0 B9R1.35 C=C1CN[C@@H](C1)C(=O)O CNP0129075.1 [0,0,0,0,0,0|1,0,1]=2 1 B9R1.35 CN1C=N[C@@H](C1)C(=O)O CNP0561353.1 [0,0,0,0,0,0|2,0,2]=4 2 B9R1.35 CN1C=N[C@H](C1)C(=O)O CNP0561353.2 [0,0,0,0,0,0|2,0,2]=4 3 B9R1.35 CN1CCC(C1)C(=O)O CNP0077151.0 [0,0,0,0,0,0|3,0,0]=3 4 B9R1.35 C[C@@H]1CC[C@@H](C1)C(=O)O CNP0315118.1 [0,0,0,0,0,0|2,0,0]=2 5 B9R1.35 C[C@@H]1CN[C@@H](C1)C(=O)O CNP0293874.4 [0,0,0,0,0,0|1,0,0]=1 6 B9R1.35 C[C@@H]1CN[C@H](C1)C(=O)O CNP0293874.2 [0,0,0,0,0,0|1,0,0]=1 7 B9R1.35 C[C@H]1CC[C@H](N1)C(=O)O CNP0140199.1 [0,0,0,0,0,0|3,0,0]=3 8 B9R1.35 C[C@H]1CN[C@@H](C1)C(=O)O CNP0293874.3 [0,0,0,0,0,0|1,0,0]=1 9 B9R1.35 C[C@H]1CN[C@H](C1)C(=O)O CNP0293874.1 [0,0,0,0,0,0|1,0,0]=1 10 B9R1.35 NC1CCC(C1)C(=O)O CNP0035427.0 [0,0,0,0,0,0|2,0,0]=2 11 B9R1.35 N[C@@H]1N=N[C@@H](N1)C(=O)O CNP0052403.2 [0,0,0,0,0,0|3,0,1]=4 12 B9R1.35 N[C@@H]1N=N[C@H](N1)C(=O)O CNP0052403.3 [0,0,0,0,0,0|3,0,1]=4 13 B9R1.35 N[C@H]1CN[C@@H](C1)C(=O)O CNP0274679.1 [0,0,0,0,0,0|1,0,0]=1 14 B9R1.35 N[C@H]1N=N[C@@H](N1)C(=O)O CNP0052403.4 [0,0,0,0,0,0|3,0,1]=4 15 B9R1.35 N[C@H]1N=N[C@H](N1)C(=O)O CNP0052403.1 [0,0,0,0,0,0|3,0,1]=4 16 B9R1.35 O=C(O)C1=CC(=CN1)O CNP0363770.0 [0,0,0,0,0,0|0,0,4]=4 17 B9R1.35 O=C(O)C1=NCC(C1)O CNP0083616.0 [0,0,0,0,0,0|0,0,2]=2 18 B9R1.35 O=C(O)[C@@H]1CC(CN1)O CNP0368925.2 [0,0,0,0,0,0|0,0,0]=0 19 B9R1.35 O=C(O)[C@@H]1CCC(=N1)O CNP0546413.2 [0,0,0,0,0,0|2,0,1]=3 20 B9R1.35 O=C(O)[C@@H]1CS[S+](C1)[O-] CNP0513817.2 [0,0,0,0,0,0|3,0,1]=4 21 B9R1.35 O=C(O)[C@@H]1C[C@@H](CN1)O CNP0368925.3 [0,0,0,0,0,0|0,0,0]=0 22 B9R1.35 O=C(O)[C@@H]1C[C@H](C=N1)O CNP0313115.1 [0,0,0,0,0,0|0,0,2]=2 23 B9R1.35 O=C(O)[C@@H]1C[C@H](CN1)O CNP0368925.1 [0,0,0,0,0,0|0,0,0]=0 24 B9R1.35 O=C(O)[C@H]1CCC(=N1)O CNP0546413.1 [0,0,0,0,0,0|2,0,1]=3 25 B9R1.35 O=C(O)[C@H]1CSC(=S)C1 CNP0359055.1 [0,0,0,0,0,0|2,1,1]=4 26 B9R1.35 O=C(O)[C@H]1CS[S+](C1)[O-] CNP0513817.3 [0,0,0,0,0,0|3,0,1]=4 27 B9R1.35 O=C(O)[C@H]1CS[S@+](C1)[O-] CNP0513817.1 [0,0,0,0,0,0|3,0,1]=4 28 B9R1.35 O=C(O)[C@H]1CS[S@@+](C1)[O-] CNP0513817.4 [0,0,0,0,0,0|3,0,1]=4 29 B9R1.35 O=C(O)[C@H]1C[C@@H](C=N1)O CNP0313115.2 [0,0,0,0,0,0|0,0,2]=2 30 B9R1.35 O=C(O)[C@H]1C[C@@H](CN1)O CNP0368925.5 [0,0,0,0,0,0|0,0,0]=0 31 B9R1.35 O=C(O)[C@H]1C[C@H](CN1)O CNP0368925.4 [0,0,0,0,0,0|0,0,0]=0 32 B9R1.35 O=C1CC[C@@H](N1)C(=O)O CNP0206174.1 [0,0,0,0,0,0|2,0,2]=4 33 B9R1.35 O=C1CC[C@@H](O1)C(=O)O CNP0464408.1 [0,0,0,0,0,0|2,0,2]=4 34 B9R1.35 O=C1CC[C@H](N1)C(=O)O CNP0206174.2 [0,0,0,0,0,0|2,0,2]=4 35 B9R1.35 O=C1CNC(C1)C(=O)O CNP0124683.0 [0,0,0,0,0,0|0,0,2]=2 36 B8R1.1 O=CC1CC(CN1)O CNP0566799.0 [1,0,0,0,0,0|0,0,0]=1 37 B8R1.1 O=C[C@@H]1CCC(=N1)O CNP0538916.1 [1,0,0,0,0,0|2,0,1]=4 38 B8R1.1 OC[C@H]1CC[C@@H](C1)O CNP0523551.1 [1,0,0,0,0,0|1,0,1]=3 39 B8R1.7 CC(=O)C1=NCCC1 CNP0003511.0 [1,0,0,0,0,0|1,0,2]=4 40 B8R1.7 CC(=O)C1CCCN1 CNP0077115.0 [1,0,0,0,0,0|1,0,0]=2 41 B8R1.7 CC(=O)C1CCSS1 CNP0238288.0 [1,0,0,0,0,0|3,0,0]=4 42 B8R1.7 CC(O)C1CCCC1 CNP0082077.0 [1,0,0,0,0,0|2,0,1]=4 43 B8R1.7 NC(=O)N1CCCC1 CNP0254929.0 [1,0,0,0,0,0|3,0,0]=4 44 B8R1.7 NC(=O)[C@@H]1CCCN1 CNP0120914.1 [1,0,0,0,0,0|1,0,0]=2 45 B8R1.7 O=C(O)C1=NCCC1 CNP0021263.0 [1,0,0,0,0,0|0,0,2]=3 46 B8R1.7 O=C(O)C1C=CCN1 CNP0207139.0 [1,0,0,0,0,0|0,0,2]=3 47 B8R1.7 O=C(O)C1CC=CN1 CNP0535760.0 [1,0,0,0,0,0|0,0,2]=3 48 B8R1.7 O=C(O)C1CCCC1 CNP0135626.0 [1,0,0,0,0,0|1,0,0]=2 49 B8R1.7 O=C(O)C1CCCS1 CNP0033094.0 [1,0,0,0,0,0|1,0,0]=2 50 B8R1.7 O=C(O)C1CCSS1 CNP0533688.0 [1,0,0,0,0,0|2,0,0]=3 51 B8R1.7 O=C(O)C1CSSC1 CNP0289414.0 [1,0,0,0,0,0|3,0,0]=4 52 B8R1.7 O=C(O)[C@@H]1C=CCC1 CNP0310576.1 [1,0,0,0,0,0|1,0,1]=3 53 B8R1.7 O=C(O)[C@@H]1CCC=N1 CNP0252420.1 [1,0,0,0,0,0|0,0,2]=3 54 B8R1.7 O=C(O)[C@@H]1CCCN1 CNP0219104.1 [1,0,0,0,0,0|0,0,0]=1 55 B8R1.7 O=C(O)[C@@H]1CCNC1 CNP0278075.2 [1,0,0,0,0,0|2,0,0]=3 56 B8R1.7 O=C(O)[C@@H]1CSCN1 CNP0229322.3 [1,0,0,0,0,0|1,0,0]=2 57 B8R1.7 O=C(O)[C@@H]1NCCS1 CNP0319074.2 [1,0,0,0,0,0|1,0,0]=2 58 B8R1.7 O=C(O)[C@H]1CCCN1 CNP0219104.2 [1,0,0,0,0,0|0,0,0]=1 59 B8R1.7 O=C(O)[C@H]1CCCO1 CNP0573832.1 [1,0,0,0,0,0|1,0,0]=2 60 B8R1.7 O=C(O)[C@H]1CCNC1 CNP0278075.1 [1,0,0,0,0,0|2,0,0]=3 61 B8R1.7 O=C(O)[C@H]1CSCN1 CNP0229322.2 [1,0,0,0,0,0|1,0,0]=2 62 B8R1.7 O=C(O)[C@H]1NCCS1 CNP0319074.1 [1,0,0,0,0,0|1,0,0]=2 63 B8R1.7 O=C([O-])[C@H]1CSCN1 CNP0229322.1 [1,0,0,0,0,0|1,0,1]=3 64 B10R1.14 COC(=O)[C@@H]1CCC(=N1)O CNP0499878.1 [0,1,0,0,0,0|2,0,1]=4 65 B10R1.14 COC(=O)[C@H]1CCC(=N1)O CNP0499878.2 [0,1,0,0,0,0|2,0,1]=4 66 B10R1.14 COC(=O)[C@H]1C[C@H](CN1)O CNP0033658.1 [0,1,0,0,0,0|0,0,0]=1 67 B10R1.31 O=C(O)[C@@H]1C[C@@H](CN1)CO CNP0249582.1 [0,1,0,0,0,0|0,0,0]=1 68 B10R1.31 O=C(O)[C@@H]1C[C@H](CN1)CO CNP0249582.4 [0,1,0,0,0,0|0,0,0]=1 69 B10R1.31 O=C(O)[C@H]1C[C@@H](CN1)CO CNP0249582.3 [0,1,0,0,0,0|0,0,0]=1 70 B10R1.31 O=C(O)[C@H]1C[C@H](CN1)CO CNP0249582.2 [0,1,0,0,0,0|0,0,0]=1 71 B10R1.58 C=C1CC(NC1=O)C(=O)O CNP0191153.0 [0,1,0,0,0,0|1,0,2]=4 72 B10R1.58 O=C(O)[C@@H]1CC(C(=N1)O)O CNP0540839.1 [0,1,0,0,0,0|0,0,2]=3 73 B10R1.58 O=C1N[C@@H](CC1O)C(=O)O CNP0608855.1 [0,1,0,0,0,0|0,0,1]=2 74 B10R1.59 CC1=CN([C@H](C1)C(=O)O)C CNP0267040.1 [0,1,0,0,0,0|1,0,2]=4 75 B10R1.59 CN1CC(C[C@@H]1C(=O)O)O CNP0410877.5 [0,1,0,0,0,0|0,0,0]=1 76 B10R1.59 CN1CC(C[C@H]1C(=O)O)O CNP0410877.4 [0,1,0,0,0,0|0,0,0]=1 77 B10R1.59 CN1C[C@@H](C[C@@H]1C(=O)O)O CNP0410877.2 [0,1,0,0,0,0|0,0,0]=1 78 B10R1.59 CN1C[C@@H](C[C@H]1C(=O)O)O CNP0410877.1 [0,1,0,0,0,0|0,0,0]=1 79 B10R1.59 CN1C[C@H](C[C@H]1C(=O)O)O CNP0410877.3 [0,1,0,0,0,0|0,0,0]=1 80 B10R1.59 C[C@@H]1C[C@@H](N[C@H]1C(=O)O)N CNP0588316.1 [0,1,0,0,0,0|3,0,0]=4 81 B10R1.59 C[C@@H]1C[C@@H]([C@@H](N1)C(=O)O)O CNP0392370.1 [0,1,0,0,0,0|3,0,0]=4 82 B10R1.59 C[C@@H]1C[C@H](N(C1)C)C(=O)O CNP0153651.1 [0,1,0,0,0,0|1,0,0]=2 83 B10R1.194 CC(=O)C1SCC(C1O)O CNP0478938.0 [0,1,0,0,0,0|2,0,0]=3 84 B10R1.194 CC(=O)[C@@H]1CO[C@@H]([C@@H]1C)O CNP0351311.3 [0,1,0,0,0,0|3,0,0]=4 85 B10R1.194 CC(=O)[C@@H]1CO[C@H]([C@@H]1C)O CNP0351311.2 [0,1,0,0,0,0|3,0,0]=4 86 B10R1.194 CC(=O)[C@H]1CO[C@@H]([C@H]1C)O CNP0351311.1 [0,1,0,0,0,0|3,0,0]=4 87 B10R1.194 CC1C(=O)CC[C@H]1C(=O)O CNP0156871.3 [0,1,0,0,0,0|1,0,2]=4 88 B10R1.194 C[C@@H](O)[C@H]1NC[C@H]([C@H]1O)O CNP0448854.1 [0,1,0,0,0,0|1,0,1]=3 89 B10R1.194 C[C@@H]1C(=O)CC[C@@H]1C(=O)O CNP0156871.2 [0,1,0,0,0,0|1,0,2]=4 90 B10R1.194 C[C@@H]1C(=O)CC[C@H]1C(=O)O CNP0156871.1 [0,1,0,0,0,0|1,0,2]=4 