0 B7R0.16 C=C(C(=O)O)[C@@H](C)O CNP0180552.2 [0,0,0,0,0,0|2,0,0]=2 1 B7R0.16 C=C(C(=O)O)[C@H](C)O CNP0180552.1 [0,0,0,0,0,0|2,0,0]=2 2 B7R0.16 C=C(C)C(=O)C(C)C CNP0611996.0 [0,0,0,0,0,0|2,0,0]=2 3 B7R0.16 CC(=C(C)C(=O)O)C CNP0298281.0 [0,0,0,0,0,0|1,0,1]=2 4 B7R0.16 CC(=C(O)C(=O)O)C CNP0081972.0 [0,0,0,0,0,0|0,0,2]=2 5 B7R0.16 CC(=O)C(=N)C(=O)O CNP0486933.0 [0,0,0,0,0,0|2,0,1]=3 6 B7R0.16 CC(=O)C(=N)C(=O)[O] CNP0577857.0 [0,0,0,0,0,0|2,0,2]=4 7 B7R0.16 CC(=O)C(=O)C(C)C CNP0264212.0 [0,0,0,0,0,0|1,0,0]=1 8 B7R0.16 CC(=O)C(C)C(=O)O CNP0002342.0 [0,0,0,0,0,0|2,0,2]=4 9 B7R0.16 CC(=O)C(S)C(C)C CNP0012295.0 [0,0,0,0,0,0|1,1,1]=3 10 B7R0.16 CC(=O)N(C)C(C)C CNP0111110.0 [0,0,0,0,0,0|3,0,0]=3 11 B7R0.16 CC(=O)[C@@H](Br)C(C)C CNP0046833.1 [0,0,0,0,0,0|2,0,1]=3 12 B7R0.16 CC(=O)[C@H](Br)C(C)C CNP0046833.2 [0,0,0,0,0,0|2,0,1]=3 13 B7R0.16 CC(=O)[C@H](N)C(=O)O CNP0211201.1 [0,0,0,0,0,0|2,0,2]=4 14 B7R0.16 CC(C)C(=O)C(=O)N CNP0124089.0 [0,0,0,0,0,0|1,0,0]=1 15 B7R0.16 CC(C)C(=O)C(=O)O CNP0207859.0 [0,0,0,0,0,0|0,0,0]=0 16 B7R0.16 CC(C)C(=O)C(C)C CNP0413157.0 [0,0,0,0,0,0|2,0,1]=3 17 B7R0.16 CC(C)C(=O)C(C)O CNP0291790.0 [0,0,0,0,0,0|1,0,1]=2 18 B7R0.16 CC(C)[C@@H](N)C(=O)O CNP0152507.2 [0,0,0,0,0,0|1,0,1]=2 19 B7R0.16 CC(C)[C@@H](O)C(=O)N CNP0311908.1 [0,0,0,0,0,0|1,0,2]=3 20 B7R0.16 CC(C)[C@@H](O)C(=O)O CNP0267024.1 [0,0,0,0,0,0|0,0,2]=2 21 B7R0.16 CC(C)[C@H](N)C(=O)O CNP0152507.1 [0,0,0,0,0,0|1,0,1]=2 22 B7R0.16 CC(C)[C@H](O)C(=O)O CNP0267024.2 [0,0,0,0,0,0|0,0,2]=2 23 B7R0.16 CC(O)C(O)C(=O)N CNP0028681.0 [0,0,0,0,0,0|2,0,2]=4 24 B7R0.16 CN(C)C(=O)C(=O)O CNP0288655.0 [0,0,0,0,0,0|1,0,0]=1 25 B7R0.16 CN(C)C(=O)N(C)C CNP0083044.0 [0,0,0,0,0,0|4,0,0]=4 26 B7R0.16 C[C@@H](Br)[C@@H](Br)C(=O)O CNP0447694.2 [0,0,0,0,0,0|2,0,1]=3 27 B7R0.16 C[C@@H](Br)[C@H](Br)C(=O)O CNP0447694.4 [0,0,0,0,0,0|2,0,1]=3 28 B7R0.16 C[C@@H](C(=O)O)N(C)C CNP0605647.1 [0,0,0,0,0,0|2,0,1]=3 29 B7R0.16 C[C@@H](N)[C@@H](N)C(=O)O CNP0271750.2 [0,0,0,0,0,0|2,0,1]=3 30 B7R0.16 C[C@@H](N)[C@H](N)C(=O)O CNP0271750.3 [0,0,0,0,0,0|2,0,1]=3 31 B7R0.16 C[C@@H](O)C(=O)C(=O)O CNP0287171.1 [0,0,0,0,0,0|1,0,0]=1 32 B7R0.16 C[C@@H](O)C(N)C(=O)O CNP0361197.2 [0,0,0,0,0,0|2,0,1]=3 33 B7R0.16 C[C@@H](O)[C@@H](C)C(=O)O CNP0176980.1 [0,0,0,0,0,0|2,0,1]=3 34 B7R0.16 C[C@@H](O)[C@@H](N)C(=O)O CNP0361197.5 [0,0,0,0,0,0|2,0,1]=3 35 B7R0.16 C[C@@H](O)[C@@H](O)C(=O)O CNP0082312.1 [0,0,0,0,0,0|1,0,2]=3 36 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O CNP0361197.1 [0,0,0,0,0,0|2,0,1]=3 37 B7R0.16 C[C@@H](O)[C@H](O)C(=O)O CNP0082312.2 [0,0,0,0,0,0|1,0,2]=3 38 B7R0.16 C[C@@H](S)[C@@H](N)C(=O)O CNP0290431.3 [0,0,0,0,0,0|2,0,1]=3 39 B7R0.16 C[C@@H](S)[C@H](N)C(=O)O CNP0290431.1 [0,0,0,0,0,0|2,0,1]=3 40 B7R0.16 C[C@H](Br)[C@@H](Br)C(=O)O CNP0447694.1 [0,0,0,0,0,0|2,0,1]=3 41 B7R0.16 C[C@H](Br)[C@H](Br)C(=O)O CNP0447694.3 [0,0,0,0,0,0|2,0,1]=3 42 B7R0.16 C[C@H](C(=O)O)[C@@H](C)O CNP0176980.3 [0,0,0,0,0,0|2,0,1]=3 43 B7R0.16 C[C@H](N)[C@@H](N)C(=O)O CNP0271750.4 [0,0,0,0,0,0|2,0,1]=3 44 B7R0.16 C[C@H](N)[C@H](N)C(=O)O CNP0271750.1 [0,0,0,0,0,0|2,0,1]=3 45 B7R0.16 C[C@H](O)[C@@H](C)C(=O)O CNP0176980.2 [0,0,0,0,0,0|2,0,1]=3 46 B7R0.16 C[C@H](O)[C@@H](N)C(=O)O CNP0361197.4 [0,0,0,0,0,0|2,0,1]=3 47 B7R0.16 C[C@H](O)[C@H](C)C(=O)O CNP0176980.4 [0,0,0,0,0,0|2,0,1]=3 48 B7R0.16 C[C@H](O)[C@H](N)C(=O)N CNP0419355.1 [0,0,0,0,0,0|3,0,1]=4 49 B7R0.16 C[C@H](O)[C@H](N)C(=O)O CNP0361197.3 [0,0,0,0,0,0|2,0,1]=3 50 B7R0.16 C[C@H](S)[C@@H](N)C(=O)O CNP0290431.2 [0,0,0,0,0,0|2,0,1]=3 51 B7R0.16 C[C@H](S)[C@H](N)C(=O)O CNP0290431.4 [0,0,0,0,0,0|2,0,1]=3 52 B7R0.16 O=C(O)C(=C(Br)Br)Br CNP0296923.0 [0,0,0,0,0,0|3,0,1]=4 53 B7R0.16 O=C(O)C(=C(Br)Br)I CNP0355639.0 [0,0,0,0,0,0|3,0,1]=4 54 B7R0.16 O=C(O)C(=C(Br)I)Br CNP0305118.0 [0,0,0,0,0,0|3,0,1]=4 55 B7R0.16 O=C(O)C(=O)C(=O)O CNP0307436.0 [0,0,0,0,0,0|2,0,1]=3 56 B7R0.16 [13CH3][13CH]([13CH3])[13C@H]([15NH2])[13C](=O)O CNP0152507.4 [0,0,0,0,0,0|1,0,1]=2 57 B6R0.2 CC(=CC(=O)Cl)C CNP0301599.0 [1,0,0,0,0,0|1,0,1]=3 58 B6R0.2 CC(=CC(=O)N)C CNP0186116.0 [1,0,0,0,0,0|1,0,1]=3 59 B6R0.2 CC(=CC(=O)O)C CNP0191929.0 [1,0,0,0,0,0|0,0,1]=2 60 B6R0.2 CC(=CC(=O)O)O CNP0487751.0 [1,0,0,0,0,0|1,0,1]=3 61 B6R0.2 CC(=CC(C)C)C CNP0084966.0 [1,0,0,0,0,0|2,0,0]=3 62 B6R0.2 CC(=C[13C](=O)C)C CNP0541964.0 [1,0,0,0,0,0|1,0,1]=3 63 B6R0.2 CC(=O)C=C(C)C CNP0258331.0 [1,0,0,0,0,0|1,0,1]=3 64 B6R0.2 CC(=O)C=C(C)O CNP0344390.0 [1,0,0,0,0,0|2,0,1]=4 65 B6R0.2 CC(=O)CC(=O)O CNP0286292.0 [1,0,0,0,0,0|1,0,2]=4 66 B6R0.2 CC(=O)CC(C)C CNP0178924.0 [1,0,0,0,0,0|1,0,1]=3 67 B6R0.2 CC(=O)C[C@@H](C)O CNP0209002.1 [1,0,0,0,0,0|2,0,1]=4 68 B6R0.2 CC(=O)C[C@H](C)O CNP0209002.2 [1,0,0,0,0,0|2,0,1]=4 69 B6R0.2 CC(=O)OC(C)C CNP0234567.0 [1,0,0,0,0,0|2,0,0]=3 70 B6R0.2 CC(=S)OC(C)C CNP0539735.0 [1,0,0,0,0,0|2,1,0]=4 71 B6R0.2 CC(Br)C=C(Br)Br CNP0435859.0 [1,0,0,0,0,0|3,0,0]=4 72 B6R0.2 CC(C)CC(=O)N CNP0512695.0 [1,0,0,0,0,0|1,0,1]=3 73 B6R0.2 CC(C)CC(C)O CNP0493734.0 [1,0,0,0,0,0|1,0,2]=4 74 B6R0.2 CC(C)NC(=O)N CNP0331187.0 [1,0,0,0,0,0|2,0,0]=3 75 B6R0.2 CC(C)NC(=S)N CNP0284249.0 [1,0,0,0,0,0|2,1,0]=4 76 B6R0.2 CC(C)SC(=N)N CNP0584188.0 [1,0,0,0,0,0|3,0,0]=4 77 B6R0.2 CC(O)CC(=O)N CNP0217857.0 [1,0,0,0,0,0|2,0,1]=4 78 B6R0.2 CN(C)CC(=O)Cl CNP0017846.0 [1,0,0,0,0,0|2,0,1]=4 79 B6R0.2 CN(C)CC(=O)N CNP0045146.0 [1,0,0,0,0,0|2,0,1]=4 80 B6R0.2 CN(C)CC(=O)O CNP0175140.0 [1,0,0,0,0,0|1,0,1]=3 81 B6R0.2 C[C@@H](N)CC(=O)O CNP0287180.2 [1,0,0,0,0,0|1,0,1]=3 82 B6R0.2 C[C@@H](O)CC(=O)O CNP0161860.1 [1,0,0,0,0,0|1,0,1]=3 83 B6R0.2 C[C@H](N)CC(=O)O CNP0287180.1 [1,0,0,0,0,0|1,0,1]=3 84 B6R0.2 C[C@H](O)CC(=O)O CNP0161860.2 [1,0,0,0,0,0|1,0,1]=3 85 B6R0.2 C[C@H]([13CH3])CC(=O)O CNP0175489.1 [1,0,0,0,0,0|0,0,1]=2 86 B6R0.2 C[C](C)CC(=O)O CNP0606523.0 [1,0,0,0,0,0|0,0,2]=3 87 B6R0.2 C[S+](C)CC(=O)O CNP0149325.0 [1,0,0,0,0,0|1,0,1]=3 88 B6R0.2 C[S+](C)CC(=O)[O-] CNP0153505.0 [1,0,0,0,0,0|1,0,2]=4 89 B6R0.2 O=C(O)C=C(Br)Br CNP0377910.0 [1,0,0,0,0,0|2,0,1]=4 90 B6R0.2 O=C(O)C=C(Cl)Cl CNP0345285.0 [1,0,0,0,0,0|2,0,1]=4 91 B6R0.2 O=C(O)C=C(I)I CNP0227378.0 [1,0,0,0,0,0|2,0,1]=4 92 B6R0.3 C=C(C)C(=O)OC CNP0278102.0 [1,0,0,0,0,0|3,0,0]=4 93 B6R0.3 C=C(CC)C(=O)O CNP0082368.0 [1,0,0,0,0,0|1,0,0]=2 94 B6R0.3 C=C(CN)C(=O)O CNP0223341.0 [1,0,0,0,0,0|2,0,0]=3 95 B6R0.3 C=C(Cl)C(=O)OC CNP0115457.0 [1,0,0,0,0,0|3,0,0]=4 96 B6R0.3 