@H](Cl)Br CNP0017815.1 [2,0,0,0,0,0|2,0,0]=4 480 B5R0.5 O=C(O)[C@@H](Cl)I CNP0145949.2 [2,0,0,0,0,0|2,0,0]=4 481 B5R0.5 O=C(O)[C@H](Br)I CNP0246601.1 [2,0,0,0,0,0|2,0,0]=4 482 B5R0.5 O=C(O)[C@H](Cl)I CNP0145949.1 [2,0,0,0,0,0|2,0,0]=4 483 B5R0.5 O=[13C](O)[13C](=O)O CNP0502595.0 [2,0,0,0,0,0|1,0,1]=4 484 B7R0.2 C=C[C@H](O)CC(=O)O CNP0357372.1 [1,1,0,0,0,0|0,0,1]=3 485 B7R0.2 CC(=O)CC(=NO)C CNP0221601.0 [1,1,0,0,0,0|1,0,1]=4 486 B7R0.2 CC(C)CC(=O)C#N CNP0113699.0 [1,1,0,0,0,0|2,0,0]=4 487 B7R0.2 CC(CO)CC(=O)O CNP0350905.0 [1,1,0,0,0,0|0,0,0]=2 488 B7R0.2 CC=C(C)CC(=O)O CNP0178168.0 [1,1,0,0,0,0|1,0,1]=4 489 B7R0.2 CCC(=O)CC(=O)O CNP0066606.0 [1,1,0,0,0,0|0,0,2]=4 490 B7R0.2 CCC(=O)CC(C)C CNP0284484.0 [1,1,0,0,0,0|2,0,0]=4 491 B7R0.2 CCC(C)CC(=O)C CNP0555982.0 [1,1,0,0,0,0|2,0,0]=4 492 B7R0.2 CC[C@@H](C)CC(=O)O CNP0258429.2 [1,1,0,0,0,0|1,0,0]=3 493 B7R0.2 CC[C@H](C)CC(=O)Cl CNP0111918.1 [1,1,0,0,0,0|2,0,0]=4 494 B7R0.2 CC[C@H](C)CC(=O)N CNP0105662.1 [1,1,0,0,0,0|2,0,0]=4 495 B7R0.2 CC[C@H](C)CC(=O)O CNP0258429.1 [1,1,0,0,0,0|1,0,0]=3 496 B7R0.2 CC[C@H](O)CC(=O)N CNP0018371.1 [1,1,0,0,0,0|1,0,0]=3 497 B7R0.2 CC[C@H](O)CC(=O)O CNP0308552.1 [1,1,0,0,0,0|0,0,0]=2 498 B7R0.2 CC[C@H](O)C[N+](=O)[O-] CNP0493825.1 [1,1,0,0,0,0|1,0,1]=4 499 B7R0.2 COC(=O)CC(=O)C CNP0086286.0 [1,1,0,0,0,0|0,0,2]=4 500 B7R0.2 COC(=O)CC(=O)O CNP0461449.0 [1,1,0,0,0,0|0,0,2]=4 501 B7R0.2 COC(=O)CC(C)C CNP0289344.0 [1,1,0,0,0,0|1,0,0]=3 502 B7R0.2 COC(=O)CC(C)S CNP0050854.0 [1,1,0,0,0,0|0,1,0]=3 503 B7R0.2 COC(=O)CN(C)C CNP0318263.0 [1,1,0,0,0,0|2,0,0]=4 504 B7R0.2 COC(=O)C[C@@H](C)N CNP0127877.1 [1,1,0,0,0,0|1,0,0]=3 505 B7R0.2 COC(=O)C[C@H](C)O CNP0117417.1 [1,1,0,0,0,0|0,0,0]=2 506 B7R0.2 COC(=O)C[S+](C)C CNP0025669.0 [1,1,0,0,0,0|2,0,0]=4 507 B7R0.2 COC(=O)C[S](C)C CNP0539244.0 [1,1,0,0,0,0|2,0,0]=4 508 B7R0.2 CSC(=O)CC(C)C CNP0084338.0 [1,1,0,0,0,0|1,1,0]=4 509 B7R0.2 C[C@@H](O)C[C@H](N)C=O CNP0116023.1 [1,1,0,0,0,0|1,0,1]=4 510 B7R0.2 C[C@H](O)C[C@H](N)C=O CNP0116023.2 [1,1,0,0,0,0|1,0,1]=4 511 B7R0.2 NC[C@@H](N)CC(=O)O CNP0190172.1 [1,1,0,0,0,0|1,0,0]=3 512 B7R0.2 NC[C@@H](O)CC(=O)O CNP0335183.1 [1,1,0,0,0,0|0,0,0]=2 513 B7R0.2 NC[C@H](N)CC(=O)O CNP0190172.2 [1,1,0,0,0,0|1,0,0]=3 514 B7R0.2 NC[C@H](O)CC(=O)O CNP0335183.2 [1,1,0,0,0,0|0,0,0]=2 515 B7R0.2 N[C@@H](CS)CC(=O)O CNP0534853.1 [1,1,0,0,0,0|1,0,0]=3 516 B7R0.2 N[C@H](C=O)CC(=O)O CNP0335008.1 [1,1,0,0,0,0|1,0,1]=4 517 B7R0.2 N[C@H](CO)CC(=O)O CNP0415784.1 [1,1,0,0,0,0|1,0,0]=3 518 B7R0.2 O=C(O)CC(=O)CBr CNP0292204.0 [1,1,0,0,0,0|0,0,2]=4 519 B7R0.2 O=C(O)C[C@H](O)CO CNP0269358.1 [1,1,0,0,0,0|0,0,0]=2 520 B7R0.2 O=CN(O)CC(=O)O CNP0278033.0 [1,1,0,0,0,0|1,0,1]=4 521 B7R0.9 CC(=O)CC(C)(C)N CNP0308677.0 [1,1,0,0,0,0|2,0,0]=4 522 B7R0.9 CC(=O)CC(C)(C)O CNP0333881.0 [1,1,0,0,0,0|1,0,0]=3 523 B7R0.9 CC(=O)CC(C)(C)S CNP0003365.0 [1,1,0,0,0,0|1,1,0]=4 524 B7R0.9 CC(C)(O)CC(=O)O CNP0284455.0 [1,1,0,0,0,0|0,0,0]=2 525 B7R0.9 CC(O)CP(=O)(O)O CNP0083683.0 [1,1,0,0,0,0|1,0,0]=3 526 B7R0.9 C[As+](C)(C)CC(=O)O CNP0017752.0 [1,1,0,0,0,0|2,0,0]=4 527 B7R0.9 C[C@@H](O)CC(C)(C)O CNP0352838.2 [1,1,0,0,0,0|1,0,1]=4 528 B7R0.9 C[C@H](O)CC(C)(C)O CNP0352838.1 [1,1,0,0,0,0|1,0,1]=4 529 B7R0.9 C[N+](C)(C)CC(=O)O CNP0143060.0 [1,1,0,0,0,0|2,0,0]=4 530 B7R0.9 C[N+](C)(C)CC(=O)O CNP0558485.0 [1,1,0,0,0,0|2,0,0]=4 531 B7R0.9 O=C(O)CP(=O)(O)O CNP0167519.0 [1,1,0,0,0,0|2,0,0]=4 532 B7R0.9 O=C(O)CS(=O)(=O)O CNP0082810.0 [1,1,0,0,0,0|2,0,0]=4 533 B7R0.5 C#CC[C@@H](N)C(=O)O CNP0149987.1 [1,1,0,0,0,0|0,0,1]=3 534 B7R0.5 C#CC[C@H](N)C(=O)O CNP0149987.2 [1,1,0,0,0,0|0,0,1]=3 535 B7R0.5 C=C(CCN)C(=O)O CNP0291146.0 [1,1,0,0,0,0|1,0,1]=4 536 B7R0.5 C=C(CCO)C(=O)O CNP0185726.0 [1,1,0,0,0,0|1,0,1]=4 537 B7R0.5 C=CCC(C)C(=O)O CNP0293941.0 [1,1,0,0,0,0|1,0,1]=4 538 B7R0.5 C=CC[C@@H](N)C(=O)O CNP0299155.1 [1,1,0,0,0,0|0,0,1]=3 539 B7R0.5 C=CC[C@H](N)C(=O)O CNP0299155.2 [1,1,0,0,0,0|0,0,1]=3 540 B7R0.5 CC(=CCO)C(=O)O CNP0200165.0 [1,1,0,0,0,0|1,0,1]=4 541 B7R0.5 CC=CC(C)C(=O)O CNP0085321.0 [1,1,0,0,0,0|1,0,1]=4 542 B7R0.5 CCC=C(C)C(=O)O CNP0133224.0 [1,1,0,0,0,0|1,0,1]=4 543 B7R0.5 CCCC(=O)C(=O)O CNP0186110.0 [1,1,0,0,0,0|1,0,1]=4 544 B7R0.5 CCCC(C)C(=O)C CNP0145602.0 [1,1,0,0,0,0|2,0,0]=4 545 B7R0.5 CCC[C@@H](C)C(=O)Cl CNP0181182.1 [1,1,0,0,0,0|2,0,0]=4 546 