91 B10R1.194 C[C@H]1C(=O)CC[C@@H]1C(=O)O CNP0156871.4 [0,1,0,0,0,0|1,0,2]=4 92 B10R1.194 C[C@H]1CN[C@@H]([C@H]1O)C(=O)O CNP0315433.1 [0,1,0,0,0,0|1,0,0]=2 93 B10R1.194 O=C(O)[C@@H]1NC[C@H]([C@H]1O)O CNP0331184.2 [0,1,0,0,0,0|0,0,0]=1 94 B10R1.194 O=C(O)[C@H]1NC[C@@H]([C@H]1O)O CNP0331184.4 [0,1,0,0,0,0|0,0,0]=1 95 B10R1.194 O=C(O)[C@H]1NC[C@H]([C@@H]1O)O CNP0331184.1 [0,1,0,0,0,0|0,0,0]=1 96 B10R1.194 O=C(O)[C@H]1NC[C@H]([C@H]1O)O CNP0331184.3 [0,1,0,0,0,0|0,0,0]=1 97 B10R1.470 NC(=O)[C@]1(C=C[C@@H](C1)O)O CNP0236033.1 [0,1,0,0,0,0|2,0,1]=4 98 B8R0.8 CCCC=C(C)C(=O)O CNP0589734.0 [0,0,1,0,0,0|2,0,1]=4 99 B8R0.8 CCCC[C@@H](C)C(=O)O CNP0131779.1 [0,0,1,0,0,0|2,0,0]=3 100 B8R0.8 CCCC[C@@H](N)C(=O)O CNP0177876.2 [0,0,1,0,0,0|3,0,0]=4 101 B8R0.8 CCCC[C@H](Br)C(=O)O CNP0017777.1 [0,0,1,0,0,0|3,0,0]=4 102 B8R0.8 CCCC[C@H](N)C(=O)O CNP0177876.1 [0,0,1,0,0,0|3,0,0]=4 103 B8R0.8 CCCC[C@H](O)C(=O)O CNP0296365.1 [0,0,1,0,0,0|3,0,0]=4 104 B8R0.8 C[C@@H](CCCN)C(=O)O CNP0300742.1 [0,0,1,0,0,0|2,0,0]=3 105 B8R0.8 C[C@H](NCCO)C(=O)O CNP0270315.1 [0,0,1,0,0,0|0,0,0]=1 106 B8R0.8 NCCC[C@@H](N)C(=O)O CNP0102727.2 [0,0,1,0,0,0|3,0,0]=4 107 B8R0.8 NCCC[C@@H](O)C(=O)O CNP0154820.1 [0,0,1,0,0,0|3,0,0]=4 108 B8R0.8 NCCC[C@H](N)C(=O)O CNP0102727.1 [0,0,1,0,0,0|3,0,0]=4 109 B8R0.8 N[C@@H](CCCO)C(=O)O CNP0218644.1 [0,0,1,0,0,0|2,0,0]=3 110 B8R0.8 N[C@H](CCCO)C(=O)O CNP0218644.2 [0,0,1,0,0,0|2,0,0]=3 111 B8R0.9 C=C[C@@H](N)CCC(=O)O CNP0210876.2 [0,0,1,0,0,0|2,0,1]=4 112 B8R0.9 C=C[C@H](N)CCC(=O)O CNP0210876.1 [0,0,1,0,0,0|2,0,1]=4 113 B8R0.9 CC(=O)OC[C@@H](O)CO CNP0178275.2 [0,0,1,0,0,0|3,0,0]=4 114 B8R0.9 CC(=O)OC[C@H](O)CO CNP0178275.1 [0,0,1,0,0,0|3,0,0]=4 115 B8R0.9 CCC(=O)CCC(=O)O CNP0609090.0 [0,0,1,0,0,0|1,0,2]=4 116 B8R0.9 CCC(C)CCC(=O)C CNP0351126.0 [0,0,1,0,0,0|3,0,0]=4 117 B8R0.9 CCC(O)C=CC(=O)O CNP0352408.0 [0,0,1,0,0,0|1,0,2]=4 118 B8R0.9 CC[C@@H](N)CCC(=O)O CNP0584054.1 [0,0,1,0,0,0|2,0,0]=3 119 B8R0.9 CC[C@@H](O)C=CC(=O)O CNP0352408.1 [0,0,1,0,0,0|1,0,2]=4 120 B8R0.9 CC[C@H](C)CCC(=O)O CNP0326615.1 [0,0,1,0,0,0|2,0,0]=3 121 B8R0.9 N#CC(N)CCC(=O)O