0 B8R0.23 CC(=CC(=O)Cl)C(=O)Cl CNP0242939.0 [0,0,0,0,0,0|3,0,1]=4 1 B8R0.23 CC(=CC(=O)N)C(=O)N CNP0275048.0 [0,0,0,0,0,0|3,0,1]=4 2 B8R0.23 CC(=CC(=O)N)C(=O)O CNP0166908.0 [0,0,0,0,0,0|2,0,1]=3 3 B8R0.23 CC(=CC(=O)O)C(=O)O CNP0236669.0 [0,0,0,0,0,0|2,0,1]=3 4 B8R0.23 CC(=CC(C)C)C(=O)O CNP0002603.0 [0,0,0,0,0,0|0,0,0]=0 5 B8R0.23 CC(=O)C(=O)CC(C)C CNP0131749.0 [0,0,0,0,0,0|2,0,1]=3 6 B8R0.23 CC(=O)C(O)CC(C)C CNP0003259.0 [0,0,0,0,0,0|2,0,2]=4 7 B8R0.23 CC(=O)CC(=O)C(=O)O CNP0082978.0 [0,0,0,0,0,0|2,0,2]=4 8 B8R0.23 CC(=O)N[C@@H](C)C(=O)O CNP0136136.1 [0,0,0,0,0,0|2,0,2]=4 9 B8R0.23 CC(=O)O[C@H](C)C(=O)O CNP0159286.1 [0,0,0,0,0,0|2,0,2]=4 10 B8R0.23 CC(C)CC(=O)C(=O)O CNP0271985.0 [0,0,0,0,0,0|1,0,1]=2 11 B8R0.23 CC(C)CC(=O)C(C)O CNP0003258.0 [0,0,0,0,0,0|2,0,2]=4 12 B8R0.23 CC(C)C[C@@H](N)C(=O)N CNP0135603.3 [0,0,0,0,0,0|2,0,2]=4 13 B8R0.23 CC(C)C[C@@H](N)C(=O)O CNP0201141.2 [0,0,0,0,0,0|1,0,2]=3 14 B8R0.23 CC(C)C[C@@H](O)C(=O)O CNP0270190.1 [0,0,0,0,0,0|1,0,2]=3 15 B8R0.23 CC(C)C[C@H](N)C(=O)N CNP0135603.2 [0,0,0,0,0,0|2,0,2]=4 16 B8R0.23 CC(C)C[C@H](N)C(=O)O CNP0201141.1 [0,0,0,0,0,0|1,0,2]=3 17 B8R0.23 CC(C)C[C@H](O)C(=O)O CNP0270190.2 [0,0,0,0,0,0|1,0,2]=3 18 B8R0.23 CC(O)CC(=O)C(=O)O CNP0082912.0 [0,0,0,0,0,0|2,0,1]=3 19 B8R0.23 CN(C)C[C@H](N)C(=O)O CNP0374568.1 [0,0,0,0,0,0|2,0,2]=4 20 B8R0.23 C[C@@H](O)C[C@@H](N)C(=O)O CNP0191849.1 [0,0,0,0,0,0|2,0,2]=4 21 B8R0.23 C[C@@H](O)C[C@H](N)C(=O)O CNP0191849.2 [0,0,0,0,0,0|2,0,2]=4 22 B8R0.23 C[C@H](Cl)C[C@H](N)C(=O)O CNP0194801.1 [0,0,0,0,0,0|2,0,2]=4 23 B8R0.23 C[C@H](N)C[C@@H](N)C(=O)O CNP0252327.1 [0,0,0,0,0,0|2,0,2]=4 24 B8R0.23 C[C@H](O)C[C@H](N)C(=O)O CNP0191849.3 [0,0,0,0,0,0|2,0,2]=4 25 B8R0.23 O=C(O)C=C(O)C(=O)O CNP0279115.0 [0,0,0,0,0,0|3,0,1]=4 26 B7R0.2 C=CC(=O)NC(C)C CNP0414888.0 [1,0,0,0,0,0|3,0,0]=4 27 B7R0.2 C=CC(C)CC(C)C CNP0104195.0 [1,0,0,0,0,0|1,0,2]=4 28 B7R0.2 CC(=CC(C)C)C=O CNP0076574.0 [1,0,0,0,0,0|0,0,0]=1 29 B7R0.2 CC(C)CC(N)C=O CNP0502927.0 [1,0,0,0,0,0|1,0,2]=4 30 B7R0.2 CC(C)CC(N)C=O CNP0510216.0 [1,0,0,0,0,0|1,0,2]=4 31 B7R0.2 CC(C)CC(N)C=O CNP0549122.0 [1,0,0,0,0,0|1,0,2]=4 32 B7R0.2 CC(C)CC(N)C=O CNP0579101.0 [1,0,0,0,0,0|1,0,2]=4 33 B7R0.2 CC(C)CC(N)C=O CNP0579301.0 [1,0,0,0,0,0|1,0,2]=4 34 B7R0.2 CC(C)CC(N)C=O CNP0595026.0 [1,0,0,0,0,0|1,0,2]=4 35 B7R0.2 CC(C)C[C@H](C)C=O CNP0563358.1 [1,0,0,0,0,0|0,0,2]=3 36 B7R0.2 CC(C)NC(=N)NO CNP0506975.0 [1,0,0,0,0,0|3,0,0]=4 37 B7R0.5 C=C(CCN)C(=O)O CNP0291146.0 [1,0,0,0,0,0|1,0,2]=4 38 B7R0.5 C=C(CCO)C(=O)O CNP0185726.0 [1,0,0,0,0,0|1,0,2]=4 39 B7R0.5 C=C(O)C(=O)OCC CNP0311886.0 [1,0,0,0,0,0|3,0,0]=4 40 B7R0.5 C=C=CC(=O)C(=O)O CNP0083854.0 [1,0,0,0,0,0|1,0,2]=4 41 B7R0.5 C=CC=C(O)C(=O)O CNP0566102.0 [1,0,0,0,0,0|1,0,2]=4 42 B7R0.5 CC(=CCO)C(=O)O CNP0200165.0 [1,0,0,0,0,0|1,0,0]=2 43 B7R0.5 CC(=O)C(=CC=O)C CNP0268204.0 [1,0,0,0,0,0|2,0,1]=4 44 B7R0.5 CC=CC(=O)C(=O)O CNP0553247.0 [1,0,0,0,0,0|1,0,1]=3 45 B7R0.5 CC=CC(C)C(=O)O CNP0085321.0 [1,0,0,0,0,0|0,0,2]=3 46 B7R0.5 CCC=C(C)C(=O)O CNP0133224.0 [1,0,0,0,0,0|0,0,0]=1 47 B7R0.5 CCCC(=O)C(=O)C CNP0318298.0 [1,0,0,0,0,0|2,0,1]=4 48 B7R0.5 CCCC(=O)C(=O)N CNP0302137.0 [1,0,0,0,0,0|2,0,1]=4 49 B7R0.5 CCCC(=O)C(=O)O CNP0186110.0 [1,0,0,0,0,0|1,0,1]=3 50 B7R0.5 CCCC(C)C(=O)C CNP0145602.0 [1,0,0,0,0,0|1,0,2]=4 51 B7R0.5 CCC[C@@H](C)C(=O)Cl CNP0181182.1 [1,0,0,0,0,0|1,0,2]=4 52 B7R0.5 CCC[C@@H](C)C(=O)N CNP0263004.1 [1,0,0,0,0,0|1,0,2]=4 53 B7R0.5 CCC[C@@H](C)C(=O)O CNP0218134.2 [1,0,0,0,0,0|0,0,2]=3 54 B7R0.5 CCC[C@@H](N)C(=O)O CNP0198245.2 [1,0,0,0,0,0|1,0,2]=4 55 B7R0.5 CCC[C@H](C)C(=O)Cl CNP0181182.2 [1,0,0,0,0,0|1,0,2]=4 56 B7R0.5 CCC[C@H](C)C(=O)N CNP0263004.2 [1,0,0,0,0,0|1,0,2]=4 57 B7R0.5 CCC[C@H](C)C(=O)O CNP0218134.1 [1,0,0,0,0,0|0,0,2]=3 58 B7R0.5 CCC[C@H](N)C(=O)O CNP0198245.1 [1,0,0,0,0,0|1,0,2]=4 59 B7R0.5 CCC[C@H](O)C(=O)O CNP0107771.1 [1,0,0,0,0,0|1,0,2]=4 60 B7R0.5 CCOC(=O)C(=O)C CNP0125982.0 [1,0,0,0,0,0|3,0,0]=4 61 B7R0.5 CCOC(C)C(=O)C CNP0496996.0 [1,0,0,0,0,0|2,0,1]=4 62 B7R0.5 C[C@@H](CCN)C(=O)O CNP0117278.1 [1,0,0,0,0,0|1,0,2]=4 63 B7R0.5 C[C@H](CCN)C(=O)O CNP0117278.2 [1,0,0,0,0,0|1,0,2]=4 64 B7R0.5 O=C(O)C(=O)CCO CNP0361332.0 [1,0,0,0,0,0|2,0,1]=4 65 B7R0.6 CC(=CC=C(C)C)C CNP0084726.0 [1,0,0,0,0,0|2,0,1]=4 66 B7R0.6 CC(=CCC(=O)O)C CNP0178388.0 [1,0,0,0,0,0|0,0,2]=3 67 B7R0.6 CC(=O)C=CC(=O)C CNP0303603.0 [1,0,0,0,0,0|2,0,1]=4 68 B7R0.6 CC(=O)C=CC(=O)O CNP0237218.0 [1,0,0,0,0,0|1,0,1]=3 69 B7R0.6 CC(=O)C=CC(C)C CNP0282647.0 [1,0,0,0,0,0|1,0,0]=2 70 B7R0.6 CC(=O)CCC(C)C CNP0109911.0 [1,0,0,0,0,0|1,0,2]=4 71 B7R0.6 CC(=O)COC(C)C CNP0500658.0 [1,0,0,0,0,0|2,0,1]=4 72 B7R0.6 CC(=O)NCC(C)C CNP0330824.0 [1,0,0,0,0,0|2,0,1]=4 73 B7R0.6 CC(=O)OCC(C)C CNP0233943.0 [1,0,0,0,0,0|2,0,1]=4 74 B7R0.6 CC(C)C=CC(=O)Cl CNP0373188.0 [1,0,0,0,0,0|1,0,0]=2 75 B7R0.6 CC(C)C=CC(=O)O CNP0205254.0 [1,0,0,0,0,0|0,0,0]=1 76 B7R0.6 CC(C)CCC(=O)Cl CNP0308408.0 [1,0,0,0,0,0|1,0,2]=4 77 B7R0.6 CC(C)CCC(=O)N CNP0148296.0 [1,0,0,0,0,0|1,0,2]=4 78 B7R0.6 CC(C)CCC(=O)O CNP0414918.0 [1,0,0,0,0,0|0,0,2]=3 79 B7R0.6 CC(O)C=CC(C)O CNP0301514.0 [1,0,0,0,0,0|2,0,1]=4 80 B7R0.6 CS(C)CCC(=O)O CNP0168459.0 [1,0,0,0,0,0|1,0,2]=4 81 B7R0.6 C[C@H](O)CCC(=O)O CNP0154959.1 [1,0,0,0,0,0|1,0,2]=4 82 B7R0.6 C[S+](C)CCC(=O)O CNP0349807.0 [1,0,0,0,0,0|1,0,2]=4 83 B7R0.6 C[S+](C)CCC(=O)O CNP0550706.0 [1,0,0,0,0,0|1,0,2]=4 84 B7R0.6 C[S](C)CCC(=O)O CNP0603322.0 [1,0,0,0,0,0|1,0,2]=4 85 B7R0.6 N=C(N)C=CC(=O)O CNP0421555.0 [1,0,0,0,0,0|2,0,1]=4 86 B7R0.6 N=C(O)C=CC(=O)O CNP0546682.0 [1,0,0,0,0,0|2,0,1]=4 87 B7R0.6 NC(=O)C=CC(=O)O CNP0299428.0 [1,0,0,0,0,0|2,0,1]=4 88 B7R0.6 O=C(O)C=CC(=O)O CNP0289193.0 [1,0,0,0,0,0|2,0,1]=4 89 B7R0.6 O=C([O-])C=CC(=O)O CNP0594402.0 [1,0,0,0,0,0|2,0,1]=4 90 B9R0.11 CC(C)C[C@](C)(N)C(=O)O CNP0508050.1 [0,1,0,0,0,0|0,0,2]=3 91 B9R0.23 CC(=NO)C(=O)CC(C)C CNP0240772.0 [0,1,0,0,0,0|2,0,1]=4 92 B9R0.23 CC(C)C[C@H](N)C(=O)NO CNP0527266.1 [0,1,0,0,0,0|1,0,2]=4 93 B9R0.23 CCC(=O)C(=O)CC(C)C CNP0169073.0 [0,1,0,0,0,0|2,0,1]=4 94 B9R0.23 COC(=O)C(=CC(=O)O)C CNP0215692.0 [0,1,0,0,0,0|2,0,1]=4 95 B9R0.23 COC(=O)C(=O)CC(C)C CNP0112927.0 [0,1,0,0,0,0|1,0,1]=3 96 B9R0.23 COC(=O)C(O)CC(C)C CNP0002916.0 [0,1,0,0,0,0|1,0,2]=4 97 B9R0.23 COC(=O)[C@@H](N)CC(C)C CNP0396242.2 [0,1,0,0,0,0|1,0,2]=4 98 B9R0.23 COC(=O)[C@H](N)CC(C)C CNP0396242.3 [0,1,0,0,0,0|1,0,2]=4 99 B9R0.39 CC(=O)C(=NO)CC(C)C CNP0159889.0 [0,1,0,0,0,0|2,0,1]=4 100 B9R0.39 CC(C)CC(=NO)C(=O)O CNP0082072.0 [0,1,0,0,0,0|1,0,1]=3 101 B9R0.39 CC(C)C[C@H](CS)C(=O)O CNP0552344.1 [0,1,0,0,0,0|0,0,2]=3 102 B9R0.39 CC(C)C[C@H](NO)C(=O)O CNP0205469.1 [0,1,0,0,0,0|1,0,2]=4 103 B9R0.39 CC(C)N[C@@H](CS)C(=O)O CNP0565141.1 [0,1,0,0,0,0|1,0,1]=3 104 B9R0.39 CN[C@@H](CC(C)C)C(=O)O CNP0299896.1 [0,1,0,0,0,0|0,0,2]=3 105 B9R0.39 CN[C@H](CC(C)C)C(=O)O CNP0299896.2 [0,1,0,0,0,0|0,0,2]=3 106 B9R0.39 COC(=CC(=O)O)C(=O)O CNP0187597.0 [0,1,0,0,0,0|2,0,1]=4 107 B9R0.39 CO[C@@H](C[S+](C)C)C(=O)O CNP0328625.1 [0,1,0,0,0,0|1,0,2]=4 108 B9R0.42 CC(C=O)OC(C)C(=O)O CNP0502212.0 [0,1,0,0,0,0|1,0,2]=4 109 B9R0.42 CCC(C)C[C@H](N)C(=O)O CNP0257538.2 [0,1,0,0,0,0|1,0,2]=4 110 B9R0.42 CC[C@@H](C)/C=C(\C)/C(=O)C CNP0235309.1 [0,1,0,0,0,0|1,0,0]=2 111 B9R0.42 CC[C@H](C)/C=C(\C)/C(=O)C CNP0235309.2 [0,1,0,0,0,0|1,0,0]=2 112 B9R0.42 CC[C@H](C)C[C@H](N)C(=O)O CNP0257538.1 [0,1,0,0,0,0|1,0,2]=4 113 B9R0.42 C[C@H](CCl)C[C@H](N)C(=O)O CNP0213488.1 [0,1,0,0,0,0|1,0,2]=4 114 B9R0.42 NC[C@H](O)CC(=O)C(=O)O CNP0566698.1 [0,1,0,0,0,0|2,0,1]=4 115 B9R0.57 CC(C)(O)C[C@H](N)C(=O)O CNP0190763.1 [0,1,0,0,0,0|1,0,2]=4 116 B9R0.79 CC(=C(C)C(=O)O)C(=O)O CNP0229389.0 [0,1,0,0,0,0|2,0,1]=4 117 B9R0.79 CC(=O)[C@@H](C)C(=O)C(C)C CNP0250974.2 [0,1,0,0,0,0|1,0,1]=3 118 B9R0.79 CC(=O)[C@H](C)C(=O)C(C)C CNP0250974.1 [0,1,0,0,0,0|1,0,1]=3 119 B9R0.79 CC(C)C(C)C(C)C(=O)O CNP0612187.0 [0,1,0,0,0,0|0,0,2]=3 