B7R0.5 CCC[C@@H](C)C(=O)N CNP0263004.1 [1,1,0,0,0,0|2,0,0]=4 547 B7R0.5 CCC[C@@H](C)C(=O)O CNP0218134.2 [1,1,0,0,0,0|1,0,0]=3 548 B7R0.5 CCC[C@@H](N)C(=O)O CNP0198245.2 [1,1,0,0,0,0|0,0,0]=2 549 B7R0.5 CCC[C@@H](O)C(=O)C CNP0171062.1 [1,1,0,0,0,0|2,0,0]=4 550 B7R0.5 CCC[C@H](C)C(=O)Cl CNP0181182.2 [1,1,0,0,0,0|2,0,0]=4 551 B7R0.5 CCC[C@H](C)C(=O)N CNP0263004.2 [1,1,0,0,0,0|2,0,0]=4 552 B7R0.5 CCC[C@H](C)C(=O)O CNP0218134.1 [1,1,0,0,0,0|1,0,0]=3 553 B7R0.5 CCC[C@H](N)C(=O)N CNP0559533.1 [1,1,0,0,0,0|1,0,0]=3 554 B7R0.5 CCC[C@H](N)C(=O)O CNP0198245.1 [1,1,0,0,0,0|0,0,0]=2 555 B7R0.5 CCC[C@H](O)C(=O)O CNP0107771.1 [1,1,0,0,0,0|1,0,0]=3 556 B7R0.5 CCOC(C)C(=O)C CNP0496996.0 [1,1,0,0,0,0|2,0,0]=4 557 B7R0.5 CNC[C@@H](N)C(=O)O CNP0237559.2 [1,1,0,0,0,0|0,0,0]=2 558 B7R0.5 CNC[C@H](N)C(=O)O CNP0237559.1 [1,1,0,0,0,0|0,0,0]=2 559 B7R0.5 CSC[C@@H](N)C(=O)O CNP0391530.2 [1,1,0,0,0,0|0,0,0]=2 560 B7R0.5 CSC[C@H](N)C(=O)O CNP0391530.1 [1,1,0,0,0,0|0,0,0]=2 561 B7R0.5 C[C@@H](CCN)C(=O)O CNP0117278.1 [1,1,0,0,0,0|1,0,0]=3 562 B7R0.5 C[C@H](CCN)C(=O)O CNP0117278.2 [1,1,0,0,0,0|1,0,0]=3 563 B7R0.5 C[Se]C[C@H](N)C(=O)O CNP0420303.1 [1,1,0,0,0,0|0,0,0]=2 564 B7R0.5 N#CC[C@@H](N)C(=O)O CNP0254991.2 [1,1,0,0,0,0|0,0,1]=3 565 B7R0.5 N#CC[C@H](N)C(=O)O CNP0254991.1 [1,1,0,0,0,0|0,0,1]=3 566 B7R0.5 NC(C[S]=O)C(=O)O CNP0289741.0 [1,1,0,0,0,0|0,0,1]=3 567 B7R0.5 NCC[C@@H](N)C(=O)O CNP0283118.2 [1,1,0,0,0,0|0,0,0]=2 568 B7R0.5 NCC[C@H](N)C(=O)O CNP0283118.1 [1,1,0,0,0,0|0,0,0]=2 569 B7R0.5 NOCC(N)C(=O)O CNP0338620.0 [1,1,0,0,0,0|0,0,0]=2 570 B7R0.5 N[C@@H](CC=O)C(=O)O CNP0119915.1 [1,1,0,0,0,0|0,0,1]=3 571 B7R0.5 N[C@@H](CCO)C(=O)O CNP0287745.2 [1,1,0,0,0,0|0,0,0]=2 572 B7R0.5 N[C@@H](CCS)C(=O)O CNP0193002.1 [1,1,0,0,0,0|0,0,0]=2 573 B7R0.5 N[C@@H](CC[SeH])C(=O)O CNP0083667.1 [1,1,0,0,0,0|0,0,0]=2 574 B7R0.5 N[C@@H](CSO)C(=O)O CNP0559160.1 [1,1,0,0,0,0|0,0,0]=2 575 B7R0.5 N[C@@H](CSS)C(=O)O CNP0101794.1 [1,1,0,0,0,0|0,1,0]=3 576 B7R0.5 N[C@@H](CS[SeH])C(=O)O CNP0603953.1 [1,1,0,0,0,0|0,1,0]=3 577 B7R0.5 N[C@@H](C[S+]=O)C(=O)O CNP0587703.1 [1,1,0,0,0,0|0,0,1]=3 578 B7R0.5 N[C@H](CC=O)C(=O)O CNP0119915.2 [1,1,0,0,0,0|0,0,1]=3 579 B7R0.5 N[C@H](CCO)C(=O)O CNP0287745.3 [1,1,0,0,0,0|0,0,0]=2 580 B7R0.5 N[C@H](CCS)C(=O)O CNP0193002.2 [1,1,0,0,0,0|0,0,0]=2 581 B7R0.5 N[C@H](CSS)C(=O)O CNP0101794.2 [1,1,0,0,0,0|0,1,0]=3 582 B7R0.5 O=C(O)C(=O)CCO CNP0361332.0 [1,1,0,0,0,0|1,0,1]=4 583 B7R0.5 O=C(O)C(O)CCO CNP0218005.0 [1,1,0,0,0,0|1,0,0]=3 584 B7R0.10 C=C(CO)[C@@H](O)CO CNP0158092.2 [1,1,0,0,0,0|2,0,0]=4 585 B7R0.10 C=C(CO)[C@H](O)CO CNP0158092.1 [1,1,0,0,0,0|2,0,0]=4 586 B7R0.10 C=CC(=O)C(C)CC CNP0127244.0 [1,1,0,0,0,0|2,0,0]=4 587 B7R0.10 CCC(=O)[C@@H](C)CC CNP0326368.2 [1,1,0,0,0,0|2,0,0]=4 588 B7R0.10 CCC(=O)[C@H](C)CC CNP0326368.1 [1,1,0,0,0,0|2,0,0]=4 589 B7R0.10 CCC(C)C(N)C=O CNP0141097.0 [1,1,0,0,0,0|1,0,0]=3 590 B7R0.10 CCC(O)C(=O)OC CNP0611994.0 [1,1,0,0,0,0|1,0,0]=3 591 B7R0.10 CCC(S)C(C)C=O CNP0191585.0 [1,1,0,0,0,0|1,1,0]=4 592 B7R0.10 CC[C@@H](C)C(=O)OC CNP0253021.1 [1,1,0,0,0,0|1,0,0]=3 593 B7R0.10 CC[C@H](C)C(=O)OC CNP0253021.2 [1,1,0,0,0,0|1,0,0]=3 594 B7R0.10 CC[C@H](C)[C@H](N)CO CNP0145696.1 [1,1,0,0,0,0|1,0,1]=4 595 B7R0.10 CN[C@@H](C)C(=O)OC CNP0066351.2 [1,1,0,0,0,0|2,0,0]=4 596 B7R0.10 CN[C@H](C)C(=O)OC CNP0066351.1 [1,1,0,0,0,0|2,0,0]=4 597 B7R0.10 COC(=O)C(C)CO CNP0487988.0 [1,1,0,0,0,0|1,0,0]=3 598 B7R0.10 COC(=O)[C@@H](N)CO CNP0398727.2 [1,1,0,0,0,0|0,0,0]=2 599 B7R0.10 COC(=O)[C@@H](N)CS CNP0178612.1 [1,1,0,0,0,0|0,1,0]=3 600 B7R0.10 COC(=O)[C@@H](O)CO CNP0269483.1 [1,1,0,0,0,0|1,0,0]=3 601 B7R0.10 COC(=O)[C@H](N)CS CNP0178612.2 [1,1,0,0,0,0|0,1,0]=3 602 B7R0.10 COC(=O)[C@H](O)CO CNP0269483.2 [1,1,0,0,0,0|1,0,0]=3 603 B7R0.10 C[C@H](CO)N(O)N=O CNP0202103.1 [1,1,0,0,0,0|2,0,0]=4 604 B7R0.10 N=CC(O)C(O)CO CNP0082119.0 [1,1,0,0,0,0|2,0,0]=4 605 B7R0.10 N[C@@H](C=O)[C@@H](O)CO CNP0312963.1 [1,1,0,0,0,0|0,0,0]=2 606 B7R0.10 O=C(CO)[C@@H](O)CO CNP0200270.1 [1,1,0,0,0,0|1,0,0]=3 607 B7R0.10 O=C(CO)[C@H](O)CO CNP0200270.2 [1,1,0,0,0,0|1,0,0]=3 608 B7R0.10 O=C[C@H](O)[C@H](O)CO CNP0166180.1 [1,1,0,0,0,0|1,0,0]=3 609 B7R0.10 OC[C@@H](O)[C@@H](O)CO CNP0150660.1 [1,1,0,0,0,0|1,0,1]=4 610 B7R0.10 OC[C@@H](O)[C@H](O)CO CNP0150660.2 [1,1,0,0,0,0|1,0,1]=4 611 B7R0.10 