C=C(NC)C(=O)O CNP0542368.0 [1,0,0,0,0,0|2,0,0]=3 97 B6R0.3 C=CC(=O)C(=O)O CNP0593167.0 [1,0,0,0,0,0|0,0,2]=3 98 B6R0.3 C=CC(=O)C(C)C CNP0350661.0 [1,0,0,0,0,0|1,0,0]=2 99 B6R0.3 CC(=NO)C(=O)O CNP0205729.0 [1,0,0,0,0,0|3,0,0]=4 100 B6R0.3 CC(Br)C(=O)CBr CNP0435945.0 [1,0,0,0,0,0|2,0,1]=4 101 B6R0.3 CC(C)C(=O)C#N CNP0344819.0 [1,0,0,0,0,0|1,0,1]=3 102 B6R0.3 CC(C)C(C)CO CNP0127606.0 [1,0,0,0,0,0|1,0,2]=4 103 B6R0.3 CC(C)C(N)C=O CNP0484074.0 [1,0,0,0,0,0|1,0,1]=3 104 B6R0.3 CC(C)C(N)C=O CNP0491546.0 [1,0,0,0,0,0|1,0,1]=3 105 B6R0.3 CC(C)C(N)C=O CNP0498484.0 [1,0,0,0,0,0|1,0,1]=3 106 B6R0.3 CC(C)[C@@H](N)CO CNP0177308.2 [1,0,0,0,0,0|1,0,2]=4 107 B6R0.3 CC(C)[C@@H](S)CO CNP0191310.1 [1,0,0,0,0,0|0,1,2]=4 108 B6R0.3 CC(C)[C@H](N)CO CNP0177308.1 [1,0,0,0,0,0|1,0,2]=4 109 B6R0.3 CC(O)C(=O)CO CNP0185354.0 [1,0,0,0,0,0|1,0,1]=3 110 B6R0.3 CC=C(C)C(=O)C CNP0119709.0 [1,0,0,0,0,0|2,0,1]=4 111 B6R0.3 CC=C(C)C(=O)N CNP0399229.0 [1,0,0,0,0,0|2,0,1]=4 112 B6R0.3 CC=C(C)C(=O)O CNP0238363.0 [1,0,0,0,0,0|1,0,1]=3 113 B6R0.3 CC=C(N)C(=O)O CNP0146934.0 [1,0,0,0,0,0|1,0,1]=3 114 B6R0.3 CCC(=C(C)C)C CNP0076862.0 [1,0,0,0,0,0|3,0,0]=4 115 B6R0.3 CCC(=O)C(=O)C CNP0311036.0 [1,0,0,0,0,0|1,0,0]=2 116 B6R0.3 CCC(=O)C(=O)O CNP0283357.0 [1,0,0,0,0,0|0,0,0]=1 117 B6R0.3 CCC(=O)C(C)C CNP0169958.0 [1,0,0,0,0,0|1,0,1]=3 118 B6R0.3 CCC(=O)C(C)S CNP0003027.0 [1,0,0,0,0,0|1,1,1]=4 119 B6R0.3 CCC(=O)N(C)C CNP0205998.0 [1,0,0,0,0,0|2,0,1]=4 120 B6R0.3 CCC(=O)[C@H](C)N CNP0316941.1 [1,0,0,0,0,0|2,0,1]=4 121 B6R0.3 CCC(=O)[C@H](C)O CNP0287252.1 [1,0,0,0,0,0|1,0,1]=3 122 B6R0.3 CCC(O)C(=O)C CNP0413470.0 [1,0,0,0,0,0|1,0,2]=4 123 B6R0.3 CCC(S)C(=O)C CNP0064467.0 [1,0,0,0,0,0|1,1,1]=4 124 B6R0.3 CC[C@@H](C)C(=O)C CNP0151175.1 [1,0,0,0,0,0|2,0,1]=4 125 B6R0.3 CC[C@@H](C)C(=O)Cl CNP0146254.2 [1,0,0,0,0,0|2,0,1]=4 126 B6R0.3 CC[C@@H](C)C(=O)N CNP0157695.1 [1,0,0,0,0,0|2,0,1]=4 127 B6R0.3 CC[C@@H](C)C(=O)O CNP0187792.1 [1,0,0,0,0,0|1,0,1]=3 128 B6R0.3 CC[C@@H](N)C(=O)O CNP0243222.1 [1,0,0,0,0,0|1,0,1]=3 129 B6R0.3 CC[C@@H](O)C(=O)C CNP0413470.1 [1,0,0,0,0,0|1,0,2]=4 130 B6R0.3 CC[C@@H](O)C(=O)O CNP0162708.1 [1,0,0,0,0,0|0,0,2]=3 131 B6R0.3 CC[C@H](C)C(=O)C CNP0151175.2 [1,0,0,0,0,0|2,0,1]=4 132 B6R0.3 CC[C@H](C)C(=O)Cl CNP0146254.1 [1,0,0,0,0,0|2,0,1]=4 133 B6R0.3 CC[C@H](C)C(=O)N CNP0157695.2 [1,0,0,0,0,0|2,0,1]=4 134 B6R0.3 CC[C@H](C)C(=O)O CNP0187792.2 [1,0,0,0,0,0|1,0,1]=3 135 B6R0.3 CC[C@H](N)C(=O)O CNP0243222.3 [1,0,0,0,0,0|1,0,1]=3 136 B6R0.3 CC[C@H](O)C(=O)O CNP0162708.2 [1,0,0,0,0,0|0,0,2]=3 137 B6R0.3 CN(C)C(=O)NO CNP0145831.0 [1,0,0,0,0,0|2,0,0]=3 138 B6R0.3 CNC(=O)C(=O)O CNP0336017.0 [1,0,0,0,0,0|1,0,0]=2 139 B6R0.3 CNC(=O)N(C)C CNP0499080.0 [1,0,0,0,0,0|3,0,0]=4 140 B6R0.3 CN[C@@H](C)C(=O)O CNP0126063.1 [1,0,0,0,0,0|2,0,1]=4 141 B6R0.3 CN[C@H](C)C(=O)O CNP0126063.2 [1,0,0,0,0,0|2,0,1]=4 142 B6R0.3 COC(=O)C(=O)C CNP0301085.0 [1,0,0,0,0,0|2,0,0]=3 143 B6R0.3 COC(=O)C(=O)Cl CNP0247015.0 [1,0,0,0,0,0|2,0,0]=3 144 B6R0.3 COC(=O)C(=O)O CNP0117987.0 [1,0,0,0,0,0|1,0,0]=2 145 B6R0.3 COC(=O)C(C)C CNP0354997.0 [1,0,0,0,0,0|2,0,0]=3 146 B6R0.3 COC(=O)[C@@H](C)N CNP0396122.3 [1,0,0,0,0,0|3,0,0]=4 147 B6R0.3 COC(=O)[C@@H](C)O CNP0238296.2 [1,0,0,0,0,0|2,0,1]=4 148 B6R0.3 COC(=O)[C@@H](N)O CNP0142697.1 [1,0,0,0,0,0|2,0,1]=4 149 B6R0.3 COC(=O)[C@H](C)N CNP0396122.2 [1,0,0,0,0,0|3,0,0]=4 150 B6R0.3 COC(=O)[C@H](C)O CNP0238296.1 [1,0,0,0,0,0|2,0,1]=4 151 B6R0.3 COC(=S)C(C)C CNP0507266.0 [1,0,0,0,0,0|2,1,0]=4 152 B6R0.3 C[C@@H](CN)C(=O)O CNP0291505.1 [1,0,0,0,0,0|2,0,1]=4 153 B6R0.3 C[C@@H](CO)C(=O)O CNP0257203.1 [1,0,0,0,0,0|2,0,1]=4 154 B6R0.3 C[C@@H](O)[C@H](N)C=O CNP0119001.1 [1,0,0,0,0,0|2,0,1]=4 155 B6R0.3 C[C@H](CN)C(=O)O CNP0291505.2 [1,0,0,0,0,0|2,0,1]=4 156 B6R0.3 C[C@H](CO)C(=O)O CNP0257203.2 [1,0,0,0,0,0|2,0,1]=4 157 B6R0.3 NC[C@@H](N)C(=O)O CNP0403048.1 [1,0,0,0,0,0|2,0,1]=4 158 B6R0.3 NC[C@@H](O)C(=O)O CNP0213687.1 [1,0,0,0,0,0|1,0,2]=4 159 B6R0.3 NC[C@H](N)C(=O)O CNP0403048.2 [1,0,0,0,0,0|2,0,1]=4 160 B6R0.3 N[C@@H](CO)C(=O)O CNP0275512.1 [1,0,0,0,0,0|2,0,1]=4 161 B6R0.3 N[C@@H](CS)C(=O)O CNP0280490.1 [1,0,0,0,0,0|2,0,1]=4 162 B6R0.3 N[C@@H](CS)C(=O)O CNP0543246.1 [1,0,0,0,0,0|2,0,1]=4 163 B6R0.3 N[C@@H](C[SeH])C(=O)O CNP0105616.1 [1,0,0,0,0,0|2,0,1]=4 164 B6R0.3 N[C@@H](C[Se])C(=O)O CNP0539066.1 [1,0,0,0,0,0|2,0,1]=4 165 B6R0.3 N[C@H](CCl)C(=O)O CNP0597943.1 [1,0,0,0,0,0|2,0,1]=4 166 B6R0.3 N[C@H](CO)C(=O)O CNP0275512.2 [1,0,0,0,0,0|2,0,1]=4 167 B6R0.3 N[C@H](CS)C(=O)O CNP0280490.2 [1,0,0,0,0,0|2,0,1]=4 168 B6R0.3 N[C@H](C[SeH])C(=O)O CNP0105616.2 [1,0,0,0,0,0|2,0,1]=4 169 B6R0.3 O=C(O)C(=CBr)Br CNP0109651.0 [1,0,0,0,0,0|2,0,1]=4 170 B6R0.3 O=C(O)C(=CCl)Cl CNP0278545.0 [1,0,0,0,0,0|2,0,1]=4 171 B6R0.3 O=C(O)C(=CI)I CNP0209094.0 [1,0,0,0,0,0|2,0,1]=4 172 B6R0.3 O=C(O)C(=CO)O CNP0197473.0 [1,0,0,0,0,0|1,0,2]=4 173 B6R0.3 O=C(O)C(=O)CO CNP0343498.0 [1,0,0,0,0,0|1,0,0]=2 174 B6R0.3 O=C(O)C(=O)CS CNP0172399.0 [1,0,0,0,0,0|1,0,0]=2 175 B6R0.3 O=C(O)[C@@H](O)CCl CNP0460792.2 [1,0,0,0,0,0|1,0,2]=4 176 B6R0.3 O=C(O)[C@@H](O)CO CNP0264905.2 [1,0,0,0,0,0|1,0,2]=4 177 B6R0.3 O=C(O)[C@@H](O)CS CNP0083519.1 [1,0,0,0,0,0|1,0,2]=4 178 B6R0.3 O=C(O)[C@H](O)CCl CNP0460792.1 [1,0,0,0,0,0|1,0,2]=4 179 B6R0.3 O=C(O)[C@H](O)CO CNP0264905.1 [1,0,0,0,0,0|1,0,2]=4 180 B6R0.3 O=C([O-])C(=O)CS CNP0525904.0 [1,0,0,0,0,0|1,0,1]=3 181 B6R0.3 O=CC(=O)C(=O)O CNP0106243.0 [1,0,0,0,0,0|1,0,1]=3 182 B8R0.2 C/C=C(/C)\[C@H](N)C(=O)O CNP0249655.2 [0,1,0,0,0,0|1,0,2]=4 183 B8R0.2 C/C=C(\C)/[C@H](N)C(=O)O CNP0249655.1 [0,1,0,0,0,0|1,0,2]=4 184 B8R0.2 C=C(C(=O)O)[C@H](O)CO CNP0177304.1 [0,1,0,0,0,0|2,0,0]=3 185 B8R0.2 C=C(C(=O)OC)[C@H](C)O CNP0274042.1 [0,1,0,0,0,0|2,0,0]=3 186 B8R0.2 CC(=O)C(=O)[C@@H](O)CO CNP0082869.1 [0,1,0,0,0,0|2,0,0]=3 187 B8R0.2 CC(C)[C@@H](N)C(=O)NO CNP0510615.1 [0,1,0,0,0,0|1,0,1]=3 188 B8R0.2 CC=C(C)C(O)C(=O)O CNP0231928.0 [0,1,0,0,0,0|0,0,3]=4 189 B8R0.2 CCC(=C(C)C(=O)C)C CNP0598294.0 [0,1,0,0,0,0|2,0,1]=4 190 B8R0.2 CCC(C)C(=O)C(C)C CNP0480087.0 [0,1,0,0,0,0|2,0,1]=4 191 B8R0.2 CCC(C)[C@@H](N)C(=O)O CNP0337843.4 [0,1,0,0,0,0|1,0,1]=3 192 B8R0.2 CCC(O)C(O)C(=O)O CNP0042669.0 [0,1,0,0,0,0|1,0,2]=4 193 B8R0.2 CC[C@@H](C)C(=O)C(=O)O CNP0163555.2 [0,1,0,0,0,0|0,0,0]=1 194 B8R0.2 CC[C@@H](C)[C@@H](N)C(=O)O CNP0337843.2 [0,1,0,0,0,0|1,0,1]=3 195 B8R0.2 CC[C@@H](C)[C@@H](O)C(=O)O