120 B9R0.79 CC(C)N(O)C(=O)C(=O)O CNP0493755.0 [0,1,0,0,0,0|2,0,0]=3 121 B9R0.79 CC(C)[C@@H](O)[C@H](N)C(=O)O CNP0145515.1 [0,1,0,0,0,0|1,0,2]=4 122 B9R0.79 CC(C)[C@H](O)[C@H](N)C(=O)O CNP0145515.2 [0,1,0,0,0,0|1,0,2]=4 123 B9R1.35 CC1=CC(=CO1)C(=O)O CNP0306402.0 [0,0,0,1,0,0|1,0,2]=4 124 B9R1.35 CC1=CC(=NO1)C(=O)O CNP0309988.0 [0,0,0,1,0,0|2,0,1]=4 125 B9R1.35 CC1=CNC(=C1)C(=O)O CNP0109431.0 [0,0,0,1,0,0|1,0,2]=4 126 B9R1.35 CC1=COC(=C1)C(=O)O CNP0234380.0 [0,0,0,1,0,0|1,0,2]=4 127 B9R1.35 CN1CCC(C1)C(=O)O CNP0077151.0 [0,0,0,1,0,0|1,0,2]=4 128 B9R1.35 C[C@@H]1CC[C@@H](C1)C(=O)O CNP0315118.1 [0,0,0,1,0,0|0,0,2]=3 129 B9R1.35 C[C@@H]1CN[C@@H](C1)C(=O)O CNP0293874.4 [0,0,0,1,0,0|1,0,2]=4 130 B9R1.35 C[C@@H]1CN[C@H](C1)C(=O)O CNP0293874.2 [0,0,0,1,0,0|1,0,2]=4 131 B9R1.35 C[C@H]1CC[C@H](N1)C(=O)O CNP0140199.1 [0,0,0,1,0,0|1,0,1]=3 132 B9R1.35 C[C@H]1CN[C@@H](C1)C(=O)O CNP0293874.3 [0,0,0,1,0,0|1,0,2]=4 133 B9R1.35 C[C@H]1CN[C@H](C1)C(=O)O CNP0293874.1 [0,0,0,1,0,0|1,0,2]=4 134 B9R1.35 NC1CCC(C1)C(=O)O CNP0035427.0 [0,0,0,1,0,0|1,0,2]=4 135 B9R1.35 O=C(O)C1=NCC(C1)O CNP0083616.0 [0,0,0,1,0,0|2,0,1]=4 136 B9R1.36 CC1=CC(N=C1O)(C)C CNP0570737.0 [0,0,0,1,0,0|1,0,0]=2 137 B9R1.36 CC1=C[C@@](OC1=O)(C)O CNP0149675.1 [0,0,0,1,0,0|1,0,0]=2 138 B9R1.36 C[C@H]1CC(CC1=O)(C)C CNP0151852.1 [0,0,0,1,0,0|1,0,2]=4 139 B9R1.69 CC1=CC=C(C(=C1)C)O CNP0080029.0 [0,0,0,1,0,0|1,0,2]=4 140 B9R1.112 C[C@H](NC1CC1)C(=O)O CNP0492619.1 [0,0,0,1,0,0|1,0,1]=3 141 B9R1.112 N[C@@H](CC1CC1)C(=O)O CNP0115257.1 [0,0,0,1,0,0|1,0,2]=4 142 B9R1.161 C[S+](C)C1CC1C(=O)O CNP0340277.0 [0,0,0,1,0,0|1,0,2]=4 143 B7R0.16 C=C(C(=O)O)[C@@H](C)O CNP0180552.2 [0,0,0,0,1,0|1,0,1]=3 144 B7R0.16 C=C(C(=O)O)[C@H](C)O CNP0180552.1 [0,0,0,0,1,0|1,0,1]=3 145 B7R0.16 C=C(C)C(=O)C(C)C CNP0611996.0 [0,0,0,0,1,0|3,0,0]=4 146 B7R0.16 CC(=C(C)C(=O)O)C CNP0298281.0 [0,0,0,0,1,0|0,0,1]=2 147 B7R0.16 CC(=C(O)C(=O)O)C CNP0081972.0 [0,0,0,0,1,0|1,0,1]=3 148 B7R0.16 CC(=O)C(=N)C(=O)O CNP0486933.0 [0,0,0,0,1,0|2,0,1]=4 149 B7R0.16 CC(=O)C(=O)C(C)C CNP0264212.0 [0,0,0,0,1,0|2,0,0]=3 150 B7R0.16 CC(=O)C(C)C(=O)O CNP0002342.0 [0,0,0,0,1,0|1,0,2]=4 151 B7R0.16 CC(=O)C(S)C(C)C CNP0012295.0 [0,0,0,0,1,0|2,0,1]=4 152 B7R0.16 CC(=O)N(C)C(C)C CNP0111110.0 [0,0,0,0,1,0|2,0,0]=3 153 B7R0.16 CC(=O)[C@@H](Br)C(C)C CNP0046833.1 [0,0,0,0,1,0|2,0,1]=4 154 B7R0.16 CC(=O)[C@H](Br)C(C)C CNP0046833.2 [0,0,0,0,1,0|2,0,1]=4 155 B7R0.16 CC(C)C(=O)C(=O)N CNP0124089.0 [0,0,0,0,1,0|2,0,0]=3 156 B7R0.16 CC(C)C(=O)C(=O)O CNP0207859.0 [0,0,0,0,1,0|1,0,0]=2 157 B7R0.16 CC(C)C(=O)C(C)O CNP0291790.0 [0,0,0,0,1,0|2,0,1]=4 158 B7R0.16 CC(C)[C@@H](N)C(=O)O CNP0152507.2 [0,0,0,0,1,0|1,0,1]=3 159 B7R0.16 CC(C)[C@@H](O)C(=O)N CNP0311908.1 [0,0,0,0,1,0|2,0,1]=4 160 B7R0.16 CC(C)[C@@H](O)C(=O)O CNP0267024.1 [0,0,0,0,1,0|1,0,1]=3 161 B7R0.16 CC(C)[C@H](N)C(=O)O CNP0152507.1 [0,0,0,0,1,0|1,0,1]=3 162 B7R0.16 CC(C)[C@H](O)C(=O)O CNP0267024.2 [0,0,0,0,1,0|1,0,1]=3 163 B7R0.16 CN(C)C(=O)C(=O)O CNP0288655.0 [0,0,0,0,1,0|2,0,0]=3 164 B7R0.16 C[C@@H](Br)[C@@H](Br)C(=O)O CNP0447694.2 [0,0,0,0,1,0|2,0,1]=4 165 B7R0.16 C[C@@H](Br)[C@H](Br)C(=O)O CNP0447694.4 [0,0,0,0,1,0|2,0,1]=4 166 B7R0.16 C[C@@H](C(=O)O)N(C)C CNP0605647.1 [0,0,0,0,1,0|1,0,1]=3 167 B7R0.16 C[C@@H](N)[C@@H](N)C(=O)O CNP0271750.2 [0,0,0,0,1,0|2,0,1]=4 168 B7R0.16 C[C@@H](N)[C@H](N)C(=O)O CNP0271750.3 [0,0,0,0,1,0|2,0,1]=4 169 B7R0.16 C[C@@H](O)C(=O)C(=O)O CNP0287171.1 [0,0,0,0,1,0|2,0,0]=3 170 B7R0.16 C[C@@H](O)C(N)C(=O)O CNP0361197.2 [0,0,0,0,1,0|2,0,1]=4 171 B7R0.16 C[C@@H](O)[C@@H](C)C(=O)O CNP0176980.1 [0,0,0,0,1,0|1,0,1]=3 172 B7R0.16 C[C@@H](O)[C@@H](N)C(=O)O CNP0361197.5 [0,0,0,0,1,0|2,0,1]=4 173 B7R0.16 C[C@@H](O)[C@@H](O)C(=O)O CNP0082312.1 [0,0,0,0,1,0|2,0,1]=4 174 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O CNP0361197.1 [0,0,0,0,1,0|2,0,1]=4 175 B7R0.16 C[C@@H](O)[C@H](O)C(=O)O CNP0082312.2 [0,0,0,0,1,0|2,0,1]=4 176 B7R0.16 C[C@@H](S)[C@@H](N)C(=O)O CNP0290431.3 [0,0,0,0,1,0|2,0,1]=4 177 B7R0.16 C[C@@H](S)[C@H](N)C(=O)O CNP0290431.1 [0,0,0,0,1,0|2,0,1]=4 178 B7R0.16 C[C@H](Br)[C@@H](Br)C(=O)O CNP0447694.1 [0,0,0,0,1,0|2,0,1]=4 179 B7R0.16 C[C@H](Br)[C@H](Br)C(=O)O CNP0447694.3 [0,0,0,0,1,0|2,0,1]=4 180 B7R0.16 C[C@H](C(=O)O)[C@@H](C)O CNP0176980.3 [0,0,0,0,1,0|1,0,1]=3 181 B7R0.16 C[C@H](N)[C@@H](N)C(=O)O CNP0271750.4 [0,0,0,0,1,0|2,0,1]=4 182 B7R0.16 C[C@H](N)[C@H](N)C(=O)O CNP0271750.1 [0,0,0,0,1,0|2,0,1]=4 183 B7R0.16 C[C@H](O)[C@@H](C)C(=O)O CNP0176980.2 [0,0,0,0,1,0|1,0,1]=3 184 B7R0.16 C[C@H](O)[C@@H](N)C(=O)O CNP0361197.4 [0,0,0,0,1,0|2,0,1]=4 185 B7R0.16 C[C@H](O)[C@H](C)C(=O)O CNP0176980.4 [0,0,0,0,1,0|1,0,1]=3 186 B7R0.16 C[C@H](O)[C@H](N)C(=O)O CNP0361197.3 [0,0,0,0,1,0|2,0,1]=4 187 B7R0.16 C[C@H](S)[C@@H](N)C(=O)O CNP0290431.2 [0,0,0,0,1,0|2,0,1]=4 188 B7R0.16 C[C@H](S)[C@H](N)C(=O)O CNP0290431.4 [0,0,0,0,1,0|2,0,1]=4 189 B7R0.16 [13CH3][13CH]([13CH3])[13C@H]([15NH2])[13C](=O)O CNP0152507.4 [0,0,0,0,1,0|1,0,1]=3 190 B9R0.7 CC(=CCC(=O)O)C(=O)O CNP0023661.0 [0,0,0,0,0,1|2,0,1]=4 191 B9R0.7 CC(=CC[C@H](N)C(=O)O)C CNP0216742.1 [0,0,0,0,0,1|1,0,2]=4 192 B9R0.7 CC(=O)NN=C(C)C(=O)O CNP0443489.0 [0,0,0,0,0,1|2,0,1]=4 193 B9R0.7 CC(C)CC[C@H](N)C(=O)O CNP0116555.1 [0,0,0,0,0,1|1,0,2]=4 194 B9R0.7 CC(C)OCC(N)C(=O)O CNP0593258.0 [0,0,0,0,0,1|1,0,2]=4 195 B9R0.53 CC(=CC(=O)O)CC(=O)O CNP0273372.0 [0,0,0,0,0,1|2,0,1]=4 196 B9R0.53 CC(=O)C=C(C)OC(=O)C CNP0367502.0 [0,0,0,0,0,1|2,0,1]=4 197 B9R0.53 CC(=O)C[C@@H](C)CC(C)C CNP0357030.1 [0,0,0,0,0,1|1,0,2]=4 198 B9R0.53 CC(=O)O[C@H](C)CC(C)C CNP0489311.1 [0,0,0,0,0,1|1,0,2]=4 199 B9R0.53 CC(C)CC(N)CC(=O)O CNP0415809.0 [0,0,0,0,0,1|1,0,2]=4 200 B9R0.53 CC(C)CC(O)CC(=O)O CNP0002352.0 [0,0,0,0,0,1|1,0,2]=4 201 B9R0.53 C[C@H](N)CC(=O)CC(=O)O CNP0136260.1 [0,0,0,0,0,1|2,0,1]=4 202 B6R0.1 CC(=CCO)CO CNP0277047.0 [2,0,0,0,0,0|1,0,1]=4 203 B6R0.1 CC=CC(=CC)C CNP0535908.0 [2,0,0,0,0,0|1,0,1]=4 204 B6R0.1 CCC=C(C)C=O CNP0245615.0 [2,0,0,0,0,0|0,0,0]=2 205 B6R0.1 CCC=C(C)CO CNP0511576.0 [2,0,0,0,0,0|0,0,1]=3 206 B6R0.1 CCCC(=NO)C CNP0211014.0 [2,0,0,0,0,0|1,0,1]=4 207 B6R0.1 CCCC(=O)C=O CNP0111121.0 [2,0,0,0,0,0|1,0,1]=4 208 B6R0.1 CCC[C@@H](C)C=O CNP0370387.1 [2,0,0,0,0,0|0,0,2]=4 209 B6R0.1 CCOC(=O)C=O CNP0218484.0 [2,0,0,0,0,0|2,0,0]=4 210 B6R0.2 CC(=CC(=O)Cl)C CNP0301599.0 [2,0,0,0,0,0|1,0,1]=4 211 B6R0.2 CC(=CC(=O)N)C CNP0186116.0 [2,0,0,0,0,0|1,0,1]=4 212 B6R0.2 CC(=CC(=O)O)C CNP0191929.0 [2,0,0,0,0,0|1,0,1]=4 213 B6R0.2 CC(=CC(C)C)C CNP0084966.0 [2,0,0,0,0,0|0,0,1]=3 214 B6R0.2 CC(=C[13C](=O)C)C CNP0541964.0 [2,0,0,0,0,0|0,0,1]=3 215 B6R0.2 CC(=O)C=C(C)C CNP0258331.0 [2,0,0,0,0,0|0,0,1]=3 216 B6R0.2 CC(=O)C=C(C)O CNP0344390.0 [2,0,0,0,0,0|1,0,1]=4 217 B6R0.2 CC(=O)CC(C)C CNP0178924.0 [2,0,0,0,0,0|0,0,1]=3 218 B6R0.2 CC(=O)C[C@@H](C)O CNP0209002.1 [2,0,0,0,0,0|1,0,1]=4 219 B6R0.2 CC(=O)C[C@H](C)O CNP0209002.2 [2,0,0,0,0,0|1,0,1]=4 220 B6R0.2 CC(=O)OC(C)C CNP0234567.0 [2,0,0,0,0,0|1,0,0]=3 221 B6R0.2 CC(=S)OC(C)C CNP0539735.0 [2,0,0,0,0,0|1,1,0]=4 222 B6R0.2 CC(C)CC(=O)N CNP0512695.0 [2,0,0,0,0,0|1,0,1]=4 223 B6R0.2 CC(C)CC(C)O CNP0493734.0 [2,0,0,0,0,0|0,0,2]=4 224 B6R0.2 CC(C)NC(=O)N CNP0331187.0 [2,0,0,0,0,0|2,0,0]=4 225 B6R0.2 C[C@H]([13CH3])CC(=O)O CNP0175489.1 [2,0,0,0,0,0|1,0,1]=4 226 B6R0.4 C=CC=CC(=O)O CNP0076475.0 [2,0,0,0,0,0|0,0,2]=4 227 B6R0.4 CC(=CCC=O)C CNP0094675.0 [2,0,0,0,0,0|0,0,2]=4 228 B6R0.4 CC(C)C=CC=O CNP0003528.0 [2,0,0,0,0,0|0,0,0]=2 229 B6R0.4 CC(C)CC=NO CNP0235743.0 [2,0,0,0,0,0|1,0,1]=4 230 B6R0.4 CC(C)CCC=O CNP0198082.0 [2,0,0,0,0,0|0,0,2]=4 231 B6R0.4 CC(C)CNC=O CNP0473867.0 [2,0,0,0,0,0|1,0,1]=4 232 B6R0.4 CC(C)COC=O CNP0232692.0 [2,0,0,0,0,0|1,0,1]=4 233 B6R0.4 CC=CC=C(C)C CNP0318303.0 [2,0,0,0,0,0|1,0,1]=4 234 B6R0.4 CC=CCC(=O)O CNP0610144.0 [2,0,0,0,0,0|0,0,2]=4 235 B6R0.4 CC=CCC(C)C