CNP0028484.0 [0,0,1,0,0,0|1,0,2]=4 122 B8R0.9 NCC(=O)CCC(=O)O CNP0153451.0 [0,0,1,0,0,0|0,0,2]=3 123 B8R0.9 NCC(=O)NCC(=O)O CNP0355149.0 [0,0,1,0,0,0|1,0,2]=4 124 B8R0.9 NC[C@@H](N)CCC(=O)O CNP0280989.1 [0,0,1,0,0,0|1,0,0]=2 125 B8R0.9 NC[C@@H](O)CCC(=O)O CNP0204037.1 [0,0,1,0,0,0|0,0,0]=1 126 B8R0.9 NC[C@H](N)CCC(=O)O CNP0280989.2 [0,0,1,0,0,0|1,0,0]=2 127 B8R0.9 N[C@H](C=O)CCC(=O)O CNP0108280.1 [0,0,1,0,0,0|2,0,1]=4 128 B8R0.9 O=C(O)CCC(=O)CO CNP0325230.0 [0,0,1,0,0,0|1,0,2]=4 129 B8R0.9 O=C(O)CC[C@H](O)CO CNP0251950.1 [0,0,1,0,0,0|1,0,0]=2 130 B8R0.15 C=CC[C@@H](NC)C(=O)O CNP0302571.1 [0,0,1,0,0,0|1,0,1]=3 131 B8R0.15 CCC[C@@H](NC)C(=O)O CNP0223664.1 [0,0,1,0,0,0|1,0,0]=2 132 B8R0.15 CN[C@@H](COC)C(=O)O CNP0173181.1 [0,0,1,0,0,0|2,0,0]=3 133 B8R0.23 C=C(Cl)C[C@H](N)C(=O)O CNP0106223.1 [0,0,1,0,0,0|1,0,2]=4 134 B8R0.23 CC(=O)C(O)CC(C)C CNP0003259.0 [0,0,1,0,0,0|3,0,0]=4 135 B8R0.23 CC(=O)CC(N)C(=O)O CNP0533011.0 [0,0,1,0,0,0|0,0,2]=3 136 B8R0.23 CC(=O)C[C@@H](O)C(=O)O CNP0195071.1 [0,0,1,0,0,0|1,0,2]=4 137 B8R0.23 CC(=O)C[C@H](O)C(=O)O CNP0195071.2 [0,0,1,0,0,0|1,0,2]=4 138 B8R0.23 CC(C)CC(=O)C(=O)O CNP0271985.0 [0,0,1,0,0,0|2,0,1]=4 139 B8R0.23 CC(C)C[C@@H](N)C(=O)N CNP0135603.3 [0,0,1,0,0,0|2,0,0]=3 140 B8R0.23 CC(C)C[C@@H](N)C(=O)O CNP0201141.2 [0,0,1,0,0,0|1,0,0]=2 141 B8R0.23 CC(C)C[C@@H](O)C(=O)O CNP0270190.1 [0,0,1,0,0,0|2,0,0]=3 142 B8R0.23 CC(C)C[C@H](N)C(=O)N CNP0135603.2 [0,0,1,0,0,0|2,0,0]=3 143 B8R0.23 CC(C)C[C@H](N)C(=O)O CNP0201141.1 [0,0,1,0,0,0|1,0,0]=2 144 B8R0.23 CC(C)C[C@H](O)C(=O)O CNP0270190.2 [0,0,1,0,0,0|2,0,0]=3 145 B8R0.23 CC(O)CC(=O)C(=O)O CNP0082912.0 [0,0,1,0,0,0|1,0,1]=3 146 B8R0.23 CN(C)C[C@H](N)C(=O)O CNP0374568.1 [0,0,1,0,0,0|2,0,0]=3 147 B8R0.23 C[C@@H](CC(=O)O)C(=O)O CNP0294195.2 [0,0,1,0,0,0|2,0,1]=4 148 B8R0.23 C[C@@H](O)C[C@@H](N)C(=O)O CNP0191849.1 [0,0,1,0,0,0|0,0,0]=1 149 B8R0.23 C[C@@H](O)C[C@H](N)C(=O)O CNP0191849.2 [0,0,1,0,0,0|0,0,0]=1 150 B8R0.23 C[C@H](CC(=O)O)C(=O)O CNP0294195.1 [0,0,1,0,0,0|2,0,1]=4 151 B8R0.23 C[C@H](Cl)C[C@H](N)C(=O)O CNP0194801.1 [0,0,1,0,0,0|1,0,0]=2 152 B8R0.23 C[C@H](N)C[C@@H](N)C(=O)O