CNP0290048.1 [0,1,0,0,0,0|0,0,2]=3 196 B8R0.2 CC[C@@H](C)[C@H](N)C(=O)O CNP0337843.3 [0,1,0,0,0,0|1,0,1]=3 197 B8R0.2 CC[C@@H](C)[C@H](O)C(=O)O CNP0290048.3 [0,1,0,0,0,0|0,0,2]=3 198 B8R0.2 CC[C@@H](N)[C@@H](C)C(=O)O CNP0281114.2 [0,1,0,0,0,0|2,0,1]=4 199 B8R0.2 CC[C@@H](O)[C@@H](C)C(=O)O CNP0152762.2 [0,1,0,0,0,0|2,0,1]=4 200 B8R0.2 CC[C@H](C)C(=O)C(=O)O CNP0163555.1 [0,1,0,0,0,0|0,0,0]=1 201 B8R0.2 CC[C@H](C)[C@@H](N)C(=O)O CNP0337843.5 [0,1,0,0,0,0|1,0,1]=3 202 B8R0.2 CC[C@H](C)[C@@H](O)C(=O)O CNP0290048.4 [0,1,0,0,0,0|0,0,2]=3 203 B8R0.2 CC[C@H](C)[C@H](N)C(=O)O CNP0337843.1 [0,1,0,0,0,0|1,0,1]=3 204 B8R0.2 CC[C@H](C)[C@H](O)C(=O)O CNP0290048.2 [0,1,0,0,0,0|0,0,2]=3 205 B8R0.2 CC[C@H](N)[C@@H](C)C(=O)O CNP0281114.1 [0,1,0,0,0,0|2,0,1]=4 206 B8R0.2 CC[C@H](O)[C@@H](C)C(=O)O CNP0152762.1 [0,1,0,0,0,0|2,0,1]=4 207 B8R0.2 CC[C@H](O)[C@H](N)C(=O)O CNP0172440.1 [0,1,0,0,0,0|2,0,1]=4 208 B8R0.2 COC(=O)C(=O)C(C)C CNP0337448.0 [0,1,0,0,0,0|0,0,0]=1 209 B8R0.2 COC(=O)C(C)C(C)C CNP0354391.0 [0,1,0,0,0,0|1,0,1]=3 210 B8R0.2 COC(=O)C(O)C(C)C CNP0612001.0 [0,1,0,0,0,0|0,0,2]=3 211 B8R0.2 COC(=O)[C@@H](C)[C@H](C)O CNP0193149.3 [0,1,0,0,0,0|2,0,1]=4 212 B8R0.2 COC(=O)[C@@H](N)C(C)C CNP0369647.2 [0,1,0,0,0,0|1,0,1]=3 213 B8R0.2 COC(=O)[C@@H](N)[C@@H](C)O CNP0109671.2 [0,1,0,0,0,0|2,0,1]=4 214 B8R0.2 COC(=O)[C@@H](N)[C@H](C)O CNP0109671.1 [0,1,0,0,0,0|2,0,1]=4 215 B8R0.2 COC(=O)[C@H](C)[C@@H](C)O CNP0193149.2 [0,1,0,0,0,0|2,0,1]=4 216 B8R0.2 COC(=O)[C@H](C)[C@H](C)O CNP0193149.1 [0,1,0,0,0,0|2,0,1]=4 217 B8R0.2 CO[C@H](C)[C@H](N)C(=O)O CNP0138461.1 [0,1,0,0,0,0|1,0,1]=3 218 B8R0.2 C[C@H](CO)[C@H](N)C(=O)O CNP0265775.1 [0,1,0,0,0,0|1,0,1]=3 219 B8R0.2 NC[C@@H](O)[C@H](O)C(=O)O CNP0266356.3 [0,1,0,0,0,0|1,0,2]=4 220 B8R0.2 NC[C@H](O)[C@@H](O)C(=O)O CNP0266356.2 [0,1,0,0,0,0|1,0,2]=4 221 B8R0.2 NC[C@H](O)[C@H](O)C(=O)O CNP0266356.1 [0,1,0,0,0,0|1,0,2]=4 222 B8R0.2 N[C@@H](C(=O)O)[C@@H](O)CCl CNP0343503.2 [0,1,0,0,0,0|2,0,1]=4 223 B8R0.2 N[C@@H](C(=O)O)[C@@H](O)CO CNP0267593.2 [0,1,0,0,0,0|2,0,1]=4 224 B8R0.2 N[C@@H](C(=O)O)[C@H](O)CO CNP0267593.4 [0,1,0,0,0,0|2,0,1]=4 225 B8R0.2 N[C@H](C(=O)O)[C@@H](O)CCl CNP0343503.1 [0,1,0,0,0,0|2,0,1]=4 226 B8R0.2 N[C@H](C(=O)O)[C@@H](O)CO CNP0267593.3 [0,1,0,0,0,0|2,0,1]=4 227 B8R0.2 N[C@H](C(=O)O)[C@H](O)CCl CNP0343503.3 [0,1,0,0,0,0|2,0,1]=4 228 B8R0.2 N[C@H](C(=O)O)[C@H](O)CO CNP0267593.1 [0,1,0,0,0,0|2,0,1]=4 229 B8R0.2 O=C(O)C(=O)C(O)CO CNP0611324.0 [0,1,0,0,0,0|1,0,0]=2 230 B8R0.2 O=C(O)[C@@H](O)[C@@H](O)CO CNP0144827.3 [0,1,0,0,0,0|1,0,2]=4 231 B8R0.2 O=C(O)[C@@H](O)[C@H](O)CO CNP0144827.1 [0,1,0,0,0,0|1,0,2]=4 232 B8R0.2 O=C(O)[C@H](O)[C@@H](O)CO CNP0144827.2 [0,1,0,0,0,0|1,0,2]=4 233 B8R0.2 O=C(O)[C@H](O)[C@H](O)CO CNP0144827.4 [0,1,0,0,0,0|1,0,2]=4 234 B8R0.18 CC(C)[C@H](NO)C(=O)O CNP0082684.1 [0,1,0,0,0,0|0,0,2]=3 235 B8R0.18 CCC(C(=O)O)C(C)C CNP0474266.0 [0,1,0,0,0,0|1,0,1]=3 236 B8R0.18 CCC(C(=O)O)C(C)O CNP0376604.0 [0,1,0,0,0,0|2,0,1]=4 237 B8R0.18 CN(C)[C@@H](CO)C(=O)O CNP0113680.1 [0,1,0,0,0,0|1,0,2]=4 238 B8R0.18 CN[C@@H](C(=O)O)C(C)C CNP0239286.1 [0,1,0,0,0,0|1,0,1]=3 239 B8R0.18 CN[C@@H](C(=O)O)[C@@H](C)O CNP0147674.2 [0,1,0,0,0,0|2,0,1]=4 240 B8R0.18 CN[C@H](C(=O)O)C(C)C CNP0239286.2 [0,1,0,0,0,0|1,0,1]=3 241 B8R0.18 CN[C@H](C(=O)O)[C@@H](C)O CNP0147674.1 [0,1,0,0,0,0|2,0,1]=4 242 B8R0.18 CN[C@H](C(=O)O)[C@H](C)O CNP0147674.3 [0,1,0,0,0,0|2,0,1]=4 243 B8R0.18 C[C@@H](O)[C@H](NO)C(=O)O CNP0541034.1 [0,1,0,0,0,0|1,0,2]=4 244 B8R0.18 [C-]#[N+][C@H](C(=O)O)C(C)C CNP0500576.1 [0,1,0,0,0,0|1,0,1]=3 245 B8R0.27 CC(C)(C)[C@@H](N)C(=O)N CNP0245908.1 [0,1,0,0,0,0|2,0,1]=4 246 B8R0.27 CC(C)(C)[C@@H](N)C(=O)O CNP0182487.1 [0,1,0,0,0,0|1,0,1]=3 247 B8R0.27 CC(C)(C)[C@H](N)C(=O)N CNP0245908.2 [0,1,0,0,0,0|2,0,1]=4 248 B8R0.27 CC(C)(C)[C@H](N)C(=O)O CNP0182487.2 [0,1,0,0,0,0|1,0,1]=3 249 B8R0.27 CC(C)(N)[C@@H](O)C(=O)O CNP0191312.1 [0,1,0,0,0,0|0,0,2]=3 250 B8R0.27 CC(C)(O)[C@@H](O)C(=O)O CNP0224141.1 [0,1,0,0,0,0|0,0,2]=3 251 B8R0.27 CC(C)(O)[C@H](N)C(=O)O CNP0258599.1 [0,1,0,0,0,0|1,0,1]=3 252 B8R0.27 CC(C)(O)[C@H](O)C(=O)O CNP0224141.2 [0,1,0,0,0,0|0,0,2]=3 253 B8R0.27 CC(C)(S)[C@@H](N)C(=O)O CNP0419440.1 [0,1,0,0,0,0|1,0,1]=3 254 B8R0.27 CC(C)(S)[C@H](N)C(=O)O CNP0419440.2 [0,1,0,0,0,0|1,0,1]=3 255 B8R0.27 CC(C)[C@H](N)P(=O)(O)O CNP0050135.1 [0,1,0,0,0,0|2,0,1]=4 256 B8R0.37 CC(C)[C@@](N)(O)C(=O)O CNP0185848.1 [0,1,0,0,0,0|0,0,2]=3 257 B8R0.37 CC(C)[C@](N)(O)C(=O)O CNP0185848.2 [0,1,0,0,0,0|0,0,2]=3 258 B8R0.37 CC(O)C(C)(C)C(=O)O CNP0082064.0 [0,1,0,0,0,0|2,0,1]=4 259 B8R0.37 CN(C)C(C)(C)C(=O)O CNP0482978.0 [0,1,0,0,0,0|2,0,1]=4 260 B8R0.37 C[C@@H](O)[C@](C)(O)C(=O)O CNP0265434.2 [0,1,0,0,0,0|1,0,2]=4 261 B8R0.37 C[C@H](O)[C@@](C)(O)C(=O)O CNP0265434.3 [0,1,0,0,0,0|1,0,2]=4 262 B8R0.37 C[C@H](O)[C@](C)(O)C(=O)O CNP0265434.1 [0,1,0,0,0,0|1,0,2]=4 263 B8R1.31 N[C@H]1CO[C@H]1C(=O)O CNP0307308.1 [0,0,0,1,0,0|1,0,2]=4 264 B8R1.50 C=C1C(=O)OC[C@@H]1O CNP0216725.1 [0,0,0,1,0,0|2,0,0]=3 265 B8R1.50 C=C1C(=O)OC[C@H]1O CNP0216725.2 [0,0,0,1,0,0|2,0,0]=3 266 B8R1.50 CC1=C(C(=O)CC1)C CNP0395678.0 [0,0,0,1,0,0|2,0,1]=4 267 B8R1.50 CC1=C(C(=O)CC1)O CNP0301474.0 [0,0,0,1,0,0|1,0,2]=4 268 B8R1.50 CC1=C(C(CC1)C)C CNP0610113.0 [0,0,0,1,0,0|3,0,0]=4 269 B8R1.50 CC1=CC[C@@H](C1=O)C CNP0035485.1 [0,0,0,1,0,0|2,0,0]=3 270 B8R1.50 CC1=CC[C@H](C1=O)C CNP0035485.2 [0,0,0,1,0,0|2,0,0]=3 271 B8R1.50 CC1CCC(C1=O)C CNP0569003.0 [0,0,0,1,0,0|2,0,1]=4 272 B8R1.50 CN1CC[C@H](C1=O)O CNP0148419.1 [0,0,0,1,0,0|2,0,1]=4 273 B8R1.50 C[C@@H]1C(=O)OC[C@@H]1O CNP0400627.1 [0,0,0,1,0,0|2,0,1]=4 274 B8R1.50 C[C@@H]1C(=O)OC[C@H]1O CNP0400627.2 [0,0,0,1,0,0|2,0,1]=4 275 B8R1.50 C[C@@H]1COC(=O)[C@@H]1O CNP0158436.1 [0,0,0,1,0,0|0,0,2]=3 276 B8R1.50 C[C@@H]1CSC(=O)[C@H]1C CNP0371983.1 [0,0,0,1,0,0|1,1,1]=4 277 B8R1.50 C[C@H]1C(=O)OC[C@@H]1O CNP0400627.3 [0,0,0,1,0,0|2,0,1]=4 278 B8R1.50 C[C@H]1CC=C(C1=O)O CNP0292071.1 [0,0,0,1,0,0|1,0,0]=2 279 B8R1.50 C[C@H]1CCC(=O)C1=O CNP0124225.1 [0,0,0,1,0,0|1,0,0]=2 280 B8R1.50 O=C1OCC(=C1O)O CNP0612147.0 [0,0,0,1,0,0|1,0,2]=4 281 B8R1.50 O=C1OC[C@@H]([C@@H]1O)O CNP0228474.4 [0,0,0,1,0,0|1,0,2]=4 282 B8R1.50 O=C1OC[C@@H]([C@H]1O)O CNP0228474.2 [0,0,0,1,0,0|1,0,2]=4 283 B8R1.50 O=C1OC[C@H]([C@@H]1O)O CNP0228474.1 [0,0,0,1,0,0|1,0,2]=4 284 B8R1.50 O=C1OC[C@H]([C@H]1O)O CNP0228474.3 [0,0,0,1,0,0|1,0,2]=4 285 B8R1.54 N[C@@H](C(=O)O)C1CC1 CNP0022932.1 [0,0,0,1,0,0|1,0,1]=3 286 B8R1.77 CC1(N[C@@H]1C(=O)O)C CNP0357340.1 [0,0,0,1,0,0|1,0,1]=3 287 B8R0.23 C=C(CC(=O)O)C(C)C CNP0058320.0 [0,0,0,0,0,1|1,0,0]=2 288 B8R0.23 CC(=CC(=O)Cl)C(C)C CNP0257848.0 [0,0,0,0,0,1|2,0,0]=3 289 B8R0.23 CC(=CC(=O)O)C(C)C CNP0219059.0 [0,0,0,0,0,1|1,0,0]=2 290 B8R0.23 CC(=CC(C)C)C(=O)O CNP0002603.0 [0,0,0,0,0,1|1,0,0]=2 291 B8R0.23 CC(=O)C(=O)CC(C)C CNP0131749.0 [0,0,0,0,0,1|1,0,0]=2 292 B8R0.23 CC(=O)C(O)CC(C)C CNP0003259.0 [0,0,0,0,0,1|1,0,2]=4 293 B8R0.23 CC(=O)C=C(C)C(C)C CNP0033202.0 [0,0,0,0,0,1|2,0,0]=3 294 B8R0.23 CC(=O)CC(=O)C(=O)O CNP0082978.0 [0,0,0,0,0,1|1,0,1]=3 295 B8R0.23 CC(=O)CC(=O)C(C)C CNP0109827.0 [0,0,0,0,0,1|1,0,0]=2 296 B8R0.23 CC(=O)CC(=O)N(C)C CNP0333027.0 [0,0,0,0,0,1|2,0,0]=3 297 B8R0.23 CC(=O)CC(S)C(C)C CNP0610501.0 [0,0,0,0,0,1|1,1,1]=4 298 B8R0.23 CC(C)CC(=O)C(=O)O CNP0271985.0 [0,0,0,0,0,1|0,0,0]=1 299 B8R0.23 CC(C)CC(=O)C(C)O CNP0003258.0 [0,0,0,0,0,1|1,0,1]=3 300 B8R0.23 CC(C)C[C@@H](N)C(=O)N CNP0135603.3 [0,0,0,0,0,1|2,0,1]=4 301 B8R0.23 CC(C)C[C@@H](N)C(=O)O CNP0201141.2 [0,0,0,0,0,1|1,0,1]=3 302 B8R0.23 CC(C)C[C@@H](O)C(=O)O CNP0270190.1 [0,0,0,0,0,1|0,0,2]=3 303 B8R0.23 CC(C)C[C@H](N)C(=O)N CNP0135603.2 [0,0,0,0,0,1|2,0,1]=4 304 B8R0.23 CC(C)C[C@H](N)C(=O)O CNP0201141.1 [0,0,0,0,0,1|1,0,1]=3 305 B8R0.23 CC(C)C[C@H](O)C(=O)O CNP0270190.2 [0,0,0,0,0,1|0,0,2]=3 306 B8R0.23 CC(C)OC(=O)C(C)C CNP0251914.0 [0,0,0,0,0,1|2,0,1]=4 307 B8R0.23 CC(C)[C@@H](N)CC(=O)O CNP0294752.1 [0,0,0,0,0,1|1,0,1]=3 308 B8R0.23 CC(C)[C@H](O)CC(=O)O CNP0314965.1 [0,0,0,0,0,1|0,0,2]=3 309 B8R0.23 CC(O)C(N)CC(=O)O CNP0415810.0 [0,0,0,0,0,1|2,0,1]=4 310 B8R0.23 CC(O)CC(=O)C(=O)O CNP0082912.0 [0,0,0,0,0,1|1,0,0]=2 311 B8R0.23 CN(C)C[C@H](N)C(=O)O CNP0374568.1 [0,0,0,0,0,1|2,0,1]=4 312 B8R0.23 CN(O)C(=O)NC(=O)O CNP0303620.0 [0,0,0,0,0,1|2,0,0]=3 313 B8R0.23 C[C@@H](O)C[C@@H](N)C(=O)O CNP0191849.1 [0,0,0,0,0,1|2,0,1]=4 314 B8R0.23 C[C@@H](O)C[C@H](N)C(=O)O CNP0191849.2 [0,0,0,0,0,1|2,0,1]=4 315 B8R0.23 C[C@H](Cl)C[C@H](N)C(=O)O CNP0194801.1 [0,0,0,0,0,1|2,0,1]=4 316 B8R0.23 C[C@H](N)C[C@@H](N)C(=O)O CNP0252327.1 [0,0,0,0,0,1|2,0,1]=4 317 B8R0.23 C[C@H](O)C[C@H](N)C(=O)O CNP0191849.3 [0,0,0,0,0,1|2,0,1]=4 318 B8R0.23 NC(=O)NC(=O)C(=O)O CNP0197878.0 [0,0,0,0,0,1|2,0,1]=4 319 B8R0.23 O=C(O)C(=O)CP(=O)=O CNP0343422.0 [0,0,0,0,0,1|3,0,0]=4 320 B8R0.23 O=C(O)C(=O)CS(=O)O CNP0083680.0 [0,0,0,0,0,1|3,0,0]=4 321 B8R0.23 O=C(O)CC(=O)C(=O)O CNP0390338.0 [0,0,0,0,0,1|2,0,1]=4 322 B5R0.1 C=C(O)CCC CNP0003382.0 [2,0,0,0,0,0|1,0,1]=4 323 B5R0.1 C=CC=C(C)C CNP0130651.0 [2,0,0,0,0,0|1,0,1]=4 324 B5R0.1 C=CCC(C)C CNP0293683.0 [2,0,0,0,0,0|1,0,1]=4 325 B5R0.1 C=COC(C)C CNP0491165.0 [2,0,0,0,0,0|2,0,0]=4 326 B5R0.1 CC(=CC=O)C CNP0325416.0 [2,0,0,0,0,0|0,0,1]=3 327 B5R0.1 CC(=CCO)C CNP0241702.0 [2,0,0,0,0,0|0,0,2]=4 328 B5R0.1 CC(C)C=CO CNP0546358.0 [2,0,0,0,0,0|0,0,0]=2 329 B5R0.1 CC(C)C=NO CNP0180575.0 [2,0,0,0,0,0|1,0,0]=3 330 B5R0.1 CC(C)CC=O CNP0200023.0 [2,0,0,0,0,0|0,0,1]=3 331 B5R0.1 CC(C)CCO CNP0115711.0 [2,0,0,0,0,0|0,0,2]=4 332 B5R0.1 CC(C)CNO CNP0343206.0 [2,0,0,0,0,0|1,0,1]=4 333 B5R0.1 CC(C)N=C=O CNP0495487.0 [2,0,0,0,0,0|1,0,1]=4 334 B5R0.1 CC(C)OC=O CNP0079775.0 [2,0,0,0,0,0|1,0,0]=3 335 B5R0.1 CC=CC(=O)C CNP0158055.0 [2,0,0,0,0,0|1,0,1]=4 336 B5R0.1 CC=CC(=O)Cl CNP0018733.0 [2,0,0,0,0,0|1,0,1]=4 337 B5R0.1 CC=CC(=O)N CNP0376163.0 [2,0,0,0,0,0|1,0,1]=4 338 B5R0.1 CC=CC(=O)O CNP0379669.0 [2,0,0,0,0,0|0,0,1]=3 339 B5R0.1 CC=CC(=O)S CNP0128183.0 [2,0,0,0,0,0|0,1,1]=4 340 B5R0.1 CC=CC(C)C CNP0513218.0 [2,0,0,0,0,0|1,0,0]=3 341 B5R0.1 CC=CC(C)O CNP0150168.0 [2,0,0,0,0,0|2,0,0]=4 342 B5R0.1 CCC=C(C)C CNP0331653.0 [2,0,0,0,0,0|2,0,0]=4 343 B5R0.1 CCC=C(C)O CNP0225775.0 [2,0,0,0,0,0|1,0,0]=3 344 B5R0.1 CCCC(=O)C CNP0169448.0 [2,0,0,0,0,0|1,0,1]=4 345 B5R0.1 CCCC(=O)N CNP0115101.0 [2,0,0,0,0,0|1,0,1]=4 346 B5R0.1 CCCC(=O)O CNP0259447.0 [2,0,0,0,0,0|0,0,1]=3 347 B5R0.1 CCCC(=O)[O-] CNP0521413.0 [2,0,0,0,0,0|0,0,2]=4 348 B5R0.1 CCNC(=O)C CNP0260078.0 [2,0,0,0,0,0|2,0,0]=4 349 B5R0.1 CCOC(=O)C CNP0322418.0 [2,0,0,0,0,0|2,0,0]=4 350 B5R0.1 CCOC(=O)N CNP0336700.0 [2,0,0,0,0,0|2,0,0]=4 351 B5R0.1 CCOC(=O)O CNP0166515.0 [2,0,0,0,0,0|1,0,0]=3 352 B5R0.1 CCO[13C](=O)C CNP0577601.0 [2,0,0,0,0,0|2,0,0]=4 353 B5R0.1 CCSC(=O)C CNP0274861.0 [2,0,0,0,0,0|2,0,0]=4 354 B5R0.1 CN=CC(C)C CNP0149349.0 [2,0,0,0,0,0|2,0,0]=4 355 B5R0.1 CNCC(=O)O CNP0307073.0 [2,0,0,0,0,0|1,0,1]=4 356 B5R0.1 CNCC(=O)O CNP0563704.0 [2,0,0,0,0,0|1,0,1]=4 357 B5R0.1 COCC(=O)O CNP0343219.0 [2,0,0,0,0,0|1,0,1]=4 358 B5R0.1 CSCC(=O)O CNP0447839.0 [2,0,0,0,0,0|1,0,1]=4 359 B5R0.1 C[C@@H](O)CC=O CNP0197470.1 [2,0,0,0,0,0|1,0,1]=4 360 B5R0.1 C[Se]CC(=O)O CNP0526449.0 [2,0,0,0,0,0|1,0,1]=4 361 B5R0.1 C[Te]CC(=O)O CNP0537189.0 [2,0,0,0,0,0|1,0,1]=4 362 B5R0.1 NCCC(=O)O CNP0226336.0 [2,0,0,0,0,0|1,0,1]=4 363 B5R0.1 O=C(O)C=CBr CNP0310992.0 [2,0,0,0,0,0|1,0,1]=4 364 B5R0.1 O=C(O)C=CCl CNP0293481.0 [2,0,0,0,0,0|1,0,1]=4 365 B5R0.1 O=C(O)C=CI CNP0239582.0 [2,0,0,0,0,0|1,0,1]=4 366 B5R0.1 O=C(O)C=NO CNP0286362.0 [2,0,0,0,0,0|2,0,0]=4 367 B5R0.1 O=C(O)CCO CNP0228379.0 [2,0,0,0,0,0|1,0,1]=4 368 B5R0.1 O=C(O)CCS CNP0097385.0 [2,0,0,0,0,0|1,0,1]=4 369 B5R0.3 C=C(C=O)CC CNP0542605.0 [2,0,0,0,0,0|1,0,0]=3 370 B5R0.3 C=CC(=O)CC CNP0362181.0 [2,0,0,0,0,0|1,0,0]=3 371 B5R0.3 C=CC(=O)OC CNP0217866.0 [2,0,0,0,0,0|2,0,0]=4 372 B5R0.3 CC=C(C)C=O CNP0281160.0 [2,0,0,0,0,0|1,0,1]=4 373 B5R0.3 CC=C(C)CC CNP0247687.0 [2,0,0,0,0,0|2,0,0]=4 374 B5R0.3 CCC(=CS)C CNP0025997.0 [2,0,0,0,0,0|1,1,0]=4 375 B5R0.3 CCC(=O)C=O CNP0301331.0 [2,0,0,0,0,0|0,0,0]=2 376 B5R0.3 CCC(=O)CC CNP0270305.0 [2,0,0,0,0,0|1,0,1]=4 377 B5R0.3 CCC(=O)CO CNP0165007.0 [2,0,0,0,0,0|0,0,1]=3 378 B5R0.3 CCC(=O)NN CNP0281170.0 [2,0,0,0,0,0|2,0,0]=4 379 B5R0.3 CCC(=O)OC CNP0166631.0 [2,0,0,0,0,0|2,0,0]=4 380 B5R0.3 CCC(=O)SC CNP0240172.0 [2,0,0,0,0,0|2,0,0]=4 381 B5R0.3 CC[C@@H](C)C=O CNP0220551.2 [2,0,0,0,0,0|1,0,1]=4 382 B5R0.3 CC[C@H](C)C=O CNP0220551.1 [2,0,0,0,0,0|1,0,1]=4 383 B5R0.3 NCC(=O)NO CNP0470573.0 [2,0,0,0,0,0|2,0,0]=4 384 B5R0.3 O=C(CO)CCl CNP0281226.0 [2,0,0,0,0,0|1,0,1]=4 385 B5R0.3 O=C(CO)CO CNP0303926.0 [2,0,0,0,0,0|1,0,1]=4 386 B5R0.5 C=C(C)C(=O)C CNP0137327.0 [2,0,0,0,0,0|2,0,0]=4 387 B5R0.5 C=C(C)C(=O)Cl CNP0281632.0 [2,0,0,0,0,0|2,0,0]=4 388 B5R0.5 C=C(C)C(=O)N CNP0186369.0 [2,0,0,0,0,0|2,0,0]=4 389 B5R0.5 C=C(C)C(=O)O CNP0147624.0 [2,0,0,0,0,0|1,0,0]=3 390 B5R0.5 C=C(C)[C@@H](C)O CNP0221154.1 [2,0,0,0,0,0|2,0,0]=4 391 B5R0.5 C=C(C)[C@H](C)O CNP0221154.2 [2,0,0,0,0,0|2,0,0]=4 392 B5R0.5 C=C(Cl)C(=O)O CNP0239649.0 [2,0,0,0,0,0|1,0,1]=4 393 B5R0.5 C=C(N)C(=O)O CNP0224979.0 [2,0,0,0,0,0|1,0,1]=4 394 B5R0.5 C=C(O)C(=O)O CNP0422136.0 [2,0,0,0,0,0|0,0,2]=4 395 B5R0.5 C=C(O)C(C)C CNP0150035.0 [2,0,0,0,0,0|0,0,1]=3 396 B5R0.5 CC(=C(C)O)C CNP0164530.0 [2,0,0,0,0,0|1,0,1]=4 397 B5R0.5 CC(=N)C(=O)O CNP0556238.0 [2,0,0,0,0,0|1,0,0]=3 398 B5R0.5 CC(=O)C(=O)C CNP0153215.0 [2,0,0,0,0,0|1,0,0]=3 399 B5R0.5 CC(=O)C(=O)N CNP0289593.0 [2,0,0,0,0,0|1,0,0]=3 400 B5R0.5 CC(=O)C(=O)O CNP0269827.0 [2,0,0,0,0,0|0,0,0]=2 401 B5R0.5 CC(=O)C(C)C CNP0209504.0 [2,0,0,0,0,0|0,0,1]=3 402 B5R0.5 CC(=O)C(C)S CNP0409589.0 [2,0,0,0,0,0|1,0,1]=4 403 B5R0.5 CC(=O)C(O)O CNP0547141.0 [2,0,0,0,0,0|0,0,2]=4 404 B5R0.5 CC(=O)N(C)C CNP0083052.0 [2,0,0,0,0,0|1,0,1]=4 405 B5R0.5 CC(=O)[C@@H](C)O CNP0395416.2 [2,0,0,0,0,0|1,0,1]=4 406 B5R0.5 CC(=O)[C@H](C)O CNP0395416.1 [2,0,0,0,0,0|1,0,1]=4 407 B5R0.5 CC(C)C(=O)Cl CNP0337045.0 [2,0,0,0,0,0|1,0,0]=3 408 B5R0.5 CC(C)C(=O)N CNP0226996.0 [2,0,0,0,0,0|1,0,0]=3 409 B5R0.5 CC(C)C(=O)O CNP0197560.0 [2,0,0,0,0,0|0,0,0]=2 410 B5R0.5 CC(C)[C@@H](C)O CNP0315380.1 [2,0,0,0,0,0|1,0,1]=4 411 B5R0.5 CC(C)[C@H](C)O CNP0315380.2 [2,0,0,0,0,0|1,0,1]=4 412 B5R0.5 CC(C)[N+](=O)[O-] CNP0587963.0 [2,0,0,0,0,0|1,0,1]=4 413 B5R0.5 CC(O)C(=O)[O-] CNP0519619.0 [2,0,0,0,0,0|1,0,1]=4 414 B5R0.5 CC(O)C(=O)[O-] CNP0556254.0 [2,0,0,0,0,0|1,0,1]=4 415 B5R0.5 CC(O)C(=O)[O-] CNP0561690.0 [2,0,0,0,0,0|1,0,1]=4 416 B5R0.5 CC(O)C(=O)[O-] CNP0579849.0 [2,0,0,0,0,0|1,0,1]=4 417 B5R0.5 CC(O)C(=O)[O-] CNP0592207.0 [2,0,0,0,0,0|1,0,1]=4 418 B5R0.5 C[C@@H](N)C(=O)O CNP0313085.2 [2,0,0,0,0,0|1,0,0]=3 419 B5R0.5 C[C@@H](O)C(=O)O CNP0232038.2 [2,0,0,0,0,0|1,0,0]=3 420 B5R0.5 C[C@H](N)C(=O)O CNP0313085.1 [2,0,0,0,0,0|1,0,0]=3 421 B5R0.5 C[C@H](O)C(=O)O CNP0232038.1 [2,0,0,0,0,0|1,0,0]=3 422 B5R0.5 C[C@H](S)C(=O)O CNP0223404.1 [2,0,0,0,0,0|1,0,0]=3 423 B5R0.5 NC(=O)C(=O)N CNP0365298.0 [2,0,0,0,0,0|2,0,0]=4 424 B5R0.5 NC(=O)C(=O)O CNP0300477.0 [2,0,0,0,0,0|1,0,0]=3 425 B5R0.5 N[C@H](O)C(=O)O CNP0294076.1 [2,0,0,0,0,0|2,0,0]=4 426 B5R0.5 O=C(Br)C(=O)Br CNP0244658.0 [2,0,0,0,0,0|2,0,0]=4 427 B5R0.5 O=C(O)C(=O)O CNP0235859.0 [2,0,0,0,0,0|1,0,0]=3 428 B5R0.5 O=C(O)C(Br)Br CNP0111357.0 [2,0,0,0,0,0|2,0,0]=4 429 B5R0.5 O=C(O)C(Cl)Cl CNP0151680.0 [2,0,0,0,0,0|2,0,0]=4 430 B5R0.5 O=C(O)C(I)I CNP0320084.0 [2,0,0,0,0,0|2,0,0]=4 431 B5R0.5 O=C(O)C(O)O CNP0603869.0 [2,0,0,0,0,0|2,0,0]=4 432 B5R0.5 O=C(O)[C@@H](Cl)Br CNP0017815.1 [2,0,0,0,0,0|2,0,0]=4 433 B5R0.5 O=C(O)[C@@H](Cl)I CNP0145949.2 [2,0,0,0,0,0|2,0,0]=4 434 B5R0.5 O=C(O)[C@H](Br)I CNP0246601.1 [2,0,0,0,0,0|2,0,0]=4 435 B5R0.5 O=C(O)[C@H](Cl)I CNP0145949.1 [2,0,0,0,0,0|2,0,0]=4 436 B5R0.5 O=[13C](O)[13C](=O)O CNP0502595.0 [2,0,0,0,0,0|1,0,0]=3 437 B7R0.2 C=CC(=O)NC(C)C CNP0414888.0 [1,1,0,0,0,0|2,0,0]=4 438 B7R0.2 CC(=CC(C)C)C=O CNP0076574.0 [1,1,0,0,0,0|1,0,0]=3 439 B7R0.2 CC(C)CC(=O)C#N CNP0113699.0 [1,1,0,0,0,0|1,0,1]=4 440 B7R0.2 CC(C)NC(=N)NO CNP0506975.0 [1,1,0,0,0,0|2,0,0]=4 441 B7R0.2 CC(CO)CC(=O)O CNP0350905.0 [1,1,0,0,0,0|0,0,1]=3 442 B7R0.2 CC=C(C)CC(=O)O CNP0178168.0 [1,1,0,0,0,0|0,0,2]=4 443 B7R0.2 CCC(=CC(=O)C)C CNP0380051.0 [1,1,0,0,0,0|1,0,1]=4 444 B7R0.2 CCC(=CC(=O)O)C CNP0340018.0 [1,1,0,0,0,0|0,0,1]=3 445 B7R0.2 CCC(=O)C=C(C)C CNP0540144.0 [1,1,0,0,0,0|1,0,1]=4 446 B7R0.2 CCC(=O)CC(C)C CNP0284484.0 [1,1,0,0,0,0|1,0,1]=4 447 B7R0.2 CCC(=O)OC(C)C CNP0250066.0 [1,1,0,0,0,0|2,0,0]=4 448 B7R0.2 CCC(C)CC(=O)C CNP0555982.0 [1,1,0,0,0,0|1,0,1]=4 449 B7R0.2 CC[C@@H](C)CC(=O)O CNP0258429.2 [1,1,0,0,0,0|0,0,1]=3 450 B7R0.2 CC[C@@H](C)OC(=O)C CNP0076550.2 [1,1,0,0,0,0|2,0,0]=4 451 B7R0.2 CC[C@H](C)CC(=O)Cl CNP0111918.1 [1,1,0,0,0,0|1,0,1]=4 452 B7R0.2 CC[C@H](C)CC(=O)N CNP0105662.1 [1,1,0,0,0,0|1,0,1]=4 453 B7R0.2 CC[C@H](C)CC(=O)O CNP0258429.1 [1,1,0,0,0,0|0,0,1]=3 454 B7R0.2 CC[C@H](C)OC(=O)C CNP0076550.1 [1,1,0,0,0,0|2,0,0]=4 455 B7R0.2 CC[C@H](O)CC(=O)O CNP0308552.1 [1,1,0,0,0,0|1,0,1]=4 456 B7R0.2 COC(=CC(=O)C)C CNP0350005.0 [1,1,0,0,0,0|1,0,1]=4 457 B7R0.2 COC(=O)C=C(C)C CNP0329537.0 [1,1,0,0,0,0|0,0,1]=3 458 B7R0.2 COC(=O)CC(C)C CNP0289344.0 [1,1,0,0,0,0|0,0,1]=3 459 B7R0.2 COC(=O)CC(C)S CNP0050854.0 [1,1,0,0,0,0|1,0,1]=4 460 B7R0.2 COC(=O)CN(C)C CNP0318263.0 [1,1,0,0,0,0|1,0,1]=4 461 B7R0.2 COC(=O)C[C@@H](C)N CNP0127877.1 [1,1,0,0,0,0|1,0,1]=4 462 B7R0.2 COC(=O)C[C@H](C)O CNP0117417.1 [1,1,0,0,0,0|1,0,1]=4 463 B7R0.2 COC(=O)C[S+](C)C CNP0025669.0 [1,1,0,0,0,0|1,0,1]=4 464 B7R0.2 COC(=O)C[S](C)C CNP0539244.0 [1,1,0,0,0,0|1,0,1]=4 465 B7R0.2 CSC(=O)CC(C)C CNP0084338.0 [1,1,0,0,0,0|0,1,1]=4 466 B7R0.2 NC[C@@H](N)CC(=O)O CNP0190172.1 [1,1,0,0,0,0|1,0,1]=4 467 B7R0.2 NC[C@@H](O)CC(=O)O CNP0335183.1 [1,1,0,0,0,0|1,0,1]=4 468 B7R0.2 NC[C@H](N)CC(=O)O CNP0190172.2 [1,1,0,0,0,0|1,0,1]=4 469 B7R0.2 NC[C@H](O)CC(=O)O CNP0335183.2 [1,1,0,0,0,0|1,0,1]=4 470 B7R0.2 N[C@@H](CS)CC(=O)O CNP0534853.1 [1,1,0,0,0,0|1,0,1]=4 471 B7R0.2 N[C@H](CO)CC(=O)O CNP0415784.1 [1,1,0,0,0,0|1,0,1]=4 472 B7R0.2 O=C(O)C[C@H](O)CO CNP0269358.1 [1,1,0,0,0,0|1,0,1]=4 473 B7R0.9 CC(=O)CC(C)(C)N CNP0308677.0 [1,1,0,0,0,0|1,0,1]=4 474 B7R0.9 CC(=O)CC(C)(C)O CNP0333881.0 [1,1,0,0,0,0|1,0,1]=4 475 B7R0.9 CC(=O)CC(C)(C)S CNP0003365.0 [1,1,0,0,0,0|1,0,1]=4 476 B7R0.9 CC(C)(C)NC(=O)N CNP0541950.0 [1,1,0,0,0,0|2,0,0]=4 477 B7R0.9 CC(C)(O)CC(=O)O CNP0284455.0 [1,1,0,0,0,0|0,0,1]=3 478 B7R0.9 CC(C)OP(=O)(O)O CNP0588322.0 [1,1,0,0,0,0|2,0,0]=4 479 B7R0.9 C[As+](C)(C)CC(=O)O CNP0017752.0 [1,1,0,0,0,0|1,0,1]=4 480 B7R0.9 C[N+](C)(C)CC(=O)O CNP0143060.0 [1,1,0,0,0,0|1,0,1]=4 481 B7R0.9 C[N+](C)(C)CC(=O)O CNP0558485.0 [1,1,0,0,0,0|1,0,1]=4 482 B7R0.5 C=C(C)C(=O)OCC CNP0262350.0 [1,1,0,0,0,0|2,0,0]=4 483 B7R0.5 C=C(CCN)C(=O)O CNP0291146.0 [1,1,0,0,0,0|1,0,0]=3 484 B7R0.5 C=C(CCO)C(=O)O CNP0185726.0 [1,1,0,0,0,0|1,0,0]=3 485 B7R0.5 C=C(CCO)C(C)C CNP0174657.0 [1,1,0,0,0,0|1,0,1]=4 486 B7R0.5 C=C(Cl)C(=O)OCC CNP0017723.0 [1,1,0,0,0,0|2,0,0]=4 487 B7R0.5 C=C(O)C(=O)OCC CNP0311886.0 [1,1,0,0,0,0|1,0,0]=3 488 B7R0.5 C=C=CC(=O)C(=O)O CNP0083854.0 [1,1,0,0,0,0|0,0,2]=4 489 B7R0.5 