CNP0081831.0 [2,0,0,0,0,0|1,0,1]=4 236 B6R0.4 CCC=CC(=O)C CNP0129352.0 [2,0,0,0,0,0|1,0,0]=3 237 B6R0.4 CCC=CC(=O)O CNP0185292.0 [2,0,0,0,0,0|0,0,0]=2 238 B6R0.4 CCCC=C(C)O CNP0268446.0 [2,0,0,0,0,0|1,0,1]=4 239 B6R0.4 CCCCC(=O)O CNP0144818.0 [2,0,0,0,0,0|0,0,2]=4 240 B6R0.4 CCCC[11C](=O)O CNP0540258.0 [2,0,0,0,0,0|0,0,2]=4 241 B6R0.4 CCNCC(=O)O CNP0076362.0 [2,0,0,0,0,0|1,0,1]=4 242 B6R0.4 CCOCC(=O)O CNP0229583.0 [2,0,0,0,0,0|1,0,1]=4 243 B6R0.4 CSC=CC(=O)N CNP0140289.0 [2,0,0,0,0,0|2,0,0]=4 244 B6R0.4 CSC=CC(=O)O CNP0140653.0 [2,0,0,0,0,0|1,0,0]=3 245 B6R0.4 NCC=CC(=O)O CNP0250683.0 [2,0,0,0,0,0|1,0,0]=3 246 B6R0.4 O=C(O)C=CCO CNP0097506.0 [2,0,0,0,0,0|1,0,0]=3 247 B6R0.3 C=C(CC)C(=O)O CNP0082368.0 [2,0,0,0,0,0|0,0,1]=3 248 B6R0.3 C=C(CN)C(=O)O CNP0223341.0 [2,0,0,0,0,0|1,0,1]=4 249 B6R0.3 C=C(NC)C(=O)O CNP0542368.0 [2,0,0,0,0,0|1,0,1]=4 250 B6R0.3 C=CC(=O)C(=O)O CNP0593167.0 [2,0,0,0,0,0|1,0,1]=4 251 B6R0.3 CC(=NO)C(=O)O CNP0205729.0 [2,0,0,0,0,0|2,0,0]=4 252 B6R0.3 CC=C(C)C(=O)C CNP0119709.0 [2,0,0,0,0,0|1,0,0]=3 253 B6R0.3 CC=C(C)C(=O)N CNP0399229.0 [2,0,0,0,0,0|1,0,0]=3 254 B6R0.3 CC=C(C)C(=O)O CNP0238363.0 [2,0,0,0,0,0|0,0,0]=2 255 B6R0.3 CC=C(N)C(=O)O CNP0146934.0 [2,0,0,0,0,0|1,0,0]=3 256 B6R0.3 CCC(=C(C)C)C CNP0076862.0 [2,0,0,0,0,0|2,0,0]=4 257 B6R0.3 CCC(=O)C(=O)C CNP0311036.0 [2,0,0,0,0,0|2,0,0]=4 258 B6R0.3 CCC(=O)C(=O)O CNP0283357.0 [2,0,0,0,0,0|1,0,0]=3 259 B6R0.3 CC[C@@H](C)C(=O)C CNP0151175.1 [2,0,0,0,0,0|1,0,1]=4 260 B6R0.3 CC[C@@H](C)C(=O)Cl CNP0146254.2 [2,0,0,0,0,0|1,0,1]=4 261 B6R0.3 CC[C@@H](C)C(=O)N CNP0157695.1 [2,0,0,0,0,0|1,0,1]=4 262 B6R0.3 CC[C@@H](C)C(=O)O CNP0187792.1 [2,0,0,0,0,0|0,0,1]=3 263 B6R0.3 CC[C@@H](N)C(=O)O CNP0243222.1 [2,0,0,0,0,0|1,0,1]=4 264 B6R0.3 CC[C@@H](O)C(=O)O CNP0162708.1 [2,0,0,0,0,0|1,0,1]=4 265 B6R0.3 CC[C@H](C)C(=O)C CNP0151175.2 [2,0,0,0,0,0|1,0,1]=4 266 B6R0.3 CC[C@H](C)C(=O)Cl CNP0146254.1 [2,0,0,0,0,0|1,0,1]=4 267 B6R0.3 CC[C@H](C)C(=O)N CNP0157695.2 [2,0,0,0,0,0|1,0,1]=4 268 B6R0.3 CC[C@H](C)C(=O)O CNP0187792.2 [2,0,0,0,0,0|0,0,1]=3 269 B6R0.3 CC[C@H](N)C(=O)O CNP0243222.3 [2,0,0,0,0,0|1,0,1]=4 270 B6R0.3 CC[C@H](O)C(=O)O CNP0162708.2 [2,0,0,0,0,0|1,0,1]=4 271 B6R0.3 CNC(=O)C(=O)O CNP0336017.0 [2,0,0,0,0,0|2,0,0]=4 272 B6R0.3 CN[C@@H](C)C(=O)O CNP0126063.1 [2,0,0,0,0,0|1,0,1]=4 273 B6R0.3 CN[C@H](C)C(=O)O CNP0126063.2 [2,0,0,0,0,0|1,0,1]=4 274 B6R0.3 COC(=O)C(=O)O CNP0117987.0 [2,0,0,0,0,0|2,0,0]=4 275 B6R0.3 C[C@@H](C=O)C(=O)O CNP0083546.1 [2,0,0,0,0,0|1,0,1]=4 276 B6R0.3 C[C@@H](CN)C(=O)O CNP0291505.1 [2,0,0,0,0,0|1,0,1]=4 277 B6R0.3 C[C@@H](CO)C(=O)O CNP0257203.1 [2,0,0,0,0,0|1,0,1]=4 278 B6R0.3 C[C@H](CN)C(=O)O CNP0291505.2 [2,0,0,0,0,0|1,0,1]=4 279 B6R0.3 C[C@H](CO)C(=O)O CNP0257203.2 [2,0,0,0,0,0|1,0,1]=4 280 B6R0.3 O=C(O)C(=CBr)Br CNP0109651.0 [2,0,0,0,0,0|2,0,0]=4 281 B6R0.3 O=C(O)C(=CCl)Cl CNP0278545.0 [2,0,0,0,0,0|2,0,0]=4 282 B6R0.3 O=C(O)C(=CI)I CNP0209094.0 [2,0,0,0,0,0|2,0,0]=4 283 B6R0.3 O=C(O)C(=CO)O CNP0197473.0 [2,0,0,0,0,0|2,0,0]=4 284 B6R0.3 O=C(O)C(=O)CO CNP0343498.0 [2,0,0,0,0,0|2,0,0]=4 285 B6R0.3 O=C(O)C(=O)CS CNP0172399.0 [2,0,0,0,0,0|2,0,0]=4 286 B6R0.3 O=CC(=O)C(=O)O CNP0106243.0 [2,0,0,0,0,0|2,0,0]=4 287 B8R0.5 CC(=CC=O)CC(C)C CNP0364248.0 [1,1,0,0,0,0|0,0,1]=3 288 B8R0.19 CC=C(C)C=C(C)C=O CNP0259001.0 [1,1,0,0,0,0|0,0,1]=3 289 B8R0.19 CC=C(C)C=C(C)CO CNP0307713.0 [1,1,0,0,0,0|0,0,2]=4 290 B8R0.24 CC(=NO)CC(C)(C)N CNP0278445.0 [1,1,0,0,0,0|1,0,1]=4 291 B8R0.24 CC(=NO)CC(C)(C)O CNP0122386.0 [1,1,0,0,0,0|1,0,1]=4 292 B8R0.24 CC=C(C)CC(C)(C)C CNP0003427.0 [1,1,0,0,0,0|1,0,1]=4 293 B8R0.3 CCC=C(C)C(=O)CC CNP0523959.0 [1,1,0,0,0,0|1,0,0]=3 294 B8R0.3 CCC[C@H](C)C(=O)OC CNP0002914.1 [1,1,0,0,0,0|0,0,2]=4 295 B8R0.8 CC=CC=C(C)C(=O)O CNP0232532.0 [1,1,0,0,0,0|0,0,1]=3 296 B8R0.8 CC=CCC(=O)C(=O)O CNP0039231.0 [1,1,0,0,0,0|1,0,1]=4 297 B8R0.8 CCCC=C(C)C(=O)C CNP0077419.0 [1,1,0,0,0,0|1,0,0]=3 