CNP0252327.1 [0,0,1,0,0,0|1,0,0]=2 153 B8R0.23 C[C@H](O)C[C@H](N)C(=O)O CNP0191849.3 [0,0,1,0,0,0|0,0,0]=1 154 B8R0.23 C[S+]([O-])C[C@@H](N)C(=O)O CNP0580567.3 [0,0,1,0,0,0|1,0,1]=3 155 B8R0.23 C[S+]([O-])C[C@H](N)C(=O)O CNP0580567.2 [0,0,1,0,0,0|1,0,1]=3 156 B8R0.23 C[S@+]([O-])C[C@@H](N)C(=O)O CNP0580567.4 [0,0,1,0,0,0|1,0,1]=3 157 B8R0.23 C[S@+]([O-])C[C@H](N)C(=O)O CNP0580567.1 [0,0,1,0,0,0|1,0,1]=3 158 B8R0.23 C[S@H+]([O-])C[C@@H](N)C(=O)O CNP0585919.2 [0,0,1,0,0,0|1,0,1]=3 159 B8R0.23 C[S@H+]([O-])C[C@H](N)C(=O)O CNP0585919.1 [0,0,1,0,0,0|1,0,1]=3 160 B8R0.23 C[SeH](=O)C[C@H](N)C(=O)O CNP0480445.1 [0,0,1,0,0,0|1,0,1]=3 161 B8R0.23 C[Se](=O)C[C@H](N)C(=O)O CNP0218473.1 [0,0,1,0,0,0|1,0,1]=3 162 B8R0.23 NC(=O)C[C@@H](N)C(=O)O CNP0267849.2 [0,0,1,0,0,0|1,0,2]=4 163 B8R0.23 NC(=O)C[C@H](N)C(=O)O CNP0267849.1 [0,0,1,0,0,0|1,0,2]=4 164 B8R0.23 NC(=O)[C@@H](N)CC(=O)O CNP0177552.1 [0,0,1,0,0,0|2,0,1]=4 165 B8R0.23 NC(CC(=O)O)C(=O)[O-] CNP0542511.0 [0,0,1,0,0,0|1,0,2]=4 166 B8R0.23 NC(CC(=O)[O-])C(=O)O CNP0606657.0 [0,0,1,0,0,0|1,0,2]=4 167 B8R0.23 NC(CS(=O)=O)C(=O)O CNP0422129.0 [0,0,1,0,0,0|2,0,1]=4 168 B8R0.23 NC(C[Se](=O)O)C(=O)O CNP0053005.0 [0,0,1,0,0,0|2,0,0]=3 169 B8R0.23 N[C@@H](CC(=O)O)C(=O)O CNP0141839.1 [0,0,1,0,0,0|1,0,1]=3 170 B8R0.23 N[C@@H](CC(=O)O)C(=O)O CNP0334080.1 [0,0,1,0,0,0|1,0,1]=3 171 B8R0.23 N[C@@H](CC(Cl)Cl)C(=O)O CNP0220364.1 [0,0,1,0,0,0|2,0,0]=3 172 B8R0.23 N[C@@H](CS(=O)O)C(=O)O CNP0255086.1 [0,0,1,0,0,0|2,0,0]=3 173 B8R0.23 N[C@@H](C[S@@](=O)O)C(=O)O CNP0255086.4 [0,0,1,0,0,0|2,0,0]=3 174 B8R0.23 N[C@@H](C[S@](=O)O)C(=O)O CNP0255086.3 [0,0,1,0,0,0|2,0,0]=3 175 B8R0.23 N[C@@H](C[SH](=O)O)C(=O)O CNP0546202.2 [0,0,1,0,0,0|2,0,0]=3 176 B8R0.23 N[C@@H](C[S](=O)=O)C(=O)O CNP0002376.1 [0,0,1,0,0,0|2,0,1]=4 177 B8R0.23 N[C@@H](C[SeH](=O)=O)C(=O)O CNP0497016.1 [0,0,1,0,0,0|2,0,1]=4 178 B8R0.23 N[C@H](CC(=O)O)C(=O)O CNP0141839.2 [0,0,1,0,0,0|1,0,1]=3 179 B8R0.23 N[C@H](C[S@@](=O)O)C(=O)O CNP0255086.2 [0,0,1,0,0,0|2,0,0]=3 180 B8R0.23 N[C@H](C[SH](=O)O)C(=O)O CNP0546202.1 [0,0,1,0,0,0|2,0,0]=3 181 B8R0.23 O=C(O)CC(Cl)C(=O)O