OC[C@H](O)[C@@H](O)CO CNP0150660.3 [1,1,0,0,0,0|1,0,1]=4 612 B7R0.13 CC(C)(CO)C(=O)O CNP0611685.0 [1,1,0,0,0,0|1,0,0]=3 613 B7R0.13 CC(O)(CO)C(=O)O CNP0027858.0 [1,1,0,0,0,0|1,0,0]=3 614 B7R0.13 CCC(C)(C)C(=O)O CNP0573336.0 [1,1,0,0,0,0|1,0,0]=3 615 B7R0.13 CC[C@@](C)(N)C(=O)O CNP0244941.2 [1,1,0,0,0,0|0,0,0]=2 616 B7R0.13 CC[C@@](C)(O)C(=O)N CNP0151624.1 [1,1,0,0,0,0|2,0,0]=4 617 B7R0.13 CC[C@@](C)(O)C(=O)O CNP0382124.1 [1,1,0,0,0,0|1,0,0]=3 618 B7R0.13 CC[C@](C)(N)C(=O)O CNP0244941.1 [1,1,0,0,0,0|0,0,0]=2 619 B7R0.13 CC[C@](C)(O)C(=O)O CNP0382124.2 [1,1,0,0,0,0|1,0,0]=3 620 B7R0.13 CNC(C)(C)C(=O)O CNP0083839.0 [1,1,0,0,0,0|2,0,0]=4 621 B7R0.13 C[C@@](N)(CO)C(=O)O CNP0259604.2 [1,1,0,0,0,0|0,0,0]=2 622 B7R0.13 C[C@](N)(CO)C(=O)O CNP0259604.1 [1,1,0,0,0,0|0,0,0]=2 623 B7R0.15 CC=C(CO)C(=O)O CNP0149577.0 [1,1,0,0,0,0|1,0,1]=4 624 B7R0.15 CC=C(NC)C(=O)O CNP0549286.0 [1,1,0,0,0,0|0,0,2]=4 625 B7R0.15 CCC(CC)C(=O)C CNP0229208.0 [1,1,0,0,0,0|2,0,0]=4 626 B7R0.15 CCC(CC)C(=O)Cl CNP0201828.0 [1,1,0,0,0,0|2,0,0]=4 627 B7R0.15 CCC(CC)C(=O)N CNP0189423.0 [1,1,0,0,0,0|2,0,0]=4 628 B7R0.15 CCC(CC)C(=O)O CNP0174903.0 [1,1,0,0,0,0|1,0,0]=3 629 B7R0.15 CCC(CO)C(=O)O CNP0245703.0 [1,1,0,0,0,0|1,0,0]=3 630 B7R0.15 CC[C@@H](NC)C(=O)O CNP0244843.1 [1,1,0,0,0,0|0,0,0]=2 631 B7R0.15 CN[C@@H](CN)C(=O)O CNP0572374.2 [1,1,0,0,0,0|1,0,0]=3 632 B7R0.15 CN[C@@H](CO)C(=O)O CNP0106958.1 [1,1,0,0,0,0|0,0,0]=2 633 B7R0.15 CN[C@H](CN)C(=O)O CNP0572374.1 [1,1,0,0,0,0|1,0,0]=3 634 B7R0.15 CN[C@H](CO)C(=O)O CNP0106958.2 [1,1,0,0,0,0|0,0,0]=2 635 B7R0.15 NC[C@@H](CO)C(=O)O CNP0523802.1 [1,1,0,0,0,0|0,0,0]=2 636 B7R0.15 O=C(O)C(CI)CI CNP0474243.0 [1,1,0,0,0,0|2,0,0]=4 637 B7R0.15 O=C(O)C(CS)CS CNP0329155.0 [1,1,0,0,0,0|1,1,0]=4 638 B9R0.10 CC(C)C[C@@H](N)P(=O)(O)O CNP0326502.2 [0,1,0,0,0,1|2,0,0]=4 639 B9R0.10 CC(C)C[C@H](N)P(=O)(O)O CNP0326502.1 [0,1,0,0,0,1|2,0,0]=4 640 B9R0.11 CC(C)C[C@](C)(N)C(=O)O CNP0508050.1 [0,1,0,0,0,1|1,0,0]=3 641 B9R0.11 CC(C)[C@@](C)(O)CC(=O)O CNP0235534.2 [0,1,0,0,0,1|2,0,0]=4 642 B9R0.11 CC(C)[C@](C)(O)CC(=O)O CNP0235534.1 [0,1,0,0,0,1|2,0,0]=4 643 B9R0.11 C[C@](N)(CC(=O)O)C(=O)O CNP0128541.1 [0,1,0,0,0,1|1,0,1]=4 644 B9R0.23 CC(C)C[C@H](N)C(=O)NO CNP0527266.1 [0,1,0,0,0,1|1,0,0]=3 645 B9R0.23 CC[C@@H](O)[C@H](C)NC(=O)C CNP0535111.2 [0,1,0,0,0,1|2,0,0]=4 646 B9R0.23 CC[C@H](C)[C@H](N)CC(=O)O CNP0415773.1 [0,1,0,0,0,1|1,0,0]=3 647 B9R0.23 CC[C@H](O)[C@H](C)NC(=O)C CNP0535111.1 [0,1,0,0,0,1|2,0,0]=4 648 B9R0.23 COC(=O)C(O)CC(C)C CNP0002916.0 [0,1,0,0,0,1|2,0,0]=4 649 B9R0.23 COC(=O)[C@@H](N)CC(C)C CNP0396242.2 [0,1,0,0,0,1|1,0,0]=3 650 B9R0.23 COC(=O)[C@H](N)CC(C)C CNP0396242.3 [0,1,0,0,0,1|1,0,0]=3 651 B9R0.23 NC(CC(=O)O)C(=O)O[K+] CNP0611577.0 [0,1,0,0,0,1|1,0,1]=4 652 B9R0.23 N[C@H](CC(=O)O)C(=O)O[K+] CNP0611577.1 [0,1,0,0,0,1|1,0,1]=4 653 B9R0.23 O=C(O)C[C@H](O)[C@H](O)CO CNP0393490.1 [0,1,0,0,0,1|1,0,0]=3 654 B9R0.39 CC(C)C[C@H](CS)C(=O)O CNP0552344.1 [0,1,0,0,0,1|2,0,0]=4 655 B9R0.39 CC(C)C[C@H](NO)C(=O)O CNP0205469.1 [0,1,0,0,0,1|1,0,0]=3 656 B9R0.39 CC(C)N[C@@H](CS)C(=O)O CNP0565141.1 [0,1,0,0,0,1|2,0,0]=4 657 B9R0.39 CC[C@@H](CC(=O)O)C(C)C CNP0293988.1 [0,1,0,0,0,1|2,0,0]=4 658 B9R0.39 CC[C@H](CC(=O)O)C(C)C CNP0293988.2 [0,1,0,0,0,1|2,0,0]=4 659 B9R0.39 CN[C@@H](CC(=O)O)C(=O)O CNP0177941.1 [0,1,0,0,0,1|1,0,1]=4 660 B9R0.39 CN[C@@H](CC(C)C)C(=O)O CNP0299896.1 [0,1,0,0,0,1|1,0,0]=3 661 B9R0.39 CN[C@H](CC(=O)O)C(=O)O CNP0177941.2 [0,1,0,0,0,1|1,0,1]=4 662 B9R0.39 CN[C@H](CC(C)C)C(=O)O CNP0299896.2 [0,1,0,0,0,1|1,0,0]=3 663 B9R0.39 O=C(O)C[C@H](NO)C(=O)O CNP0495196.1 [0,1,0,0,0,1|1,0,1]=4 664 B9R0.42 C#C[C@@H](O)C[C@@H](N)C(=O)O CNP0239105.1 [0,1,0,0,0,1|0,0,1]=3 665 B9R0.42 C#C[C@H](C)C[C@H](N)C(=O)O CNP0212234.1 [0,1,0,0,0,1|1,0,0]=3 666 B9R0.42 C/C=C(/C)\C[C@H](N)C(=O)O CNP0271442.1 [0,1,0,0,0,1|1,0,1]=4 667 B9R0.42 C/C=C(\C)/C[C@H](N)C(=O)O CNP0271442.2 [0,1,0,0,0,1|1,0,1]=4 668 B9R0.42 C=C(CC)C[C@H](N)C(=O)O CNP0154290.1 [0,1,0,0,0,1|1,0,1]=4 669 B9R0.42 C=C[C@@H](C)C[C@H](N)C(=O)O CNP0160242.1 [0,1,0,0,0,1|1,0,0]=3 670 B9R0.42 C=C[C@H](C)C[C@H](N)C(=O)O CNP0160242.2 [0,1,0,0,0,1|1,0,0]=3 671 B9R0.42 CC(C=O)OC(C)C(=O)O CNP0502212.0 [0,1,0,0,0,1|1,0,1]=4 672 B9R0.42 CCC(=O)C[C@H](N)C(=O)O CNP0276322.1 [0,1,0,0,0,1|0,0,2]=4 673 B9R0.42 