CC(=CCO)C(=O)O CNP0200165.0 [1,1,0,0,0,0|1,0,1]=4 490 B7R0.5 CC(=CCO)C(C)C CNP0253008.0 [1,1,0,0,0,0|1,0,0]=3 491 B7R0.5 CC(=O)C(=O)CCO CNP0018467.0 [1,1,0,0,0,0|1,0,0]=3 492 B7R0.5 CC=CC(=O)C(=O)O CNP0553247.0 [1,1,0,0,0,0|0,0,1]=3 493 B7R0.5 CCC=C(C)C(=O)O CNP0133224.0 [1,1,0,0,0,0|1,0,0]=3 494 B7R0.5 CCCC(=O)C(=O)C CNP0318298.0 [1,1,0,0,0,0|1,0,0]=3 495 B7R0.5 CCCC(=O)C(=O)N CNP0302137.0 [1,1,0,0,0,0|1,0,0]=3 496 B7R0.5 CCCC(=O)C(=O)O CNP0186110.0 [1,1,0,0,0,0|0,0,0]=2 497 B7R0.5 CCCC(=O)C(C)C CNP0310980.0 [1,1,0,0,0,0|1,0,1]=4 498 B7R0.5 CCCC(=O)[C@@H](C)O CNP0229678.1 [1,1,0,0,0,0|1,0,1]=4 499 B7R0.5 CCCC(=O)[C@H](C)O CNP0229678.2 [1,1,0,0,0,0|1,0,1]=4 500 B7R0.5 CCC[C@@H](C)C(=O)O CNP0218134.2 [1,1,0,0,0,0|1,0,1]=4 501 B7R0.5 CCC[C@@H](N)C(=O)O CNP0198245.2 [1,1,0,0,0,0|1,0,1]=4 502 B7R0.5 CCC[C@H](C)C(=O)O CNP0218134.1 [1,1,0,0,0,0|1,0,1]=4 503 B7R0.5 CCC[C@H](N)C(=O)O CNP0198245.1 [1,1,0,0,0,0|1,0,1]=4 504 B7R0.5 CCC[C@H](O)C(=O)O CNP0107771.1 [1,1,0,0,0,0|0,0,2]=4 505 B7R0.5 CCOC(=O)C(=O)C CNP0125982.0 [1,1,0,0,0,0|1,0,0]=3 506 B7R0.5 CCOC(=O)C(C)C CNP0230163.0 [1,1,0,0,0,0|1,0,1]=4 507 B7R0.5 CCOC(=O)[C@@H](C)O CNP0196373.1 [1,1,0,0,0,0|1,0,1]=4 508 B7R0.5 CCOC(=O)[C@@H](N)O CNP0223333.1 [1,1,0,0,0,0|1,0,1]=4 509 B7R0.5 CCOC(=O)[C@H](C)O CNP0196373.2 [1,1,0,0,0,0|1,0,1]=4 510 B7R0.5 CNC[C@@H](N)C(=O)O CNP0237559.2 [1,1,0,0,0,0|1,0,1]=4 511 B7R0.5 CNC[C@H](N)C(=O)O CNP0237559.1 [1,1,0,0,0,0|1,0,1]=4 512 B7R0.5 CSC[C@@H](N)C(=O)O CNP0391530.2 [1,1,0,0,0,0|1,0,1]=4 513 B7R0.5 CSC[C@H](N)C(=O)O CNP0391530.1 [1,1,0,0,0,0|1,0,1]=4 514 B7R0.5 C[C@@H](CCN)C(=O)O CNP0117278.1 [1,1,0,0,0,0|1,0,1]=4 515 B7R0.5 C[C@H](CCN)C(=O)O CNP0117278.2 [1,1,0,0,0,0|1,0,1]=4 516 B7R0.5 C[Se]C[C@H](N)C(=O)O CNP0420303.1 [1,1,0,0,0,0|1,0,1]=4 517 B7R0.5 NCC[C@@H](N)C(=O)O CNP0283118.2 [1,1,0,0,0,0|1,0,1]=4 518 B7R0.5 NCC[C@H](N)C(=O)O CNP0283118.1 [1,1,0,0,0,0|1,0,1]=4 519 B7R0.5 N[C@@H](CCO)C(=O)O CNP0287745.2 [1,1,0,0,0,0|1,0,1]=4 520 B7R0.5 N[C@@H](CCS)C(=O)O CNP0193002.1 [1,1,0,0,0,0|1,0,1]=4 521 B7R0.5 N[C@@H](CC[SeH])C(=O)O CNP0083667.1 [1,1,0,0,0,0|1,0,1]=4 522 B7R0.5 N[C@H](CCO)C(=O)O CNP0287745.3 [1,1,0,0,0,0|1,0,1]=4 523 B7R0.5 N[C@H](CCS)C(=O)O CNP0193002.2 [1,1,0,0,0,0|1,0,1]=4 524 B7R0.5 O=C(O)C(=O)CCO CNP0361332.0 [1,1,0,0,0,0|0,0,0]=2 525 B7R0.5 O=C(O)C(O)CCO CNP0218005.0 [1,1,0,0,0,0|0,0,2]=4 526 B7R0.5 O=CCC(=O)C(=O)O CNP0065471.0 [1,1,0,0,0,0|0,0,1]=3 527 B7R0.10 C=CC(=O)C(C)CC CNP0127244.0 [1,1,0,0,0,0|1,0,0]=3 528 B7R0.10 CC=C(C)C(=O)CC CNP0305910.0 [1,1,0,0,0,0|2,0,0]=4 529 B7R0.10 CC=C(C)C(=O)OC CNP0136936.0 [1,1,0,0,0,0|1,0,1]=4 530 B7R0.10 CCC(=O)C(=CN)C CNP0051930.0 [1,1,0,0,0,0|2,0,0]=4 531 B7R0.10 CCC(=O)C(=O)CC CNP0249046.0 [1,1,0,0,0,0|1,0,0]=3 532 B7R0.10 CCC(=O)[C@@H](C)CC CNP0326368.2 [1,1,0,0,0,0|1,0,1]=4 533 B7R0.10 CCC(=O)[C@H](C)CC CNP0326368.1 [1,1,0,0,0,0|1,0,1]=4 534 B7R0.10 CCC(C)C(N)C=O CNP0141097.0 [1,1,0,0,0,0|1,0,1]=4 535 B7R0.10 CCC(O)C(=O)OC CNP0611994.0 [1,1,0,0,0,0|0,0,2]=4 536 B7R0.10 CC[C@@H](C)C(=O)OC CNP0253021.1 [1,1,0,0,0,0|1,0,1]=4 537 B7R0.10 CC[C@H](C)C(=O)OC CNP0253021.2 [1,1,0,0,0,0|1,0,1]=4 538 B7R0.10 CNC(=O)C(=O)NC CNP0130900.0 [1,1,0,0,0,0|2,0,0]=4 539 B7R0.10 CN[C@@H](C)C(=O)OC CNP0066351.2 [1,1,0,0,0,0|2,0,0]=4 540 B7R0.10 CN[C@H](C)C(=O)OC CNP0066351.1 [1,1,0,0,0,0|2,0,0]=4 541 B7R0.10 COC(=O)C(=O)OC CNP0349615.0 [1,1,0,0,0,0|1,0,0]=3 542 B7R0.10 COC(=O)C(C)CO CNP0487988.0 [1,1,0,0,0,0|2,0,0]=4 543 B7R0.10 NOC(=O)C(=O)ON CNP0440207.0 [1,1,0,0,0,0|2,0,0]=4 544 B7R0.10 O=C(CO)[C@@H](O)CO CNP0200270.1 [1,1,0,0,0,0|1,0,1]=4 545 B7R0.10 O=C(CO)[C@H](O)CO CNP0200270.2 [1,1,0,0,0,0|1,0,1]=4 546 B7R0.13 CCC(C)(C)C(=O)O CNP0573336.0 [1,1,0,0,0,0|1,0,1]=4 547 B7R0.13 CC[C@@](C)(N)C(=O)O CNP0244941.2 [1,1,0,0,0,0|1,0,1]=4 548 B7R0.13 CC[C@@](C)(O)C(=O)O CNP0382124.1 [1,1,0,0,0,0|0,0,2]=4 549 B7R0.13 CC[C@](C)(N)C(=O)O CNP0244941.1 [1,1,0,0,0,0|1,0,1]=4 550 B7R0.13 CC[C@](C)(O)C(=O)O CNP0382124.2 [1,1,0,0,0,0|0,0,2]=4 551 B7R0.14 CC(C)(C)C(=O)C=O CNP0298052.0 [1,1,0,0,0,0|0,0,0]=2 552 B7R0.14 COC(=O)C(C)(C)O CNP0269144.0 [1,1,0,0,0,0|2,0,0]=4 553 B7R0.14 O=C(CCl)P(=O)(O)O CNP0343694.0 [1,1,0,0,0,0|2,0,0]=4 554 B7R0.15 CC=C(CO)C(=O)O CNP0149577.0 [1,1,0,0,0,0|0,0,2]=4 555 B7R0.15 CC=C(NC)C(=O)O CNP0549286.0 [1,1,0,0,0,0|1,0,1]=4 556 B7R0.15 CCC(CC)C(=O)O CNP0174903.0 [1,1,0,0,0,0|1,0,1]=4 557 B7R0.15 CCC(CO)C(=O)O CNP0245703.0 [1,1,0,0,0,0|0,0,2]=4 558 B7R0.15 CC[C@@H](NC)C(=O)O CNP0244843.1 [1,1,0,0,0,0|1,0,1]=4 559 B7R0.15 O=C(O)C(=CCl)CCl CNP0275314.0 [1,1,0,0,0,0|2,0,0]=4 560 B9R0.10 CC(=O)C=C(C)C(C)(C)C CNP0041607.0 [0,1,0,0,0,1|2,0,0]=4 561 B9R0.10 CC(=O)C=C(O)C(C)(C)C CNP0534330.0 [0,1,0,0,0,1|1,0,1]=4 562 B9R0.11 CC(C)C[C@](C)(N)C(=O)O CNP0508050.1 [0,1,0,0,0,1|1,0,1]=4 563 B9R0.11 CC(C)[C@@](C)(O)CC(=O)O CNP0235534.2 [0,1,0,0,0,1|0,0,2]=4 564 B9R0.11 CC(C)[C@](C)(O)CC(=O)O CNP0235534.1 [0,1,0,0,0,1|0,0,2]=4 565 B9R0.23 CC(=NO)C(=O)CC(C)C CNP0240772.0 [0,1,0,0,0,1|1,0,0]=3 566 B9R0.23 CC(C)C[C@H](N)C(=O)NO CNP0527266.1 [0,1,0,0,0,1|1,0,1]=4 567 B9R0.23 CC=C(C)C(=O)OC(C)C CNP0322856.0 [0,1,0,0,0,1|2,0,0]=4 568 B9R0.23 CCC(=O)C(=O)CC(C)C CNP0169073.0 [0,1,0,0,0,1|1,0,0]=3 569 B9R0.23 CC[C@H](C)[C@H](N)CC(=O)O CNP0415773.1 [0,1,0,0,0,1|1,0,1]=4 570 B9R0.23 COC(=O)C(=O)CC(C)C CNP0112927.0 [0,1,0,0,0,1|0,0,0]=2 571 B9R0.23 COC(=O)C(O)CC(C)C CNP0002916.0 [0,1,0,0,0,1|0,0,2]=4 572 B9R0.23 COC(=O)[C@@H](N)CC(C)C CNP0396242.2 [0,1,0,0,0,1|1,0,1]=4 573 B9R0.23 COC(=O)[C@H](N)CC(C)C CNP0396242.3 [0,1,0,0,0,1|1,0,1]=4 574 B9R0.39 CC(=O)C(=NO)CC(C)C CNP0159889.0 [0,1,0,0,0,1|1,0,1]=4 575 B9R0.39 CC(C)CC(=NO)C(=O)O CNP0082072.0 [0,1,0,0,0,1|0,0,1]=3 576 B9R0.39 CC(C)C[C@H](CS)C(=O)O CNP0552344.1 [0,1,0,0,0,1|0,1,1]=4 577 B9R0.39 CC(C)C[C@H](NO)C(=O)O CNP0205469.1 [0,1,0,0,0,1|0,0,2]=4 578 B9R0.39 CC(C)N[C@@H](CS)C(=O)O CNP0565141.1 [0,1,0,0,0,1|0,1,1]=4 579 B9R0.39 CC[C@@H](CC(=O)O)C(C)C CNP0293988.1 [0,1,0,0,0,1|1,0,1]=4 580 B9R0.39 CC[C@H](CC(=O)O)C(C)C CNP0293988.2 [0,1,0,0,0,1|1,0,1]=4 581 B9R0.39 CN[C@@H](CC(C)C)C(=O)O CNP0299896.1 [0,1,0,0,0,1|1,0,1]=4 582 B9R0.39 CN[C@H](CC(C)C)C(=O)O CNP0299896.2 [0,1,0,0,0,1|1,0,1]=4 583 B9R0.42 CCC(C)C[C@H](N)C(=O)O CNP0257538.2 [0,1,0,0,0,1|1,0,1]=4 584 B9R0.42 CC[C@@H](C)/C=C(\C)/C(=O)C CNP0235309.1 [0,1,0,0,0,1|2,0,0]=4 585 B9R0.42 