CNP0082226.0 [0,0,1,0,0,0|2,0,1]=4 182 B8R0.23 O=C(O)CC(S)C(=O)O CNP0402003.0 [0,0,1,0,0,0|2,0,1]=4 183 B8R0.23 O=C(O)C[C@@H](O)C(=O)O CNP0152510.2 [0,0,1,0,0,0|2,0,1]=4 184 B8R0.23 O=C(O)C[C@H](O)C(=O)O CNP0152510.1 [0,0,1,0,0,0|2,0,1]=4 185 B8R0.23 O=C(O)[13CH2][C@@H](O)C(=O)O CNP0152510.3 [0,0,1,0,0,0|2,0,1]=4 186 B8R0.28 C=C(C)CCC[C@H](C)O CNP0136592.1 [0,0,1,0,0,0|3,0,0]=4 187 B8R0.28 CC(=O)CCCC(=O)O CNP0456571.0 [0,0,1,0,0,0|1,0,2]=4 188 B8R0.28 CC(=O)CCCC(C)C CNP0354382.0 [0,0,1,0,0,0|3,0,0]=4 189 B8R0.28 CC(C)C=CCC(=O)O CNP0441019.0 [0,0,1,0,0,0|2,0,1]=4 190 B8R0.28 CC(C)CCCC(=O)N CNP0540876.0 [0,0,1,0,0,0|3,0,0]=4 191 B8R0.28 CC(C)CCCC(=O)O CNP0255582.0 [0,0,1,0,0,0|2,0,0]=3 192 B8R0.28 CC(C)CCCC(=O)S CNP0536483.0 [0,0,1,0,0,0|2,1,0]=4 193 B8R0.28 CC(O)CC=CC(=O)O CNP0482180.0 [0,0,1,0,0,0|1,0,1]=3 194 B8R0.28 CC(O)COCC(C)O CNP0610078.0 [0,0,1,0,0,0|2,0,1]=4 195 B8R0.28 CN(C)CCCC(=O)O CNP0321126.0 [0,0,1,0,0,0|3,0,0]=4 196 B8R0.28 C[C@@H](O)CCCC(=O)O CNP0082052.1 [0,0,1,0,0,0|1,0,0]=2 197 B8R0.28 O=C(O)CCCC(=O)O CNP0256820.0 [0,0,1,0,0,0|2,0,1]=4 198 B8R0.28 O=C(O)CNCC(=O)O CNP0080016.0 [0,0,1,0,0,0|1,0,1]=3 199 B8R0.28 O=C(O)COCC(=O)O CNP0463298.0 [0,0,1,0,0,0|2,0,1]=4 200 B8R0.28 O=C(O)CSCC(=O)O CNP0310100.0 [0,0,1,0,0,0|2,0,1]=4 201 B10R2.348 O=C(O)[C@@]12C[C@@H](C1)CN2 CNP0372352.1 [0,0,0,1,0,0|1,0,0]=2 202 B10R2.355 O=C(O)[C@H]1NC[C@@H]2[C@H]1C2 CNP0380045.1 [0,0,0,1,0,0|1,0,0]=2 203 B10R2.355 O=C(O)[C@H]1NC[C@H]2[C@@H]1C2 CNP0380045.2 [0,0,0,1,0,0|1,0,0]=2 204 B8R1.31 N[C@H]1CO[C@H]1C(=O)O CNP0307308.1 [0,0,0,0,1,0|2,0,0]=3 205 B10R1.13 CC(=O)C1=CC[C@H](CC1)O CNP0282995.1 [0,0,0,0,0,1|2,0,1]=4 206 B10R1.13 C[C@@H](O)[C@H]1CC[C@@H](CC1)O CNP0080673.1 [0,0,0,0,0,1|2,0,1]=4 207 B10R1.13 C[C@H]1CC[C@@H](CC1)C(=O)O CNP0321866.1 [0,0,0,0,0,1|2,0,0]=3 208 B10R1.13 NC1CCN(CC1)C(=O)O CNP0024130.0 [0,0,0,0,0,1|3,0,0]=4 209 B10R1.13 O=C(O)[C@@H]1CC[C@@H](CN1)O CNP0286409.3 [0,0,0,0,0,1|0,0,0]=1 210 B10R1.13 O=C(O)[C@@H]1CC[C@H](CN1)O CNP0286409.4 [0,0,0,0,0,1|0,0,0]=1 211 B10R1.13 O=C(O)[C@H]1CC[C@@H](CC1)O CNP0177670.1 [0,0,0,0,0,1|1,0,0]=2 