CCC(C)C[C@H](N)C(=O)O CNP0257538.2 [0,1,0,0,0,1|1,0,0]=3 674 B9R0.42 CCC(O)C[C@H](N)C(=O)O CNP0517544.1 [0,1,0,0,0,1|0,0,0]=2 675 B9R0.42 CC[C@H](C)C[C@H](N)C(=O)O CNP0257538.1 [0,1,0,0,0,1|1,0,0]=3 676 B9R0.42 CC[S+]([O-])C[C@H](N)C(=O)O CNP0557818.1 [0,1,0,0,0,1|1,0,1]=4 677 B9R0.42 CC[S@+]([O-])C[C@H](N)C(=O)O CNP0557818.2 [0,1,0,0,0,1|1,0,1]=4 678 B9R0.42 CC[S@H+]([O-])C[C@H](N)C(=O)O CNP0529889.1 [0,1,0,0,0,1|1,0,1]=4 679 B9R0.42 COC(=O)C[C@@H](N)C(=O)O CNP0082293.1 [0,1,0,0,0,1|0,0,2]=4 680 B9R0.42 C[C@@H](O)[C@@H](O)C[C@@H](O)C=O CNP0164103.1 [0,1,0,0,0,1|1,0,1]=4 681 B9R0.42 C[C@H](CCl)C[C@H](N)C(=O)O CNP0213488.1 [0,1,0,0,0,1|1,0,0]=3 682 B9R0.42 C[C@H](O)[C@@H](O)C[C@H](O)C=O CNP0164103.2 [0,1,0,0,0,1|1,0,1]=4 683 B9R0.42 NC[C@@H](O)C[C@H](N)C(=O)O CNP0310937.1 [0,1,0,0,0,1|0,0,0]=2 684 B9R0.42 NC[C@H](O)CC(=O)C(=O)O CNP0566698.1 [0,1,0,0,0,1|1,0,1]=4 685 B9R0.42 NC[C@H](O)C[C@H](N)C(=O)O CNP0310937.2 [0,1,0,0,0,1|0,0,0]=2 686 B9R0.42 N[C@@H](CC(=O)CO)C(=O)O CNP0170448.1 [0,1,0,0,0,1|0,0,2]=4 687 B9R0.42 N[C@@H](CC(=O)NO)C(=O)O CNP0289364.1 [0,1,0,0,0,1|1,0,1]=4 688 B9R0.42 N[C@@H](CN(O)N=O)C(=O)O CNP0186686.1 [0,1,0,0,0,1|2,0,0]=4 689 B9R0.42 N[C@@H](C[C@@H](O)C=O)C(=O)O CNP0264056.1 [0,1,0,0,0,1|0,0,1]=3 690 B9R0.42 N[C@@H](C[C@H](O)CO)C(=O)O CNP0364941.1 [0,1,0,0,0,1|0,0,0]=2 691 B9R0.42 N[C@@H](C[N+](=NO)[O-])C(=O)O CNP0568394.1 [0,1,0,0,0,1|2,0,0]=4 692 B9R0.42 O=C(O)C(O)CC(O)CO CNP0583941.0 [0,1,0,0,0,1|1,0,0]=3 693 B9R0.57 CC(C)(O)C[C@H](N)C(=O)O CNP0190763.1 [0,1,0,0,0,1|0,0,0]=2 694 B9R0.57 C[Se](=O)(=O)C[C@H](N)C(=O)O CNP0250364.1 [0,1,0,0,0,1|1,0,1]=4 695 B9R0.57 N[C@@H](CP(=O)(O)O)C(=O)O CNP0302280.1 [0,1,0,0,0,1|2,0,0]=4 696 B9R0.57 N[C@@H](CS(=O)(=O)O)C(=O)O CNP0171540.1 [0,1,0,0,0,1|2,0,0]=4 697 B9R0.57 N[C@@H](C[Se](=O)(=O)O)C(=O)O CNP0178375.1 [0,1,0,0,0,1|2,0,0]=4 698 B9R0.57 N[C@H](CP(=O)(O)O)C(=O)O CNP0302280.2 [0,1,0,0,0,1|2,0,0]=4 699 B9R0.57 N[C@H](CS(=O)(=O)O)C(=O)O CNP0171540.2 [0,1,0,0,0,1|2,0,0]=4 700 B9R0.57 [2H]C([2H])([2H])C[C@H](N)C(=O)O CNP0243222.2 [0,1,0,0,0,1|2,0,0]=4 701 B9R0.79 CC(=O)[C@@H](C)[C@H](N)C(=O)O CNP0368722.1 [0,1,0,0,0,1|0,0,2]=4 702 B9R0.79 CC(C)C(C)C(C)C(=O)O CNP0612187.0 [0,1,0,0,0,1|2,0,0]=4 703 B9R0.79 CC(C)[C@@H](O)[C@H](N)C(=O)O CNP0145515.1 [0,1,0,0,0,1|1,0,0]=3 704 B9R0.79 CC(C)[C@H](O)[C@H](N)C(=O)O CNP0145515.2 [0,1,0,0,0,1|1,0,0]=3 705 B9R0.79 CC(O)[C@H](C)[C@H](N)C(=O)O CNP0207254.1 [0,1,0,0,0,1|0,0,0]=2 706 B9R0.79 C[C@@H](C(=O)O)[C@H](N)C(=O)O CNP0165783.3 [0,1,0,0,0,1|1,0,1]=4 707 B9R0.79 C[C@@H](O)[C@@H](O)[C@@H](O)C(=O)O CNP0145272.1 [0,1,0,0,0,1|1,0,0]=3 708 B9R0.79 C[C@@H]([C@@H](C)O)[C@@H](N)C(=O)O CNP0207254.6 [0,1,0,0,0,1|0,0,0]=2 709 B9R0.79 C[C@@H]([C@H](C)O)[C@@H](N)C(=O)O CNP0207254.7 [0,1,0,0,0,1|0,0,0]=2 710 B9R0.79 C[C@@H]([C@H](C)O)[C@H](N)C(=O)O CNP0207254.3 [0,1,0,0,0,1|0,0,0]=2 711 B9R0.79 C[C@@H]([C@H](N)C(=O)O)[C@@H](C)O CNP0207254.4 [0,1,0,0,0,1|0,0,0]=2 712 B9R0.79 C[C@H](C(=O)O)[C@@H](N)C(=O)O CNP0165783.1 [0,1,0,0,0,1|1,0,1]=4 713 B9R0.79 C[C@H](C(=O)O)[C@H](N)C(=O)O CNP0165783.2 [0,1,0,0,0,1|1,0,1]=4 714 B9R0.79 C[C@H]([C@@H](C)O)[C@@H](N)C(=O)O CNP0207254.5 [0,1,0,0,0,1|0,0,0]=2 715 B9R0.79 C[C@H]([C@H](N)C(=O)O)[C@@H](C)O CNP0207254.2 [0,1,0,0,0,1|0,0,0]=2 716 B9R0.79 N[C@@H](C(=O)O)[C@@H](O)C(=O)O CNP0233335.3 [0,1,0,0,0,1|1,0,1]=4 717 B9R0.79 N[C@@H](C(=O)O)[C@H](O)C(=O)O CNP0233335.4 [0,1,0,0,0,1|1,0,1]=4 718 B9R0.79 N[C@H](C(=O)O)[C@@H](O)C(=O)O CNP0233335.2 [0,1,0,0,0,1|1,0,1]=4 719 B9R0.79 N[C@H](C(=O)O)[C@H](N)C(=O)O CNP0266358.1 [0,1,0,0,0,1|1,0,1]=4 720 B9R0.79 N[C@H](C(=O)O)[C@H](O)C(=O)O CNP0233335.1 [0,1,0,0,0,1|1,0,1]=4 721 B9R0.6 C=C(C(=O)OCC)[C@@H](C)O CNP0184419.1 [0,2,0,0,0,0|1,0,1]=4 722 B9R0.6 C=C(CCC)[C@H](N)C(=O)O CNP0264403.1 [0,2,0,0,0,0|1,0,1]=4 723 B9R0.6 CC#C[C@@H](O)[C@H](N)C(=O)O CNP0185088.1 [0,2,0,0,0,0|0,0,0]=2 724 B9R0.6 CC#C[C@H](O)[C@H](N)C(=O)O CNP0185088.2 [0,2,0,0,0,0|0,0,0]=2 725 B9R0.6 CCC[C@@H](C)[C@H](N)C(=O)O CNP0381888.1 [0,2,0,0,0,0|1,0,0]=3 726 B9R0.6 CCC[C@H](C)[C@H](N)C(=O)O CNP0381888.2 [0,2,0,0,0,0|1,0,0]=3 727 B9R0.6 CCOC(=O)C(C)C(C)S CNP0164740.0 [0,2,0,0,0,0|1,1,0]=4 728 B9R0.6 CCOC(=O)[C@@H](N)C(C)C CNP0535653.1 [0,2,0,0,0,0|1,0,0]=3 729 B9R0.6 CCOC(=O)[C@H](O)C(C)C CNP0170066.1 [0,2,0,0,0,0|2,0,0]=4 730 