298 B8R0.8 CCCC=C(C)C(=O)O CNP0589734.0 [1,1,0,0,0,0|0,0,0]=2 299 B8R0.8 CCCCC(=O)C(=O)O CNP0301313.0 [1,1,0,0,0,0|1,0,1]=4 300 B8R0.8 CCCC[C@@H](C)C(=O)O CNP0131779.1 [1,1,0,0,0,0|0,0,2]=4 301 B8R0.8 CSCCC(=O)C(=O)O CNP0135111.0 [1,1,0,0,0,0|1,0,1]=4 302 B8R0.8 C[C@@H](CCCN)C(=O)O CNP0300742.1 [1,1,0,0,0,0|0,0,2]=4 303 B8R0.8 C[C@H](NCCO)C(=O)O CNP0270315.1 [1,1,0,0,0,0|1,0,1]=4 304 B8R0.8 NCCCC(=O)C(=O)O CNP0082812.0 [1,1,0,0,0,0|1,0,1]=4 305 B8R0.12 CCCC(C)(C)C(=O)O CNP0611680.0 [1,1,0,0,0,0|0,0,2]=4 306 B8R0.12 CCC[C@@](C)(N)C(=O)O CNP0501927.2 [1,1,0,0,0,0|0,0,2]=4 307 B8R0.12 CCC[C@](C)(N)C(=O)O CNP0501927.1 [1,1,0,0,0,0|0,0,2]=4 308 B8R0.12 CCNC(C)(C)C(=O)O CNP0575381.0 [1,1,0,0,0,0|1,0,1]=4 309 B8R0.12 CCOC(C)(C)C(=O)O CNP0379158.0 [1,1,0,0,0,0|1,0,1]=4 310 B8R0.15 C=C(C)C(=CCC)CC CNP0487408.0 [1,1,0,0,0,0|2,0,0]=4 311 B8R0.15 CC=CC(CC)C(=O)O CNP0529295.0 [1,1,0,0,0,0|0,0,2]=4 312 B8R0.15 CCC[C@@H](NC)C(=O)O CNP0223664.1 [1,1,0,0,0,0|0,0,2]=4 313 B8R0.9 CC(=O)C=CC(=O)CO CNP0106535.0 [1,1,0,0,0,0|1,0,1]=4 314 B8R0.9 CCC(C)C=CC(=O)C CNP0546315.0 [1,1,0,0,0,0|1,0,0]=3 315 B8R0.9 CCC(O)C=CC(=O)O CNP0352408.0 [1,1,0,0,0,0|1,0,0]=3 316 B8R0.9 CC[C@@H](C)/C=C/C(=O)O CNP0190272.2 [1,1,0,0,0,0|0,0,0]=2 317 B8R0.9 CC[C@@H](O)C=CC(=O)O CNP0352408.1 [1,1,0,0,0,0|1,0,0]=3 318 B8R0.9 CC[C@H](C)/C=C/C(=O)O CNP0190272.1 [1,1,0,0,0,0|0,0,0]=2 319 B8R0.9 CC[C@H](C)CCC(=O)O CNP0326615.1 [1,1,0,0,0,0|0,0,2]=4 320 B8R0.9 COC(=O)C=CC(=O)O CNP0273242.0 [1,1,0,0,0,0|1,0,1]=4 321 B8R0.9 COC(=O)CC=C(C)C CNP0248108.0 [1,1,0,0,0,0|0,0,2]=4 322 B8R0.9 COC(=O)CCC(C)C CNP0318638.0 [1,1,0,0,0,0|0,0,2]=4 323 B8R0.29 CC(=O)C=CC(C)(C)O CNP0364954.0 [1,1,0,0,0,0|1,0,0]=3 324 B8R0.29 CC(C)(O)C=CC(=O)O CNP0293177.0 [1,1,0,0,0,0|0,0,0]=2 325 B8R0.29 C[C@@H](O)/C=C/C(C)(C)O CNP0384905.1 [1,1,0,0,0,0|1,0,1]=4 326 B8R0.18 CC(C)[C@H](NO)C(=O)O CNP0082684.1 [0,1,0,0,1,0|1,0,1]=4 327 B8R0.18 CCC(C(=O)O)C(C)C CNP0474266.0 [0,1,0,0,1,0|0,0,1]=3 328 B8R0.18 CCC(C(=O)O)C(C)O CNP0376604.0 [0,1,0,0,1,0|1,0,1]=4 329 B8R0.18 CN(C)[C@@H](CO)C(=O)O CNP0113680.1 [0,1,0,0,1,0|1,0,1]=4 330 B8R0.18 CN[C@@H](C(=O)O)C(C)C CNP0239286.1 [0,1,0,0,1,0|0,0,1]=3 331 B8R0.18 CN[C@@H](C(=O)O)[C@@H](C)O CNP0147674.2 [0,1,0,0,1,0|1,0,1]=4 332 B8R0.18 CN[C@H](C(=O)O)C(C)C CNP0239286.2 [0,1,0,0,1,0|0,0,1]=3 333 B8R0.18 CN[C@H](C(=O)O)[C@@H](C)O CNP0147674.1 [0,1,0,0,1,0|1,0,1]=4 334 B8R0.18 CN[C@H](C(=O)O)[C@H](C)O CNP0147674.3 [0,1,0,0,1,0|1,0,1]=4 335 B8R0.18 [C-]#[N+][C@H](C(=O)O)C(C)C CNP0500576.1 [0,1,0,0,1,0|0,0,2]=4 336 B8R0.27 CC(C)(C)[C@@H](N)C(=O)O CNP0182487.1 [0,1,0,0,1,0|1,0,1]=4 337 B8R0.27 CC(C)(C)[C@H](N)C(=O)O CNP0182487.2 [0,1,0,0,1,0|1,0,1]=4 338 B8R0.27 CC(C)(N)[C@@H](O)C(=O)O CNP0191312.1 [0,1,0,0,1,0|1,0,1]=4 339 B8R0.27 CC(C)(O)[C@@H](O)C(=O)O CNP0224141.1 [0,1,0,0,1,0|1,0,1]=4 340 B8R0.27 CC(C)(O)[C@H](N)C(=O)O CNP0258599.1 [0,1,0,0,1,0|1,0,1]=4 341 B8R0.27 CC(C)(O)[C@H](O)C(=O)O CNP0224141.2 [0,1,0,0,1,0|1,0,1]=4 342 B8R0.27 CC(C)(S)[C@@H](N)C(=O)O CNP0419440.1 [0,1,0,0,1,0|1,0,1]=4 343 B8R0.27 CC(C)(S)[C@H](N)C(=O)O CNP0419440.2 [0,1,0,0,1,0|1,0,1]=4 344 B8R0.37 CC(C)[C@@](N)(O)C(=O)O CNP0185848.1 [0,1,0,0,1,0|1,0,1]=4 345 B8R0.37 CC(C)[C@](N)(O)C(=O)O CNP0185848.2 [0,1,0,0,1,0|1,0,1]=4 346 B8R0.37 CC(O)C(C)(C)C(=O)O CNP0082064.0 [0,1,0,0,1,0|1,0,1]=4 347 B8R0.37 CN(C)C(C)(C)C(=O)O CNP0482978.0 [0,1,0,0,1,0|1,0,1]=4 348 B8R0.37 C[C@@H](O)[C@](C)(O)C(=O)O CNP0265434.2 [0,1,0,0,1,0|1,0,1]=4 349 B8R0.37 C[C@H](O)[C@@](C)(O)C(=O)O CNP0265434.3 [0,1,0,0,1,0|1,0,1]=4 350 B8R0.37 C[C@H](O)[C@](C)(O)C(=O)O CNP0265434.1 [0,1,0,0,1,0|1,0,1]=4 351 B10R0.13 CC(=O)[C@H](C)C(=O)CC(C)C CNP0277115.1 [0,1,0,0,0,1|1,0,1]=4 352 B10R0.43 CC(C)CC[C@@](C)(N)C(=O)O CNP0574923.1 [0,1,0,0,0,1|0,0,2]=4 353 B10R0.43 CC(C)CC[C@](C)(N)C(=O)O CNP0574923.2 [0,1,0,0,0,1|0,0,2]=4 354 B10R0.57 COC(=O)C(=COC(=O)C)C CNP0073278.0 [0,1,0,0,0,1|1,0,1]=4 