CC[C@H](C)/C=C(\C)/C(=O)C CNP0235309.2 [0,1,0,0,0,1|2,0,0]=4 586 B9R0.42 CC[C@H](C)C[C@H](N)C(=O)O CNP0257538.1 [0,1,0,0,0,1|1,0,1]=4 587 B9R0.42 CNC(=O)NC(=O)C(=O)O CNP0105144.0 [0,1,0,0,0,1|1,0,1]=4 588 B9R0.42 COC(=O)C=C(C)C(C)C CNP0417930.0 [0,1,0,0,0,1|1,0,0]=3 589 B9R0.42 COC(=O)C=C(C)N(C)C CNP0034913.0 [0,1,0,0,0,1|2,0,0]=4 590 B9R0.42 C[C@H](CCl)C[C@H](N)C(=O)O CNP0213488.1 [0,1,0,0,0,1|1,0,1]=4 591 B9R0.42 NC[C@H](O)CC(=O)C(=O)O CNP0566698.1 [0,1,0,0,0,1|1,0,0]=3 592 B9R0.57 CC(C)(O)C[C@H](N)C(=O)O CNP0190763.1 [0,1,0,0,0,1|1,0,1]=4 593 B9R0.57 CC(N)C(=O)OP(=O)(O)O CNP0119916.0 [0,1,0,0,0,1|2,0,0]=4 594 B9R0.79 CC(=O)[C@@H](C)C(=O)C(C)C CNP0250974.2 [0,1,0,0,0,1|1,0,0]=3 595 B9R0.79 CC(=O)[C@H](C)C(=O)C(C)C CNP0250974.1 [0,1,0,0,0,1|1,0,0]=3 596 B9R0.79 CC(C)C(C)C(C)C(=O)O CNP0612187.0 [0,1,0,0,0,1|1,0,1]=4 597 B9R0.79 CC(C)N(O)C(=O)C(=O)O CNP0493755.0 [0,1,0,0,0,1|0,0,0]=2 598 B9R0.79 CC(C)[C@@H](O)[C@H](N)C(=O)O CNP0145515.1 [0,1,0,0,0,1|0,0,2]=4 599 B9R0.79 CC(C)[C@H](O)[C@H](N)C(=O)O CNP0145515.2 [0,1,0,0,0,1|0,0,2]=4 600 B9R0.6 C=C(C(=O)OCC)[C@@H](C)O CNP0184419.1 [0,2,0,0,0,0|2,0,0]=4 601 B9R0.6 CCC[C@@H](C)[C@H](N)C(=O)O CNP0381888.1 [0,2,0,0,0,0|1,0,1]=4 602 B9R0.6 CCC[C@H](C)[C@H](N)C(=O)O CNP0381888.2 [0,2,0,0,0,0|1,0,1]=4 603 B9R0.6 CCOC(=O)C(=O)C(C)C CNP0303947.0 [0,2,0,0,0,0|0,0,0]=2 604 B9R0.6 CCOC(=O)C(=O)N(C)C CNP0355375.0 [0,2,0,0,0,0|1,0,0]=3 605 B9R0.6 CCOC(=O)[C@@H](N)C(C)C CNP0535653.1 [0,2,0,0,0,0|1,0,1]=4 606 B9R0.6 CCOC(=O)[C@H](O)C(C)C CNP0170066.1 [0,2,0,0,0,0|0,0,2]=4 607 B9R0.25 COC(=O)[C@@H](N)C(C)(C)C CNP0202809.1 [0,2,0,0,0,0|1,0,1]=4 608 B9R0.27 C=C(C(=O)OC)[C@@H](O)CO CNP0233477.1 [0,2,0,0,0,0|2,0,0]=4 609 B9R0.27 C=C(C(=O)OC)[C@H](O)CO CNP0233477.2 [0,2,0,0,0,0|2,0,0]=4 610 B9R0.27 CCC(=O)C(=O)C(C)CC CNP0330922.0 [0,2,0,0,0,0|1,0,0]=3 611 B9R0.27 CCC(C)C(=O)C(=O)OC CNP0194521.0 [0,2,0,0,0,0|0,0,0]=2 612 B9R0.27 CC[C@H](C)[C@H](N)C(=O)OC CNP0385653.2 [0,2,0,0,0,0|1,0,1]=4 613 B9R0.27 CC[C@H](C)[C@H](O)C(=O)OC CNP0192892.1 [0,2,0,0,0,0|0,0,2]=4 614 B9R0.27 COC(=O)C(=O)C(=O)OC CNP0423132.0 [0,2,0,0,0,0|1,0,1]=4 615 B9R0.29 CC[C@@H](C)[C@@H](NC)C(=O)O CNP0218334.2 [0,2,0,0,0,0|1,0,1]=4 616 B9R0.29 CC[C@@H](C)[C@H](NC)C(=O)O CNP0218334.4 [0,2,0,0,0,0|1,0,1]=4 617 B9R0.29 CC[C@H](C)[C@@H](NC)C(=O)O CNP0218334.1 [0,2,0,0,0,0|1,0,1]=4 618 B9R0.29 CC[C@H](C)[C@H](NC)C(=O)O CNP0218334.3 [0,2,0,0,0,0|1,0,1]=4 619 B9R0.29 CN[C@H](C(=O)OC)C(C)C CNP0088244.1 [0,2,0,0,0,0|1,0,1]=4 620 B9R0.32 CC(C)(CO)C(=O)C(=O)O CNP0358941.0 [0,2,0,0,0,0|0,0,0]=2 621 B9R0.32 CC(C)(CO)[C@@H](O)C(=O)O CNP0159031.1 [0,2,0,0,0,0|0,0,2]=4 622 B9R0.32 CC(C)(CO)[C@H](N)C(=O)O CNP0161879.1 [0,2,0,0,0,0|1,0,1]=4 623 B9R0.32 CC(C)(CO)[C@H](O)C(=O)O CNP0159031.2 [0,2,0,0,0,0|0,0,2]=4 624 B9R0.32 CCC(C)(C)C(=O)C(=O)O CNP0359042.0 [0,2,0,0,0,0|0,0,0]=2 625 B9R0.32 CCC(C)(O)C(=O)C(=O)O CNP0044065.0 [0,2,0,0,0,0|0,0,0]=2 626 B9R0.32 CC[C@@](C)(O)[C@@H](O)C(=O)O CNP0207481.1 [0,2,0,0,0,0|0,0,2]=4 627 B9R0.32 CC[C@](C)(O)[C@@H](O)C(=O)O CNP0207481.2 [0,2,0,0,0,0|0,0,2]=4 628 B9R0.32 COC(C)(C)[C@H](N)C(=O)O CNP0302352.1 [0,2,0,0,0,0|1,0,1]=4 629 B9R0.41 CCC(CC)[C@@H](N)C(=O)O CNP0494081.2 [0,2,0,0,0,0|1,0,1]=4 630 B9R0.41 CCC(CC)[C@H](N)C(=O)O CNP0494081.1 [0,2,0,0,0,0|1,0,1]=4 631 B9R0.33 CCCC(C(=O)O)C(C)C CNP0499654.0 [0,2,0,0,0,0|1,0,1]=4 632 B9R0.33 CON=C(C(=O)O)C(C)C CNP0082065.0 [0,2,0,0,0,0|0,0,1]=3 633 B9R0.54 CC(=O)C(C(=O)C)C(C)C CNP0051527.0 [0,2,0,0,0,0|1,0,1]=4 634 B9R0.54 CC(C)[C@@H](C(=O)O)N(C)C CNP0604371.2 [0,2,0,0,0,0|1,0,1]=4 635 B9R0.54 CC(C)[C@H](C(=O)O)N(C)C CNP0604371.1 [0,2,0,0,0,0|1,0,1]=4 636 B9R0.80 CC(C)(O)C(C)(C)C(=O)O CNP0464078.0 [0,2,0,0,0,0|1,0,1]=4 637 B7R1.2 CC1=CC(=O)CC1 CNP0317275.0 [1,0,0,1,0,0|1,0,1]=4 638 B7R1.2 CC1=CC(=O)OC1 CNP0565176.0 [1,0,0,1,0,0|0,0,1]=3 639 B7R1.2 CC1C=C(CC1)O CNP0082123.0 [1,0,0,1,0,0|1,0,0]=3 640 B7R1.2 CC1CCC(=O)C1 CNP0601005.0 [1,0,0,1,0,0|1,0,1]=4 641 B7R1.2 CC1CCC(=O)S1 CNP0014457.0 [1,0,0,1,0,0|2,0,0]=4 642 B7R1.2 CC1CNC(=O)C1 CNP0609130.0 [1,0,0,1,0,0|1,0,1]=4 643 B7R1.2 CC1COC(=O)O1 CNP0609065.0 [1,0,0,1,0,0|1,0,0]=3 644 B7R1.2 C[C@@H]1CCC(=O)O1 CNP0123835.1 [1,0,0,1,0,0|2,0,0]=4 645 B7R1.2 C[C@@H]1COC(=O)C1 CNP0323281.1 [1,0,0,1,0,0|0,0,1]=3 646 B7R1.2 C[C@H]1CCC(=O)O1 CNP0123835.2 [1,0,0,1,0,0|2,0,0]=4 647 B7R1.2 C[C@H]1COC(=O)C1 CNP0323281.2 [1,0,0,1,0,0|0,0,1]=3 648 B7R1.2 C[C@H]1COC(=S)N1 CNP0279656.1 [1,0,0,1,0,0|1,1,0]=4 649 B7R1.2 O=C1C=C(CO1)O CNP0181857.0 [1,0,0,1,0,0|1,0,1]=4 650 B7R1.2 O=C1C[C@@H](CO1)O CNP0174638.1 [1,0,0,1,0,0|1,0,1]=4 651 B7R1.2 O=C1C[C@H](CO1)O CNP0174638.2 [1,0,0,1,0,0|1,0,1]=4 652 B7R1.4 C=C1CCOC1=O CNP0195400.0 [1,0,0,1,0,0|1,0,0]=3 653 B7R1.4 CC1=C(CCO1)S CNP0002471.0 [1,0,0,1,0,0|1,1,0]=4 654 B7R1.4 CC1=CCCC1=O CNP0196465.0 [1,0,0,1,0,0|2,0,0]=4 655 B7R1.4 CC1=CCOC1=O CNP0216253.0 [1,0,0,1,0,0|1,0,1]=4 656 B7R1.4 CC1COCC1=O CNP0611227.0 [1,0,0,1,0,0|0,0,1]=3 657 B7R1.4 CN1CC=CC1=O CNP0611983.0 [1,0,0,1,0,0|2,0,0]=4 658 B7R1.4 C[C@@H]1CCCC1=O CNP0165073.2 [1,0,0,1,0,0|1,0,1]=4 659 B7R1.4 C[C@@H]1CCOC1=O CNP0290908.1 [1,0,0,1,0,0|1,0,1]=4 660 B7R1.4 C[C@@H]1OCCC1=O CNP0116291.1 [1,0,0,1,0,0|1,0,1]=4 661 B7R1.4 C[C@H]1CCCC1=O CNP0165073.1 [1,0,0,1,0,0|1,0,1]=4 662 B7R1.4 C[C@H]1CCOC1=O CNP0290908.2 [1,0,0,1,0,0|1,0,1]=4 663 B7R1.4 C[C@H]1OCCC1=O CNP0116291.2 [1,0,0,1,0,0|1,0,1]=4 664 B7R1.4 N[C@@H]1CCOC1=O CNP0258027.3 [1,0,0,1,0,0|1,0,1]=4 665 B7R1.4 N[C@@H]1CONC1=O CNP0204572.1 [1,0,0,1,0,0|2,0,0]=4 666 B7R1.4 N[C@H]1CCOC1=O CNP0258027.2 [1,0,0,1,0,0|1,0,1]=4 667 B7R1.4 N[C@H]1CONC1=O CNP0204572.2 [1,0,0,1,0,0|2,0,0]=4 668 B7R1.4 O=C1C=CCC1=O CNP0612212.0 [1,0,0,1,0,0|1,0,1]=4 669 B7R1.4 O=C1CCC=C1O CNP0104225.0 [1,0,0,1,0,0|1,0,0]=3 670 B7R1.4 O=C1CCCC1=O CNP0086052.0 [1,0,0,1,0,0|1,0,0]=3 671 B7R1.4 O=C1COCC1S CNP0188638.0 [1,0,0,1,0,0|1,0,1]=4 672 B7R1.4 O=C1OCC=C1O CNP0541078.0 [1,0,0,1,0,0|0,0,2]=4 673 B7R1.15 C[C@@H]1OC(=O)[C@@H]1N CNP0339409.1 [1,0,0,1,0,0|1,0,1]=4 674 B7R1.17 C[C@]1(CCC1=O)O CNP0198495.1 [1,0,0,1,0,0|1,0,1]=4 675 B7R1.18 O=C(O)[C@@H]1CCN1 CNP0146840.1 [1,0,0,1,0,0|1,0,1]=4 676 B7R1.18 O=C(O)[C@H]1CCN1 CNP0146840.2 [1,0,0,1,0,0|1,0,1]=4 677 B7R1.19 NC1(CC1)C(=O)O CNP0418127.0 [1,0,0,1,0,0|1,0,1]=4 678 B7R1.22 COC(=O)C1CC1 CNP0386382.0 [1,0,0,1,0,0|2,0,0]=4 679 B9R1.35 CC(C)C1=CC(=O)CC1 CNP0206297.0 [0,0,0,1,0,1|2,0,0]=4 680 B9R1.35 CC(C)C1=CC(=O)OC1 CNP0608486.0 [0,0,0,1,0,1|1,0,0]=3 681 B9R1.35 C[C@@H]1CC[C@@H](C1)C(=O)O CNP0315118.1 [0,0,0,1,0,1|1,0,1]=4 682 B9R1.35 C[C@@H]1CN[C@@H](C1)C(=O)O CNP0293874.4 [0,0,0,1,0,1|1,0,1]=4 683 B9R1.35 C[C@@H]1CN[C@H](C1)C(=O)O CNP0293874.2 [0,0,0,1,0,1|1,0,1]=4 684 B9R1.35 C[C@H]1CC[C@H](N1)C(=O)O CNP0140199.1 [0,0,0,1,0,1|1,0,1]=4 685 B9R1.35 C[C@H]1CN[C@@H](C1)C(=O)O CNP0293874.3 [0,0,0,1,0,1|1,0,1]=4 686 B9R1.35 C[C@H]1CN[C@H](C1)C(=O)O CNP0293874.1 [0,0,0,1,0,1|1,0,1]=4 687 B9R1.35 O=C(O)C1=NCC(C1)O CNP0083616.0 [0,0,0,1,0,1|2,0,0]=4 688 B9R1.36 CC1=CC(N=C1O)(C)C CNP0570737.0 [0,0,0,1,0,1|2,0,0]=4 689 B9R1.36 CC1=C[C@@](OC1=O)(C)O CNP0149675.1 [0,0,0,1,0,1|2,0,0]=4 690 B9R1.38 CC1(OC(=O)C[C@H]1O)C CNP0199015.1 [0,0,0,1,0,1|0,0,2]=4 691 B9R1.38 CC1(OC(=O)N=C1O)C CNP0372072.0 [0,0,0,1,0,1|0,0,1]=3 692 B9R1.38 CC1(OC(=O)NC1=O)C CNP0571707.0 [0,0,0,1,0,1|0,0,0]=2 693 B9R1.38 CC1=CC(=O)C(C1)(C)C CNP0143665.0 [0,0,0,1,0,1|2,0,0]=4 694 B9R1.38 CC1=CC(=O)CC1(C)C CNP0611990.0 [0,0,0,1,0,1|2,0,0]=4 695 B9R1.69 CC1=CC(=O)OCC1O CNP0356511.0 [0,0,0,1,0,1|2,0,0]=4 696 B9R1.69 CC1CNC(=O)NC1=O CNP0349997.0 [0,0,0,1,0,1|1,0,0]=3 697 B9R1.69 CN1CCC(=O)NC1=O CNP0053056.0 [0,0,0,1,0,1|2,0,0]=4 698 B9R1.112 C[C@H](NC1CC1)C(=O)O CNP0492619.1 [0,0,0,1,0,1|1,0,1]=4 699 B9R1.112 N[C@@H](CC1CC1)C(=O)O CNP0115257.1 [0,0,0,1,0,1|1,0,1]=4 700 B9R1.3 C[C@@H]1OC=CC(=O)C1=O CNP0313434.1 [0,1,0,1,0,0|1,0,1]=4 701 B9R1.3 C[C@H]1CCCC(=O)C1=O CNP0208707.1 [0,1,0,1,0,0|1,0,0]=3 702 B9R1.37 C=C1C(=O)O[C@H]([C@@H]1O)C CNP0480925.1 [0,1,0,1,0,0|2,0,0]=4 703 B9R1.37 CC1=C(C(=O)C[C@H]1C)O CNP0318056.1 [0,1,0,1,0,0|1,0,0]=3 704 B9R1.37 CC1=C(C(=O)O[C@@H]1C)N CNP0137917.1 [0,1,0,1,0,0|1,0,1]=4 705 B9R1.37 CC1=C(C(=O)O[C@@H]1C)O CNP0413738.1 [0,1,0,1,0,0|0,0,2]=4 706 B9R1.37 CC1=C(C(=O)O[C@H]1C)O CNP0413738.2 [0,1,0,1,0,0|0,0,2]=4 707 B9R1.37 CC1=C(C(=O)[C@@H](C1)C)C CNP0135578.1 [0,1,0,1,0,0|2,0,0]=4 708 B9R1.37 CC1=C(C(=O)[C@@H](C1)C)O CNP0306768.1 [0,1,0,1,0,0|1,0,0]=3 709 B9R1.37 CC1=C(C(=O)[C@@H](O1)C)O CNP0310181.1 [0,1,0,1,0,0|2,0,0]=4 710 B9R1.37 CC1=C(C(=O)[C@H](C1)O)C CNP0357100.1 [0,1,0,1,0,0|1,0,1]=4 711 B9R1.37 CC1=C(C(=O)[C@H](O1)C)O CNP0310181.2 [0,1,0,1,0,0|2,0,0]=4 712 B9R1.37 CC1=C([C@@H](OC1=O)O)C CNP0280775.2 [0,1,0,1,0,0|1,0,1]=4 713 B9R1.37 CC1=C([C@H](OC1=O)C)C CNP0229013.1 [0,1,0,1,0,0|1,0,1]=4 714 B9R1.37 CC1=C([C@H](OC1=O)O)C CNP0280775.1 [0,1,0,1,0,0|1,0,1]=4 715 B9R1.37 C[C@@H]1CC(=O)C(=O)[C@H]1C CNP0172113.1 [0,1,0,1,0,0|1,0,0]=3 716 B9R1.37 C[C@@H]1C[C@@H](C(=O)C1=O)C CNP0314513.1 [0,1,0,1,0,0|1,0,0]=3 717 B9R1.37 C[C@@H]1NC(=O)N(C1=O)O CNP0326383.1 [0,1,0,1,0,0|2,0,0]=4 718 B9R1.37 C[C@H]1[C@@H](C(=O)O[C@@H]1C)N CNP0418917.1 [0,1,0,1,0,0|1,0,1]=4 719 B9R1.41 CC(=O)C1=CCC[C@H]1C CNP0246388.1 [0,1,0,1,0,0|2,0,0]=4 720 B9R1.41 C[C@@H]1CCC[C@H]1C(=O)O CNP0302447.1 [0,1,0,1,0,0|1,0,1]=4 721 B9R1.41 C[C@H]1CCC[C@@H]1C(=O)O CNP0302447.2 [0,1,0,1,0,0|1,0,1]=4 722 B9R1.93 CC[C@@H]1C[C@@]1(N)C(=O)O CNP0294977.4 [0,1,0,1,0,0|1,0,1]=4 723 B9R1.93 CC[C@@H]1C[C@]1(N)C(=O)O CNP0294977.3 [0,1,0,1,0,0|1,0,1]=4 724 B9R1.93 CC[C@H]1C[C@@]1(N)C(=O)O CNP0294977.1 [0,1,0,1,0,0|1,0,1]=4 725 B9R1.93 CC[C@H]1C[C@]1(N)C(=O)O CNP0294977.2 [0,1,0,1,0,0|1,0,1]=4 726 B9R1.110 O=C(O)C(=O)N1CCC1 CNP0339837.0 [0,1,0,1,0,0|1,0,0]=3 727 B9R1.111 CC1(CC1)[C@H](N)C(=O)O CNP0197750.1 [0,1,0,1,0,0|1,0,1]=4 728 B9R1.111 N[C@H](C(=O)O)C1(CC1)O CNP0161832.1 [0,1,0,1,0,0|1,0,1]=4 729 B9R1.132 CC[C@H]1CCC(=O)C1=O CNP0157827.1 [0,1,0,1,0,0|1,0,0]=3 730 B9R1.138 CC1(COC(=O)[C@@H]1O)C CNP0187947.1 [0,1,0,1,0,0|0,0,2]=4 731 B9R1.138 CC1(COC(=O)[C@H]1O)C CNP0187947.2 [0,1,0,1,0,0|0,0,2]=4 732 B9R1.185 COC(=O)[C@H]1NC1(C)C CNP0183519.1 [0,1,0,1,0,0|1,0,1]=4 733 B9R1.27 CC1=C(C(=O)OC1)CO CNP0215537.0 [0,1,0,1,0,0|0,0,2]=4 734 B9R1.27 CC1=C([C@H](CO1)C)C=O CNP0333364.1 [0,1,0,1,0,0|1,0,0]=3 735 B9R1.165 C[C@@](N)(C(=O)O)C1CC1 CNP0588096.1 [0,1,0,1,0,0|1,0,1]=4 736 B9R1.165 C[C@](N)(C(=O)O)C1CC1 CNP0588096.2 [0,1,0,1,0,0|1,0,1]=4 737 B9R2.150 O=C(O)[C@H]1N[C@H]2[C@@H]1C2 CNP0249310.1 [0,0,0,2,0,0|1,0,1]=4 738 B7R0.6 CC(=CCC(=O)O)C CNP0178388.0 [1,0,0,0,0,1|0,0,1]=3 739 B7R0.6 CC(=O)C=CC(=O)O CNP0237218.0 [1,0,0,0,0,1|1,0,1]=4 740 B7R0.6 CC(=O)C=CC(C)C CNP0282647.0 [1,0,0,0,0,1|1,0,0]=3 741 B7R0.6 CC(=O)CCC(C)C CNP0109911.0 [1,0,0,0,0,1|1,0,1]=4 742 B7R0.6 CC(=O)COC(C)C CNP0500658.0 [1,0,0,0,0,1|1,0,1]=4 743 B7R0.6 CC(=O)NCC(C)C CNP0330824.0 [1,0,0,0,0,1|1,0,1]=4 744 B7R0.6 CC(=O)OCC(C)C CNP0233943.0 [1,0,0,0,0,1|1,0,1]=4 745 B7R0.6 CC(C)C=CC(=O)Cl CNP0373188.0 [1,0,0,0,0,1|1,0,0]=3 746 B7R0.6 CC(C)C=CC(=O)O CNP0205254.0 [1,0,0,0,0,1|0,0,0]=2 747 B7R0.6 CC(C)CCC(=O)Cl CNP0308408.0 [1,0,0,0,0,1|1,0,1]=4 748 B7R0.6 CC(C)CCC(=O)N CNP0148296.0 [1,0,0,0,0,1|1,0,1]=4 749 B7R0.6 CC(C)CCC(=O)O CNP0414918.0 [1,0,0,0,0,1|0,0,1]=3 750 B7R0.6 CS(C)CCC(=O)O CNP0168459.0 [1,0,0,0,0,1|1,0,1]=4 751 B7R0.6 C[C@H](O)CCC(=O)O CNP0154959.1 [1,0,0,0,0,1|1,0,1]=4 752 B7R0.6 C[S+](C)CCC(=O)O CNP0349807.0 [1,0,0,0,0,1|1,0,1]=4 753 B7R0.6 C[S+](C)CCC(=O)O CNP0550706.0 [1,0,0,0,0,1|1,0,1]=4 754 B7R0.6 C[S](C)CCC(=O)O CNP0603322.0 [1,0,0,0,0,1|1,0,1]=4 755 B9R0.7 C=C(C)C(=O)OCC(C)C CNP0097521.0 [0,0,0,0,0,2|2,0,0]=4 756 B9R0.7 C=C(C)COC(=O)C(C)C CNP0104203.0 [0,0,0,0,0,2|2,0,0]=4 757 B9R0.7 CC(C)C(=O)CCC(=O)O CNP0329211.0 [0,0,0,0,0,2|0,0,0]=2 758 B9R0.7 CC(C)C(=O)NCC(=O)O CNP0079797.0 [0,0,0,0,0,2|0,0,0]=2 759 B9R0.7 CC(C)CC[C@H](N)C(=O)O CNP0116555.1 [0,0,0,0,0,2|1,0,1]=4 760 B9R0.7 CC(C)COC(=O)[C@@H](N)O CNP0184360.1 [0,0,0,0,0,2|1,0,1]=4 761 B9R0.7 CC(C)OCC(N)C(=O)O CNP0593258.0 [0,0,0,0,0,2|1,0,1]=4 762 B9R0.7 CC(C)[C@@H](O)C#CC(=O)O CNP0442900.2 [0,0,0,0,0,2|0,0,2]=4 763 B9R0.7 CC(C)[C@H](O)C#CC(=O)O CNP0442900.1 [0,0,0,0,0,2|0,0,2]=4 764 B9R0.7 CC(S)C(=O)NCC(=O)O CNP0492780.0 [0,0,0,0,0,2|1,0,0]=3 765 B9R0.7 C[C@@H](N)C(=O)NCC(=O)O CNP0524494.1 [0,0,0,0,0,2|1,0,0]=3 766 B9R0.7 C[C@@H](O)C(=O)CCC(=O)O CNP0134105.1 [0,0,0,0,0,2|1,0,0]=3 767 B9R0.53 CC(=CC(=O)OC(C)C)C CNP0228790.0 [0,0,0,0,0,2|2,0,0]=4 768 B9R0.53 CC(=CC(=O)SC(C)C)C CNP0219971.0 [0,0,0,0,0,2|2,0,0]=4 769 B9R0.53 CC(C)CC(N)CC(=O)O CNP0415809.0 [0,0,0,0,0,2|1,0,1]=4 770 B9R0.53 CC(C)CC(O)CC(=O)O CNP0002352.0 [0,0,0,0,0,2|0,0,2]=4 771 B9R0.53 C[C@H](N)CC(=O)CC(=O)O CNP0136260.1 [0,0,0,0,0,2|1,0,0]=3