B9R0.6 C[C@@H](O)[C@@H](O)[C@@H](O)CC=O CNP0169464.3 [0,2,0,0,0,0|1,0,1]=4 731 B9R0.6 C[C@@H](O)[C@@H](O)[C@H](O)CC=O CNP0169464.2 [0,2,0,0,0,0|1,0,1]=4 732 B9R0.6 C[C@@H](O)[C@H](O)[C@@H](O)CC=O CNP0169464.1 [0,2,0,0,0,0|1,0,1]=4 733 B9R0.6 NCC[C@@H](O)[C@@H](N)C(=O)O CNP0172709.2 [0,2,0,0,0,0|0,0,0]=2 734 B9R0.6 NCC[C@H](O)[C@@H](N)C(=O)O CNP0172709.1 [0,2,0,0,0,0|0,0,0]=2 735 B9R0.25 CC[C@@H](C)[C@@H](N)P(=O)(O)O CNP0066910.1 [0,2,0,0,0,0|2,0,0]=4 736 B9R0.25 CNC(=O)[C@@H](N)C(C)(C)C CNP0530143.1 [0,2,0,0,0,0|2,0,0]=4 737 B9R0.25 COC(=O)[C@@H](N)C(C)(C)C CNP0202809.1 [0,2,0,0,0,0|1,0,0]=3 738 B9R0.27 C=C(C(=O)OC)[C@@H](O)CO CNP0233477.1 [0,2,0,0,0,0|1,0,1]=4 739 B9R0.27 C=C(C(=O)OC)[C@H](O)CO CNP0233477.2 [0,2,0,0,0,0|1,0,1]=4 740 B9R0.27 CCC(=O)[C@@H](C)[C@@H](O)CC CNP0412913.2 [0,2,0,0,0,0|2,0,0]=4 741 B9R0.27 CCC(=O)[C@H](C)[C@H](O)CC CNP0412913.1 [0,2,0,0,0,0|2,0,0]=4 742 B9R0.27 CC[C@@H](O)[C@@H](C)C(=O)OC CNP0229138.1 [0,2,0,0,0,0|1,0,0]=3 743 B9R0.27 CC[C@H](C)[C@H](N)C(=O)OC CNP0385653.2 [0,2,0,0,0,0|1,0,0]=3 744 B9R0.27 CC[C@H](C)[C@H](O)C(=O)OC CNP0192892.1 [0,2,0,0,0,0|2,0,0]=4 745 B9R0.27 O=C(CO)[C@@H](O)[C@@H](O)CO CNP0266174.1 [0,2,0,0,0,0|1,0,0]=3 746 B9R0.27 O=C(CO)[C@@H](O)[C@H](O)CO CNP0266174.4 [0,2,0,0,0,0|1,0,0]=3 747 B9R0.27 O=C(CO)[C@H](O)[C@@H](O)CO CNP0266174.2 [0,2,0,0,0,0|1,0,0]=3 748 B9R0.27 O=C(CO)[C@H](O)[C@H](O)CO CNP0266174.3 [0,2,0,0,0,0|1,0,0]=3 749 B9R0.27 O=CC(=O)[C@@H](O)[C@H](O)CO CNP0262990.1 [0,2,0,0,0,0|1,0,1]=4 750 B9R0.27 O=C[C@@H](O)[C@@H](O)[C@@H](O)CO CNP0260454.4 [0,2,0,0,0,0|1,0,1]=4 751 B9R0.27 O=C[C@@H](O)[C@@H](O)[C@H](O)CO CNP0260454.6 [0,2,0,0,0,0|1,0,1]=4 752 B9R0.27 O=C[C@@H](O)[C@H](O)[C@@H](O)CO CNP0260454.8 [0,2,0,0,0,0|1,0,1]=4 753 B9R0.27 O=C[C@@H](O)[C@H](O)[C@H](O)CO CNP0260454.1 [0,2,0,0,0,0|1,0,1]=4 754 B9R0.27 O=C[C@H](O)[C@@H](O)[C@@H](O)CO CNP0260454.2 [0,2,0,0,0,0|1,0,1]=4 755 B9R0.27 O=C[C@H](O)[C@@H](O)[C@H](O)CO CNP0260454.3 [0,2,0,0,0,0|1,0,1]=4 756 B9R0.27 O=C[C@H](O)[C@H](O)[C@@H](O)CO CNP0260454.7 [0,2,0,0,0,0|1,0,1]=4 757 B9R0.27 O=C[C@H](O)[C@H](O)[C@H](O)CO CNP0260454.5 [0,2,0,0,0,0|1,0,1]=4 758 B9R0.28 C[C@@](O)(C(=O)O)[C@H](O)CO CNP0198726.1 [0,2,0,0,0,0|1,0,0]=3 759 B9R0.28 C[C@](O)(C(=O)O)[C@@H](O)CO CNP0198726.3 [0,2,0,0,0,0|1,0,0]=3 760 B9R0.28 C[C@](O)(C(=O)O)[C@H](O)CO CNP0198726.2 [0,2,0,0,0,0|1,0,0]=3 761 B9R0.29 CC[C@@H](C)[C@@H](NC)C(=O)O CNP0218334.2 [0,2,0,0,0,0|1,0,0]=3 762 B9R0.29 CC[C@@H](C)[C@H](NC)C(=O)O CNP0218334.4 [0,2,0,0,0,0|1,0,0]=3 763 B9R0.29 CC[C@@H](O)[C@H](NC)C(=O)O CNP0169081.1 [0,2,0,0,0,0|0,0,0]=2 764 B9R0.29 CC[C@H](C)[C@@H](NC)C(=O)O CNP0218334.1 [0,2,0,0,0,0|1,0,0]=3 765 B9R0.29 CC[C@H](C)[C@H](NC)C(=O)O CNP0218334.3 [0,2,0,0,0,0|1,0,0]=3 766 B9R0.29 CN[C@H](C(=O)OC)C(C)C CNP0088244.1 [0,2,0,0,0,0|1,0,0]=3 767 B9R0.32 CC(C)(CO)C(=O)C(=O)O CNP0358941.0 [0,2,0,0,0,0|1,0,1]=4 768 B9R0.32 CC(C)(CO)[C@@H](O)C(=O)O CNP0159031.1 [0,2,0,0,0,0|1,0,0]=3 769 B9R0.32 CC(C)(CO)[C@H](N)C(=O)O CNP0161879.1 [0,2,0,0,0,0|0,0,0]=2 770 B9R0.32 CC(C)(CO)[C@H](O)C(=O)O CNP0159031.2 [0,2,0,0,0,0|1,0,0]=3 771 B9R0.32 CCC(C)(O)C(=O)C(=O)O CNP0044065.0 [0,2,0,0,0,0|1,0,1]=4 772 B9R0.32 CC[C@@](C)(O)[C@@H](O)C(=O)O CNP0207481.1 [0,2,0,0,0,0|1,0,0]=3 773 B9R0.32 CC[C@](C)(O)[C@@H](O)C(=O)O CNP0207481.2 [0,2,0,0,0,0|1,0,0]=3 774 B9R0.32 COC(C)(C)[C@H](N)C(=O)O CNP0302352.1 [0,2,0,0,0,0|0,0,0]=2 775 B9R0.41 C/C=C(/CO)\[C@H](N)C(=O)O CNP0139832.2 [0,2,0,0,0,0|0,0,1]=3 776 B9R0.41 C/C=C(\C=O)/[C@H](N)C(=O)O CNP0144091.1 [0,2,0,0,0,0|0,0,2]=4 777 B9R0.41 C/C=C(\CO)/[C@H](N)C(=O)O CNP0139832.1 [0,2,0,0,0,0|0,0,1]=3 778 B9R0.41 CCC(CC)[C@@H](N)C(=O)O CNP0494081.2 [0,2,0,0,0,0|1,0,0]=3 779 B9R0.41 CCC(CC)[C@H](N)C(=O)O CNP0494081.1 [0,2,0,0,0,0|1,0,0]=3 780 B9R0.33 CCCC(C(=O)O)C(C)C CNP0499654.0 [0,2,0,0,0,0|2,0,0]=4 781 B9R0.54 CC(C)[C@@H](C(=O)O)N(C)C CNP0604371.2 [0,2,0,0,0,0|1,0,0]=3 782 B9R0.54 CC(C)[C@H](C(=O)O)N(C)C CNP0604371.1 [0,2,0,0,0,0|1,0,0]=3 783 B9R0.76 CC[C@@](O)(C(=O)O)[C@H](C)O CNP0272140.1 [0,2,0,0,0,0|1,0,0]=3 784 B9R0.80 CC(C)(O)C(C)(C)C(=O)O CNP0464078.0 [0,2,0,0,0,0|1,0,0]=3 785 B9R0.80 [2H]C([2H])([2H])[C@]([2H])(N)C(=O)O CNP0313085.3 [0,2,0,0,0,0|2,0,0]=4 786 B7R1.2 CC1CCC(=O)C1 CNP0601005.0 [1,0,0,1,0,0|2,0,0]=4 787 B7R1.2 CC1CNC(=O)C1 