355 B10R0.84 CC(C)SN[C@@H](CS)C(=O)O CNP0500626.1 [0,1,0,0,0,1|1,0,1]=4 356 B10R0.93 C[C@@H](N)C(=O)N[C@H](C)C(=O)O CNP0191496.1 [0,1,0,0,0,1|1,0,1]=4 357 B10R0.93 C[C@H](N)C(=O)N[C@@H](C)C(=O)O CNP0191496.2 [0,1,0,0,0,1|1,0,1]=4 358 B10R0.93 C[C@H](O)C(=O)CC(=O)C(=O)O CNP0161432.1 [0,1,0,0,0,1|2,0,0]=4 359 B10R0.31 CC(=O)C=C(C)CC(C)(C)O CNP0396167.0 [0,1,0,0,0,1|1,0,1]=4 360 B10R0.70 CC(C)C[C@@H](CN)CC(=O)O CNP0034778.2 [0,1,0,0,0,1|0,0,2]=4 361 B10R0.70 CC(C)C[C@H](CN)CC(=O)O CNP0034778.1 [0,1,0,0,0,1|0,0,2]=4 362 B10R0.46 CCC(=O)/C(=C/[C@@H](C)CC)/C CNP0207497.1 [0,2,0,0,0,0|1,0,0]=3 363 B10R0.46 COC(=O)C(C)CC(C)CO CNP0593548.0 [0,2,0,0,0,0|0,0,2]=4 364 B10R0.46 COC(=O)C=C(C)C(=O)OC CNP0198897.0 [0,2,0,0,0,0|1,0,1]=4 365 B10R0.76 CNC(C(=O)O)C(C)C(C)C CNP0232958.0 [0,2,0,0,0,0|0,0,2]=4 366 B10R0.95 CN[C@@H](CC(C)(C)C)C(=O)O CNP0503453.2 [0,2,0,0,0,0|0,0,2]=4 367 B10R0.95 CN[C@H](CC(C)(C)C)C(=O)O CNP0503453.1 [0,2,0,0,0,0|0,0,2]=4 368 B10R0.162 CC(C)CC(C(=O)O)C(C)C CNP0510009.0 [0,2,0,0,0,0|0,0,2]=4 369 B10R0.162 CC(C)C[C@@H](C(=O)O)N(C)C CNP0583312.1 [0,2,0,0,0,0|0,0,2]=4 370 B10R0.26 CCOC(C)OC(C)C(=O)O CNP0445078.0 [0,2,0,0,0,0|1,0,1]=4 371 B8R1.1 CC=C1C=C(CC1)C CNP0076579.0 [1,0,0,1,0,0|1,0,1]=4 372 B8R1.4 CC1=CC(CCC1)C CNP0085833.0 [1,0,0,1,0,0|1,0,1]=4 373 B8R1.4 CC1=CCCC(=C1)C CNP0118398.0 [1,0,0,1,0,0|1,0,1]=4 374 B8R1.4 CC1=CCC[C@H](O1)C CNP0262118.1 [1,0,0,1,0,0|2,0,0]=4 375 B8R1.18 CC1=C[C@@H](N=C1O)O CNP0545516.1 [1,0,0,1,0,0|2,0,0]=4 376 B8R1.18 CC1=C[C@@H](OC1=O)C CNP0153063.2 [1,0,0,1,0,0|1,0,0]=3 377 B8R1.18 CC1=C[C@H](NC1=O)O CNP0240241.1 [1,0,0,1,0,0|2,0,0]=4 378 B8R1.18 CC1=C[C@H](OC1=O)C CNP0153063.1 [1,0,0,1,0,0|1,0,0]=3 379 B8R1.18 CC1=C[C@H](OC1=O)O CNP0160871.1 [1,0,0,1,0,0|2,0,0]=4 380 B8R1.18 CC1C=C(C(=O)O1)O CNP0612035.0 [1,0,0,1,0,0|2,0,0]=4 381 B8R1.18 C[C@@H]1C=C(C(=O)C1)O CNP0171928.1 [1,0,0,1,0,0|1,0,0]=3 382 B8R1.40 C[C@H](C=O)CC1CC1 CNP0511698.1 [1,0,0,1,0,0|0,0,2]=4 383 B8R1.5 CC1=CCCC[C@@H]1O CNP0368729.1 [1,0,0,1,0,0|1,0,1]=4 384 B8R1.5 CC1CCCOC1=O CNP0340524.0 [1,0,0,1,0,0|0,0,2]=4 385 B8R1.5 O=C1CCCC=C1O CNP0238036.0 [1,0,0,1,0,0|2,0,0]=4 386 B8R1.7 CC(=O)C1=NCCC1 CNP0003511.0 [1,0,0,1,0,0|2,0,0]=4 387 B8R1.7 O=C(O)C1=NCCC1 CNP0021263.0 [1,0,0,1,0,0|1,0,0]=3 388 B8R1.7 O=C(O)C1CCCC1 CNP0135626.0 [1,0,0,1,0,0|0,0,2]=4 389 B8R1.7 O=C(O)C1CCCS1 CNP0033094.0 [1,0,0,1,0,0|1,0,1]=4 390 B8R1.7 O=C(O)[C@@H]1C=CCC1 CNP0310576.1 [1,0,0,1,0,0|0,0,2]=4 391 B8R1.7 O=C(O)[C@@H]1CCCN1 CNP0219104.1 [1,0,0,1,0,0|1,0,1]=4 392 B8R1.7 O=C(O)[C@H]1CCCN1 CNP0219104.2 [1,0,0,1,0,0|1,0,1]=4 393 B8R1.7 O=C(O)[C@H]1CCCO1 CNP0573832.1 [1,0,0,1,0,0|1,0,1]=4 394 B8R1.3 O=C1C=CC(=O)OC1 CNP0611320.0 [1,0,0,1,0,0|1,0,1]=4 395 B8R1.3 O=C1C=C[C@@H](CN1)O CNP0420822.2 [1,0,0,1,0,0|2,0,0]=4 396 B8R1.3 O=C1C=C[C@H](CN1)O CNP0420822.1 [1,0,0,1,0,0|2,0,0]=4 397 B8R1.77 CC1(N[C@@H]1C(=O)O)C CNP0357340.1 [1,0,0,1,0,0|1,0,1]=4 398 B8R1.50 C=C1C(=O)OC[C@@H]1O CNP0216725.1 [0,0,0,1,1,0|1,0,1]=4 399 B8R1.50 C=C1C(=O)OC[C@H]1O CNP0216725.2 [0,0,0,1,1,0|1,0,1]=4 400 B8R1.50 CC1=C(C(=O)CC1)C CNP0395678.0 [0,0,0,1,1,0|1,0,1]=4 401 B8R1.50 CC1=C(C(CC1)C)C CNP0610113.0 [0,0,0,1,1,0|2,0,0]=4 402 B8R1.50 C[C@@H]1C(=O)OC[C@@H]1O CNP0400627.1 [0,0,0,1,1,0|1,0,1]=4 403 B8R1.50 C[C@@H]1C(=O)OC[C@H]1O CNP0400627.2 [0,0,0,1,1,0|1,0,1]=4 404 B8R1.50 C[C@@H]1COC(=O)[C@@H]1O CNP0158436.1 [0,0,0,1,1,0|1,0,1]=4 405 B8R1.50 C[C@@H]1CSC(=O)[C@H]1C CNP0371983.1 [0,0,0,1,1,0|0,1,1]=4 406 B8R1.50 C[C@H]1C(=O)OC[C@@H]1O CNP0400627.3 [0,0,0,1,1,0|1,0,1]=4 407 B8R1.50 C[C@H]1CC=C(C1=O)O CNP0292071.1 [0,0,0,1,1,0|2,0,0]=4 408 B8R1.50 C[C@H]1CCC(=O)C1=O CNP0124225.1 [0,0,0,1,1,0|2,0,0]=4 409 B10R1.13 C=C(C)C1=CC[C@@H](CC1)C CNP0206542.2 [0,0,0,1,0,1|2,0,0]=4 410 B10R1.13 C=C(C)C1=CC[C@H](CC1)C CNP0206542.1 [0,0,0,1,0,1|2,0,0]=4 411 B10R1.13 CC(=C1C=C[C@@H](CC1)C)C CNP0405385.2 [0,0,0,1,0,1|2,0,0]=4 