CNP0609130.0 [1,0,0,1,0,0|2,0,0]=4 788 B7R1.2 CC1COC(=O)O1 CNP0609065.0 [1,0,0,1,0,0|2,0,0]=4 789 B7R1.2 C[C@@H]1COC(=O)C1 CNP0323281.1 [1,0,0,1,0,0|1,0,0]=3 790 B7R1.2 C[C@H]1COC(=O)C1 CNP0323281.2 [1,0,0,1,0,0|1,0,0]=3 791 B7R1.2 O=C1C=C(CO1)O CNP0181857.0 [1,0,0,1,0,0|0,0,2]=4 792 B7R1.2 O=C1C=CC(C1)O CNP0594515.0 [1,0,0,1,0,0|1,0,1]=4 793 B7R1.2 O=C1CC[C@@H](N1)O CNP0286097.2 [1,0,0,1,0,0|2,0,0]=4 794 B7R1.2 O=C1CC[C@H](N1)O CNP0286097.1 [1,0,0,1,0,0|2,0,0]=4 795 B7R1.2 O=C1C[C@@H](CN1)O CNP0188830.1 [1,0,0,1,0,0|1,0,0]=3 796 B7R1.2 O=C1C[C@@H](CO1)O CNP0174638.1 [1,0,0,1,0,0|0,0,0]=2 797 B7R1.2 O=C1C[C@H](CN1)O CNP0188830.2 [1,0,0,1,0,0|1,0,0]=3 798 B7R1.2 O=C1C[C@H](CO1)O CNP0174638.2 [1,0,0,1,0,0|0,0,0]=2 799 B7R1.2 OC1=NC(CC1)O CNP0547002.0 [1,0,0,1,0,0|2,0,0]=4 800 B7R1.12 CC1=N[C@H]1C(=O)O CNP0318344.1 [1,0,0,1,0,0|1,0,1]=4 801 B7R1.4 C=C1CCOC1=O CNP0195400.0 [1,0,0,1,0,0|1,0,1]=4 802 B7R1.4 CC1COCC1=O CNP0611227.0 [1,0,0,1,0,0|2,0,0]=4 803 B7R1.4 C[C@@H]1CCCC1=O CNP0165073.2 [1,0,0,1,0,0|2,0,0]=4 804 B7R1.4 C[C@@H]1CCOC1=O CNP0290908.1 [1,0,0,1,0,0|1,0,0]=3 805 B7R1.4 C[C@H]1CCCC1=O CNP0165073.1 [1,0,0,1,0,0|2,0,0]=4 806 B7R1.4 C[C@H]1CCOC1=O CNP0290908.2 [1,0,0,1,0,0|1,0,0]=3 807 B7R1.4 N[C@@H]1CCOC1=O CNP0258027.3 [1,0,0,1,0,0|0,0,0]=2 808 B7R1.4 N[C@@H]1CON=C1O CNP0535940.1 [1,0,0,1,0,0|1,0,0]=3 809 B7R1.4 N[C@@H]1CONC1=O CNP0204572.1 [1,0,0,1,0,0|1,0,0]=3 810 B7R1.4 N[C@@H]1CSC[C@@H]1O CNP0364292.4 [1,0,0,1,0,0|0,1,1]=4 811 B7R1.4 N[C@@H]1CSC[C@H]1O CNP0364292.3 [1,0,0,1,0,0|0,1,1]=4 812 B7R1.4 N[C@H]1CCOC1=O CNP0258027.2 [1,0,0,1,0,0|0,0,0]=2 813 B7R1.4 N[C@H]1CCSC1=O CNP0082695.1 [1,0,0,1,0,0|0,1,0]=3 814 B7R1.4 N[C@H]1CONC1=O CNP0204572.2 [1,0,0,1,0,0|1,0,0]=3 815 B7R1.4 O=C1COCC1S CNP0188638.0 [1,0,0,1,0,0|2,0,0]=4 816 B7R1.4 O=C1NCC[C@H]1O CNP0289134.1 [1,0,0,1,0,0|2,0,0]=4 817 B7R1.4 O[C@@H]1COC[C@@H]1O CNP0326371.1 [1,0,0,1,0,0|1,0,1]=4 818 B7R1.4 O[C@@H]1COC[C@H]1O CNP0326371.2 [1,0,0,1,0,0|1,0,1]=4 819 B7R1.4 O[C@H]1COC[C@@H]1O CNP0326371.3 [1,0,0,1,0,0|1,0,1]=4 820 B7R1.15 C[C@@H]1OC(=O)[C@@H]1N CNP0339409.1 [1,0,0,1,0,0|0,0,0]=2 821 B7R1.18 CC(=O)C1CCS1 CNP0002501.0 [1,0,0,1,0,0|2,0,0]=4 822 B7R1.18 O=C(O)[C@@H]1CCN1 CNP0146840.1 [1,0,0,1,0,0|0,0,0]=2 823 B7R1.18 O=C(O)[C@H]1CCN1 CNP0146840.2 [1,0,0,1,0,0|0,0,0]=2 824 B7R1.19 NC1(CC1)C(=O)O CNP0418127.0 [1,0,0,1,0,0|0,0,0]=2 825 B9R1.35 C=C1CN[C@@H](C1)C(=O)O CNP0129075.1 [0,0,0,1,0,1|1,0,1]=4 826 B9R1.35 CC(O)C1COC(=O)C1 CNP0564312.0 [0,0,0,1,0,1|1,0,0]=3 827 B9R1.35 C[C@@H](O)[C@@H]1CCC(=O)O1 CNP0205569.1 [0,0,0,1,0,1|2,0,0]=4 828 B9R1.35 C[C@@H](O)[C@H]1C=CC(=O)O1 CNP0131918.2 [0,0,0,1,0,1|2,0,0]=4 829 B9R1.35 C[C@@H]1CC[C@@H](C1)C(=O)O CNP0315118.1 [0,0,0,1,0,1|2,0,0]=4 830 B9R1.35 C[C@@H]1CN[C@@H](C1)C(=O)O CNP0293874.4 [0,0,0,1,0,1|1,0,0]=3 831 B9R1.35 C[C@@H]1CN[C@H](C1)C(=O)O CNP0293874.2 [0,0,0,1,0,1|1,0,0]=3 832 B9R1.35 C[C@H](O)[C@H]1C=CC(=O)O1 CNP0131918.1 [0,0,0,1,0,1|2,0,0]=4 833 B9R1.35 C[C@H](O)[C@H]1CCC(=O)O1 CNP0205569.2 [0,0,0,1,0,1|2,0,0]=4 834 B9R1.35 C[C@H]1CC[C@H](N1)C(=O)O CNP0140199.1 [0,0,0,1,0,1|2,0,0]=4 835 B9R1.35 C[C@H]1CN[C@@H](C1)C(=O)O CNP0293874.3 [0,0,0,1,0,1|1,0,0]=3 836 B9R1.35 C[C@H]1CN[C@H](C1)C(=O)O CNP0293874.1 [0,0,0,1,0,1|1,0,0]=3 837 B9R1.35 NC1CCC(C1)C(=O)O CNP0035427.0 [0,0,0,1,0,1|2,0,0]=4 838 B9R1.35 N[C@H]1CN[C@@H](C1)C(=O)O CNP0274679.1 [0,0,0,1,0,1|1,0,0]=3 839 B9R1.35 O=C(O)C1=NCC(C1)O CNP0083616.0 [0,0,0,1,0,1|0,0,2]=4 840 B9R1.35 O=C(O)[C@@H]1CC(CN1)O CNP0368925.2 [0,0,0,1,0,1|0,0,0]=2 841 B9R1.35 O=C(O)[C@@H]1CCC(=N1)O CNP0546413.2 [0,0,0,1,0,1|1,0,1]=4 842 B9R1.35 O=C(O)[C@@H]1C[C@@H](CN1)O CNP0368925.3 [0,0,0,1,0,1|0,0,0]=2 843 B9R1.35 O=C(O)[C@@H]1C[C@H](C=N1)O CNP0313115.1 [0,0,0,1,0,1|0,0,2]=4 844 B9R1.35 O=C(O)[C@@H]1C[C@H](CN1)O CNP0368925.1 [0,0,0,1,0,1|0,0,0]=2 845 B9R1.35 O=C(O)[C@H]1CCC(=N1)O CNP0546413.1 [0,0,0,1,0,1|1,0,1]=4 846 B9R1.35 O=C(O)[C@H]1C[C@@H](C=N1)O CNP0313115.2 [0,0,0,1,0,1|0,0,2]=4 847 B9R1.35 O=C(O)[C@H]1C[C@@H](CN1)O CNP0368925.5 [0,0,0,1,0,1|0,0,0]=2 848 B9R1.35 O=C(O)[C@H]1C[C@H](CN1)O CNP0368925.4 [0,0,0,1,0,1|0,0,0]=2 849 B9R1.35 O=C1CNC(C1)C(=O)O CNP0124683.0 [0,0,0,1,0,1|0,0,2]=4 850 B9R1.36 CC1=C[C@@](OC1=O)(C)O CNP0149675.1 [0,0,0,1,0,1|1,0,1]=4 851 B9R1.38 CC1(OC(=O)C[C@H]1O)C CNP0199015.1 [0,0,0,1,0,1|2,0,0]=4 852 B9R1.45 C=C1C[C@@H]1[C@H](N)C(=O)O CNP0108451.1 [0,0,0,1,0,1|1,0,1]=4 853 B9R1.45 C=C1C[C@H]1[C@@H](N)C(=O)O CNP0108451.2 [0,0,0,1,0,1|1,0,1]=4 854 B9R1.45 C=C1C[C@H]1[C@H](N)C(=O)O CNP0108451.3 [0,0,0,1,0,1|1,0,1]=4 855 B9R1.69 CC1=CC(=O)OCC1O CNP0356511.0 [0,0,0,1,0,1|1,0,1]=4 856 B9R1.69 CC1CC(=O)OCC1O CNP0415088.0 [0,0,0,1,0,1|1,0,0]=3 857 B9R1.69 C[C@H]1O[C@@H](CCC1=O)O CNP0334218.1 [0,0,0,1,0,1|2,0,0]=4 858 B9R1.69 O=C1C[C@H]([C@H](CO1)O)O CNP0254942.1 [0,0,0,1,0,1|1,0,0]=3 859 B9R1.112 C[C@H](NC1CC1)C(=O)O CNP0492619.1 [0,0,0,1,0,1|2,0,0]=4 860 B9R1.112 N[C@@H](CC1CC1)C(=O)O CNP0115257.1 [0,0,0,1,0,1|1,0,0]=3 861 B9R1.112 N[C@@H](C[C@H]1CO1)C(=O)O CNP0511777.1 [0,0,0,1,0,1|0,0,0]=2 862 B9R1.161 O=C(O)[C@H]1N[C@@H]1C(=O)O CNP0156205.1 [0,0,0,1,0,1|1,0,1]=4 863 B9R1.161 O=C(O)[C@H]1N[C@H]1C(=O)O CNP0156205.2 [0,0,0,1,0,1|1,0,1]=4 864 B9R1.3 O=C1NCC[C@@H]([C@@H]1Cl)O CNP0556775.3 [0,1,0,1,0,0|2,0,0]=4 865 B9R1.3 O=C1NCC[C@@H]([C@H]1Cl)O CNP0556775.4 [0,1,0,1,0,0|2,0,0]=4 866 B9R1.3 O=C1NCC[C@@H]([C@H]1O)O CNP0519609.1 [0,1,0,1,0,0|2,0,0]=4 867 B9R1.3 O=C1NCC[C@H]([C@@H]1Cl)O CNP0556775.2 [0,1,0,1,0,0|2,0,0]=4 868 B9R1.3 O=C1NCC[C@H]([C@H]1Cl)O CNP0556775.1 [0,1,0,1,0,0|2,0,0]=4 869 B9R1.3 OC1=NCC[C@@H]([C@H]1O)O CNP0125833.1 [0,1,0,1,0,0|2,0,0]=4 870 B9R1.37 C=C1C(=O)O[C@H]([C@@H]1O)C CNP0480925.1 [0,1,0,1,0,0|1,0,1]=4 871 B9R1.37 CC1=C(C(=O)O[C@@H]1C)O CNP0413738.1 [0,1,0,1,0,0|1,0,1]=4 872 B9R1.37 CC1=C(C(=O)O[C@H]1C)O CNP0413738.2 [0,1,0,1,0,0|1,0,1]=4 873 B9R1.37 CC1=CC(=O)[C@H]([C@@H]1O)O CNP0355647.1 [0,1,0,1,0,0|2,0,0]=4 874 B9R1.37 C[C@@H]1CC(=O)[C@@H]([C@H]1O)O CNP0411690.1 [0,1,0,1,0,0|2,0,0]=4 875 B9R1.37 C[C@@H]1OC(=O)C(C1O)O CNP0227310.1 [0,1,0,1,0,0|1,0,0]=3 876 B9R1.37 C[C@@H]1OC(=O)[C@@H]([C@H]1O)O CNP0227310.2 [0,1,0,1,0,0|1,0,0]=3 877 B9R1.37 C[C@H]1[C@@H](C(=O)O[C@@H]1C)N CNP0418917.1 [0,1,0,1,0,0|1,0,0]=3 878 B9R1.41 C[C@@H]1C=CN[C@H]1C(=O)O CNP0506561.1 [0,1,0,1,0,0|1,0,0]=3 879 B9R1.41 C[C@@H]1CCC[C@H]1C(=O)O CNP0302447.1 [0,1,0,1,0,0|2,0,0]=4 880 B9R1.41 C[C@H]1CCC[C@@H]1C(=O)O CNP0302447.2 [0,1,0,1,0,0|2,0,0]=4 881 B9R1.41 N[C@@H]1CCC[C@H]1C(=O)O CNP0179700.2 [0,1,0,1,0,0|2,0,0]=4 882 B9R1.41 N[C@@H]1CCN[C@@H]1C(=O)O CNP0238258.3 [0,1,0,1,0,0|1,0,0]=3 883 B9R1.41 N[C@@H]1CCN[C@H]1C(=O)O CNP0238258.2 [0,1,0,1,0,0|1,0,0]=3 884 B9R1.41 N[C@H]1CCC[C@H]1C(=O)O CNP0179700.1 [0,1,0,1,0,0|2,0,0]=4 885 B9R1.41 N[C@H]1CCN[C@H]1C(=O)O CNP0238258.1 [0,1,0,1,0,0|1,0,0]=3 886 B9R1.41 O=C(O)[C@@H]1CCCN1O CNP0236003.2 [0,1,0,1,0,0|2,0,0]=4 887 B9R1.41 O=C(O)[C@@H]1NCC[C@@H]1O CNP0193079.1 [0,1,0,1,0,0|0,0,0]=2 888 B9R1.41 O=C(O)[C@@H]1NCC[C@H]1O CNP0193079.3 [0,1,0,1,0,0|0,0,0]=2 889 B9R1.41 O=C(O)[C@H]1CCCN1O CNP0236003.1 [0,1,0,1,0,0|2,0,0]=4 890 B9R1.41 O=C(O)[C@H]1NCC[C@@H]1O CNP0193079.2 [0,1,0,1,0,0|0,0,0]=2 891 B9R1.41 O=C(O)[C@H]1NCC[C@H]1O CNP0193079.4 [0,1,0,1,0,0|0,0,0]=2 892 B9R1.93 CC[C@@H]1C[C@@]1(N)C(=O)O CNP0294977.4 [0,1,0,1,0,0|1,0,0]=3 893 B9R1.93 CC[C@@H]1C[C@]1(N)C(=O)O CNP0294977.3 [0,1,0,1,0,0|1,0,0]=3 894 B9R1.93 CC[C@H]1C[C@@]1(N)C(=O)O CNP0294977.1 [0,1,0,1,0,0|1,0,0]=3 895 B9R1.93 CC[C@H]1C[C@]1(N)C(=O)O CNP0294977.2 [0,1,0,1,0,0|1,0,0]=3 896 B9R1.96 C/C=C/1\CN[C@@H]1C(=O)O CNP0331255.2 [0,1,0,1,0,0|1,0,1]=4 897 B9R1.96 C/C=C\1/CN[C@@H]1C(=O)O CNP0331255.1 [0,1,0,1,0,0|1,0,1]=4 898 B9R1.111 CC1(CC1)[C@H](N)C(=O)O CNP0197750.1 [0,1,0,1,0,0|1,0,0]=3 899 B9R1.111 N[C@H](C(=O)O)C1(CC1)O CNP0161832.1 [0,1,0,1,0,0|0,0,0]=2 900 B9R1.138 CC1(COC(=O)[C@@H]1O)C CNP0187947.1 [0,1,0,1,0,0|2,0,0]=4 901 B9R1.138 CC1(COC(=O)[C@H]1O)C CNP0187947.2 [0,1,0,1,0,0|2,0,0]=4 902 B9R1.185 COC(=O)[C@H]1NC1(C)C CNP0183519.1 [0,1,0,1,0,0|1,0,0]=3 903 B9R1.106 C[C@@]1(C(=O)OC[C@H]1O)O CNP0303953.1 [0,1,0,1,0,0|1,0,0]=3 904 B9R1.106 C[C@]1(C(=O)OC[C@@H]1O)O CNP0303953.3 [0,1,0,1,0,0|1,0,0]=3 905 B9R1.106 C[C@]1(C(=O)OC[C@H]1O)O CNP0303953.2 [0,1,0,1,0,0|1,0,0]=3 906 B9R1.165 C[C@@](N)(C(=O)O)C1CC1 CNP0588096.1 [0,1,0,1,0,0|1,0,0]=3 907 B9R1.165 C[C@](N)(C(=O)O)C1CC1 CNP0588096.2 [0,1,0,1,0,0|1,0,0]=3 908 B9R2.150 O=C(O)[C@H]1N[C@H]2[C@@H]1C2 CNP0249310.1 [0,0,0,2,0,0|1,0,0]=3 909 B7R0.6 CC(=CCC(=O)O)C CNP0178388.0 [1,0,0,0,0,1|1,0,1]=4 910 B7R0.6 CC(=O)CCC(=O)O CNP0267906.0 [1,0,0,0,0,1|0,0,2]=4 