412 B10R1.13 CC(=C1C=C[C@H](CC1)C)C CNP0405385.1 [0,0,0,1,0,1|2,0,0]=4 413 B10R1.13 CC(=O)C1=CC=C(CC1)C CNP0164378.0 [0,0,0,1,0,1|1,0,1]=4 414 B10R1.13 CC(=O)C1=CC[C@H](CC1)O CNP0282995.1 [0,0,0,1,0,1|2,0,0]=4 415 B10R1.13 CC(=O)[C@H]1C=C[C@@H](CC1)C CNP0155762.1 [0,0,0,1,0,1|1,0,1]=4 416 B10R1.13 C[C@H]1CC[C@@H](CC1)C(=O)O CNP0321866.1 [0,0,0,1,0,1|0,0,2]=4 417 B10R1.58 CC(C)[C@@H]1C=C(C(=O)O1)N CNP0526370.1 [0,0,0,1,0,1|1,0,0]=3 418 B10R1.58 CC1=C(OC(=N1)C(C)C)C CNP0140800.0 [0,0,0,1,0,1|1,0,0]=3 419 B10R1.58 CC1=C(SC(=N1)C(C)C)C CNP0271534.0 [0,0,0,1,0,1|1,1,0]=4 420 B10R1.54 C[C@@H]1CC[C@@H](C1)CC(=O)O CNP0206632.1 [0,0,0,1,0,1|0,0,2]=4 421 B10R1.59 CC(C)C1=CC(=O)O[C@H]1C CNP0132158.1 [0,0,0,1,0,1|1,0,1]=4 422 B10R1.59 CC1=CN([C@H](C1)C(=O)O)C CNP0267040.1 [0,0,0,1,0,1|1,0,1]=4 423 B10R1.59 C[C@@H]1C[C@H](N(C1)C)C(=O)O CNP0153651.1 [0,0,0,1,0,1|1,0,1]=4 424 B10R1.329 CC1(OC(=O)CC(=O)O1)C CNP0197041.0 [0,0,0,1,0,1|2,0,0]=4 425 B10R1.329 CC1=CC(=NC(C1)(C)C)O CNP0497194.0 [0,0,0,1,0,1|1,0,1]=4 426 B10R1.329 CC1=CC(=O)CC(C1)(C)C CNP0196251.0 [0,0,0,1,0,1|1,0,1]=4 427 B10R1.329 CC1=CC(=O)OC(C1)(C)C CNP0077000.0 [0,0,0,1,0,1|0,0,1]=3 428 B10R1.329 CC1=CC(CC(=C1)C)(C)C CNP0076041.0 [0,0,0,1,0,1|2,0,0]=4 429 B10R1.329 CC1=CC(CC(=O)C1)(C)C CNP0135841.0 [0,0,0,1,0,1|1,0,0]=3 430 B10R1.22 CC1=C(C(=O)C[C@H](O1)O)O CNP0088707.1 [0,1,0,1,0,0|2,0,0]=4 431 B10R1.194 CC(C)C1=C(C(=O)CC1)O CNP0240398.0 [0,1,0,1,0,0|2,0,0]=4 432 B10R1.271 CC1=C(C(=O)C(O1)(C)O)O CNP0538418.0 [0,1,0,1,0,0|2,0,0]=4 433 B10R1.271 CC1=C(C(=O)CC1(C)C)O CNP0380715.0 [0,1,0,1,0,0|2,0,0]=4 434 B10R1.271 CC1=C(C(=O)[C@](S1)(C)O)O CNP0355672.1 [0,1,0,1,0,0|2,0,0]=4 435 B10R1.271 CC1=C([C@@](OC1=O)(C)O)C CNP0259444.1 [0,1,0,1,0,0|1,0,0]=3 436 B10R1.271 CN1C(=O)OC(C1=O)(C)C CNP0157469.0 [0,1,0,1,0,0|1,0,0]=3 437 B10R1.30 CCC1=C[C@@H](CCC1=O)O CNP0306818.1 [0,1,0,1,0,0|2,0,0]=4 438 B10R1.113 C=C(C)C1=CC(CCC1)C CNP0596114.0 [0,1,0,1,0,0|2,0,0]=4 439 B10R1.113 CC1CCC[C@@H](N1)C(=O)O CNP0227209.1 [0,1,0,1,0,0|1,0,1]=4 440 B10R1.113 CC1NC(CCS1)C(=O)O CNP0612152.0 [0,1,0,1,0,0|1,0,1]=4 441 B10R1.113 CN1CCC=C(C1)C(=O)O CNP0266221.0 [0,1,0,1,0,0|1,0,1]=4 442 B10R1.113 C[C@@H]1CCC[C@@H](N1)C(=O)O CNP0227209.2 [0,1,0,1,0,0|1,0,1]=4 443 B10R1.113 C[C@@H]1C[C@@H](CCO1)C(=O)O CNP0370944.3 [0,1,0,1,0,0|0,0,2]=4 444 B10R1.113 C[C@@H]1C[C@H](CCO1)C(=O)O CNP0370944.4 [0,1,0,1,0,0|0,0,2]=4 445 B10R1.113 C[C@H]1CCC[C@@H](N1)C(=O)O CNP0227209.3 [0,1,0,1,0,0|1,0,1]=4 446 B10R1.113 C[C@H]1C[C@@H](CCO1)C(=O)O CNP0370944.2 [0,1,0,1,0,0|0,0,2]=4 447 B10R1.113 C[C@H]1C[C@H](CCO1)C(=O)O CNP0370944.1 [0,1,0,1,0,0|0,0,2]=4 448 B10R1.113 N[C@H]1C=C(CCC1)C(=O)O CNP0277153.1 [0,1,0,1,0,0|1,0,0]=3 449 B10R1.118 CC1=CC(=C(C=C1C)O)C CNP0242109.0 [0,1,0,1,0,0|1,0,1]=4 450 B10R1.118 CC1=C[C@@H]([C@H](CC1=O)O)O CNP0198563.1 [0,1,0,1,0,0|2,0,0]=4 451 B10R1.118 CC1=C[C@@H]([C@H](OC1=O)C)C CNP0135336.1 [0,1,0,1,0,0|0,0,0]=2 452 B10R1.118 CC1=C[C@H]([C@@H](CC1=O)O)O CNP0198563.2 [0,1,0,1,0,0|2,0,0]=4 453 B10R1.118 C[C@@H]1C[C@H]([C@@H](OC1=O)C)C CNP0283141.1 [0,1,0,1,0,0|0,0,2]=4 454 B10R1.244 CC1=CC(OC1=O)(O)CCl CNP0203834.0 [0,1,0,1,0,0|1,0,0]=3 455 B8R0.28 CC(=CC=CC(C)C)C CNP0313251.0 [1,0,0,0,0,1|2,0,0]=4 456 B8R0.28 CC(=O)C=CC=C(C)C CNP0275973.0 [1,0,0,0,0,1|1,0,1]=4 457 B8R0.28 CC(=O)C=CCC(C)C CNP0400137.0 [1,0,0,0,0,1|1,0,0]=3 458 B8R0.28 CC(C)C=CCC(=O)O CNP0441019.0 [1,0,0,0,0,1|0,0,0]=2 459 B8R0.28 CC(C)CCCC(=O)O CNP0255582.0 [1,0,0,0,0,1|0,0,2]=4 460 B8R0.28 CC(O)CC=CC(=O)O CNP0482180.0 [1,0,0,0,0,1|1,0,0]=3 461 B10R0.98 CC(=CCC=C(C)C(=O)O)C CNP0318467.0 [0,0,0,0,0,2|0,0,1]=3 462 B10R0.98 CC(=CCCC(C)C(=O)O)C CNP0436414.0 [0,0,0,0,0,2|0,0,2]=4 463 B10R0.98 CC(=O)C=CC=C(C)C(=O)O CNP0156753.0 [0,0,0,0,0,2|1,0,1]=4 464 B10R0.98 CC(=O)OCC=C(C)C(=O)O CNP0107053.0 [0,0,0,0,0,2|1,0,1]=4 465 B10R0.98 CC(C)CCCC(C)C(=O)O CNP0346887.0 [0,0,0,0,0,2|0,0,2]=4