911 B7R0.6 CC(=O)CCC(C)C CNP0109911.0 [1,0,0,0,0,1|2,0,0]=4 912 B7R0.6 CC(=O)COC(C)C CNP0500658.0 [1,0,0,0,0,1|2,0,0]=4 913 B7R0.6 CC(=O)NCC(=O)O CNP0232085.0 [1,0,0,0,0,1|0,0,2]=4 914 B7R0.6 CC(=O)NCC(C)C CNP0330824.0 [1,0,0,0,0,1|2,0,0]=4 915 B7R0.6 CC(=O)OCC(C)C CNP0233943.0 [1,0,0,0,0,1|2,0,0]=4 916 B7R0.6 CC(C)C=CC(=O)O CNP0205254.0 [1,0,0,0,0,1|1,0,1]=4 917 B7R0.6 CC(C)CCC(=O)Cl CNP0308408.0 [1,0,0,0,0,1|2,0,0]=4 918 B7R0.6 CC(C)CCC(=O)N CNP0148296.0 [1,0,0,0,0,1|2,0,0]=4 919 B7R0.6 CC(C)CCC(=O)O CNP0414918.0 [1,0,0,0,0,1|1,0,0]=3 920 B7R0.6 CS(C)CCC(=O)O CNP0168459.0 [1,0,0,0,0,1|2,0,0]=4 921 B7R0.6 C[C@H](O)CCC(=O)O CNP0154959.1 [1,0,0,0,0,1|0,0,0]=2 922 B7R0.6 C[S+](C)CCC(=O)O CNP0349807.0 [1,0,0,0,0,1|2,0,0]=4 923 B7R0.6 C[S+](C)CCC(=O)O CNP0550706.0 [1,0,0,0,0,1|2,0,0]=4 924 B7R0.6 C[S@+]([O-])CCC(=O)O CNP0497394.1 [1,0,0,0,0,1|1,0,1]=4 925 B7R0.6 C[S](C)CCC(=O)O CNP0603322.0 [1,0,0,0,0,1|2,0,0]=4 926 B7R0.6 O=C(O)CCC(=O)O CNP0332012.0 [1,0,0,0,0,1|1,0,1]=4 927 B7R0.6 O=C(O)CNC(=O)O CNP0611653.0 [1,0,0,0,0,1|1,0,1]=4 928 B9R0.7 C/C(=C/C[C@H](N)C(=O)O)/Cl CNP0126752.1 [0,0,0,0,0,2|1,0,1]=4 929 B9R0.7 C=C(C)CC[C@H](N)C(=O)O CNP0300764.1 [0,0,0,0,0,2|1,0,1]=4 930 B9R0.7 CC(=CC[C@H](N)C(=O)O)C CNP0216742.1 [0,0,0,0,0,2|1,0,1]=4 931 B9R0.7 CC(=O)CC[C@H](N)C(=O)O CNP0029013.1 [0,0,0,0,0,2|0,0,2]=4 932 B9R0.7 CC(=O)NC[C@H](N)C(=O)O CNP0222847.1 [0,0,0,0,0,2|0,0,2]=4 933 B9R0.7 CC(=O)OC[C@H](N)C(=O)O CNP0343242.1 [0,0,0,0,0,2|0,0,2]=4 934 B9R0.7 CC(=O)SC[C@H](N)C(=O)O CNP0549128.1 [0,0,0,0,0,2|0,0,2]=4 935 B9R0.7 CC(C)CC[C@H](N)C(=O)O CNP0116555.1 [0,0,0,0,0,2|1,0,0]=3 936 B9R0.7 CC(C)OCC(N)C(=O)O CNP0593258.0 [0,0,0,0,0,2|1,0,0]=3 937 B9R0.7 CC(C)[C@@H](O)C#CC(=O)O CNP0442900.2 [0,0,0,0,0,2|2,0,0]=4 938 B9R0.7 CC(C)[C@H](O)C#CC(=O)O CNP0442900.1 [0,0,0,0,0,2|2,0,0]=4 939 B9R0.7 CC(N)CCC(N)C(=O)O CNP0515846.0 [0,0,0,0,0,2|1,0,0]=3 940 B9R0.7 CC(O)CC[C@H](N)C(=O)O CNP0295098.1 [0,0,0,0,0,2|0,0,0]=2 941 B9R0.7 CS(C)CC[C@@H](N)C(=O)O CNP0216869.1 [0,0,0,0,0,2|2,0,0]=4 942 B9R0.7 C[As](C)SC[C@H](N)C(=O)O CNP0580448.1 [0,0,0,0,0,2|2,0,0]=4 943 B9R0.7 C[C@@H](O)C(=O)CCC(=O)O CNP0134105.1 [0,0,0,0,0,2|1,0,1]=4 944 B9R0.7 C[C@H](O)CC[C@H](N)C(=O)O CNP0295098.2 [0,0,0,0,0,2|0,0,0]=2 945 B9R0.7 C[C@H](O)[C@@H](O)/C=C/C(=O)O CNP0206491.1 [0,0,0,0,0,2|1,0,0]=3 946 B9R0.7 C[S+](C)CC[C@H](N)C(=O)O CNP0085930.1 [0,0,0,0,0,2|2,0,0]=4 947 B9R0.7 C[S+](C)CC[C@H](N)C(=O)O CNP0085930.2 [0,0,0,0,0,2|2,0,0]=4 948 B9R0.7 C[S+]([O-])CC[C@H](N)C(=O)O CNP0526656.2 [0,0,0,0,0,2|1,0,1]=4 949 B9R0.7 C[S@+]([O-])CC[C@@H](N)C(=O)O CNP0526656.5 [0,0,0,0,0,2|1,0,1]=4 950 B9R0.7 C[S@+]([O-])CC[C@H](N)C(=O)O CNP0526656.3 [0,0,0,0,0,2|1,0,1]=4 951 B9R0.7 C[S@@+]([O-])/C=C/[C@H](N)C(=O)O CNP0576276.1 [0,0,0,0,0,2|1,0,1]=4 952 B9R0.7 C[S@@+]([O-])CC[C@@H](N)C(=O)O CNP0526656.4 [0,0,0,0,0,2|1,0,1]=4 953 B9R0.7 C[S@@+]([O-])CC[C@H](N)C(=O)O CNP0526656.1 [0,0,0,0,0,2|1,0,1]=4 954 B9R0.7 C[S@H+]([O-])CC[C@@H](N)C(=O)O CNP0521175.2 [0,0,0,0,0,2|1,0,1]=4 955 B9R0.7 C[S@H+]([O-])CC[C@H](N)C(=O)O CNP0521175.1 [0,0,0,0,0,2|1,0,1]=4 956 B9R0.7 C[S](C)CC[C@@H](N)C(=O)O CNP0605465.2 [0,0,0,0,0,2|2,0,0]=4 957 B9R0.7 C[S](C)CC[C@H](N)C(=O)O CNP0605465.1 [0,0,0,0,0,2|2,0,0]=4 958 B9R0.7 C[Se+](C)CC[C@@H](N)C(=O)O CNP0360098.1 [0,0,0,0,0,2|2,0,0]=4 959 B9R0.7 C[Se+](C)CC[C@H](N)C(=O)O CNP0360098.2 [0,0,0,0,0,2|2,0,0]=4 960 B9R0.7 C[Se](=O)CC[C@H](N)C(=O)O CNP0028926.1 [0,0,0,0,0,2|1,0,1]=4 961 B9R0.7 NC(CCS(=O)O)C(=O)O CNP0027333.0 [0,0,0,0,0,2|2,0,0]=4 962 B9R0.7 NC(CC[P+](=O)O)C(=O)O CNP0250837.0 [0,0,0,0,0,2|2,0,0]=4 963 B9R0.7 NC(CNC(=O)O)C(=O)O CNP0158277.0 [0,0,0,0,0,2|1,0,1]=4 964 B9R0.7 N[C@@H](CCC(=O)O)C(=O)O CNP0191057.1 [0,0,0,0,0,2|1,0,1]=4 965 B9R0.7 N[C@@H](CCP(=O)O)C(=O)O CNP0424644.2 [0,0,0,0,0,2|2,0,0]=4 966 B9R0.7 N[C@@H](CC[P@@H](=O)O)C(=O)O CNP0424644.1 [0,0,0,0,0,2|2,0,0]=4 967 B9R0.7 N[C@@H](CS[As](O)O)C(=O)O CNP0546239.1 [0,0,0,0,0,2|2,0,0]=4 968 B9R0.7 N[C@H](CCC(=O)O)C(=O)O CNP0191057.2 [0,0,0,0,0,2|1,0,1]=4 969 B9R0.53 CC(C)CC(N)CC(=O)O CNP0415809.0 [0,0,0,0,0,2|1,0,0]=3 970 B9R0.53 CC(C)CC(O)CC(=O)O CNP0002352.0 [0,0,0,0,0,2|2,0,0]=4 971 B9R0.53 C[C@H](N)C[C@H](N)CC(=O)O CNP0118793.1 [0,0,0,0,0,2|1,0,0]=3 972 B9R0.53 NC(CC(=O)O)CC(=O)O CNP0324847.0 [0,0,0,0,0,2|1,0,1]=4