212 B10R1.13 O=C(O)[C@H]1CC[C@@H](CN1)O CNP0286409.2 [0,0,0,0,0,1|0,0,0]=1 213 B10R1.13 O=C(O)[C@H]1CC[C@H](CN1)O CNP0286409.1 [0,0,0,0,0,1|0,0,0]=1 214 B10R1.54 C[C@@H]1CC[C@@H](C1)CC(=O)O CNP0206632.1 [0,0,0,0,0,1|2,0,0]=3 215 B10R1.113 CC1CCC[C@@H](N1)C(=O)O CNP0227209.1 [0,0,0,0,0,1|3,0,0]=4 216 B10R1.113 CC1NC(CCS1)C(=O)O CNP0612152.0 [0,0,0,0,0,1|3,0,0]=4 217 B10R1.113 CN1CCCC(C1)C(=O)O CNP0563532.0 [0,0,0,0,0,1|3,0,0]=4 218 B10R1.113 C[C@@H]1CCC[C@@H](N1)C(=O)O CNP0227209.2 [0,0,0,0,0,1|3,0,0]=4 219 B10R1.113 C[C@@H]1C[C@@H](CCO1)C(=O)O CNP0370944.3 [0,0,0,0,0,1|2,0,0]=3 220 B10R1.113 C[C@@H]1C[C@H](CCO1)C(=O)O CNP0370944.4 [0,0,0,0,0,1|2,0,0]=3 221 B10R1.113 C[C@H]1CCC[C@@H](N1)C(=O)O CNP0227209.3 [0,0,0,0,0,1|3,0,0]=4 222 B10R1.113 C[C@H]1C[C@@H](CCO1)C(=O)O CNP0370944.2 [0,0,0,0,0,1|2,0,0]=3 223 B10R1.113 C[C@H]1C[C@H](CCO1)C(=O)O CNP0370944.1 [0,0,0,0,0,1|2,0,0]=3 224 B10R1.113 NC(=O)[C@@H]1C[C@@H](CCN1)O CNP0424456.1 [0,0,0,0,0,1|1,0,0]=2 225 B10R1.113 O=C(O)[C@@H]1C[C@@H](CCN1)O CNP0144077.1 [0,0,0,0,0,1|0,0,0]=1 226 B10R1.113 O=C(O)[C@@H]1C[C@@H](CNN1)O CNP0311237.1 [0,0,0,0,0,1|0,0,0]=1 227 B10R1.113 O=C(O)[C@@H]1C[C@H](CCN1)O CNP0144077.3 [0,0,0,0,0,1|0,0,0]=1 228 B10R1.113 O=C(O)[C@@H]1C[S@+](CCN1)[O-] CNP0539312.1 [0,0,0,0,0,1|1,0,1]=3 229 B10R1.113 O=C(O)[C@H]1C[C@@H](CCN1)O CNP0144077.4 [0,0,0,0,0,1|0,0,0]=1 230 B10R1.113 O=C(O)[C@H]1C[C@@H](CNN1)Cl CNP0324795.1 [0,0,0,0,0,1|1,0,0]=2 231 B10R1.113 O=C(O)[C@H]1C[C@H](CCN1)O CNP0144077.2 [0,0,0,0,0,1|0,0,0]=1 232 B10R1.113 O=C(O)[C@H]1C[C@H](CNN1)O CNP0311237.2 [0,0,0,0,0,1|0,0,0]=1 233 B10R1.113 O=C(O)[C@H]1C[S@+](CCN1)[O-] CNP0539312.2 [0,0,0,0,0,1|1,0,1]=3 234 B10R1.113 O=C1CCCC(C1)C(=O)O CNP0612018.0 [0,0,0,0,0,1|1,0,2]=4 235 B10R1.113 O=C1CCN[C@@H](C1)C(=O)O CNP0137744.1 [0,0,0,0,0,1|0,0,2]=3 236 B7R0.3 CCCC[C@@H](C)C=O CNP0315338.1 [1,0,1,0,0,0|2,0,0]=4 237 B7R0.3 NC[C@@H](O)CC=C=O CNP0374257.1 [1,0,1,0,0,0|0,0,2]=4 238 B7R0.4 C=C(O)CCCCC CNP0475201.0 [1,0,1,0,0,0|2,0,0]=4 239 B7R0.4 C=CCCCC(=O)O CNP0553840.0 [1,0,1,0,0,0|1,0,1]=4 240 B7R0.4 C=CCNCC(=O)O CNP0542042.0 [1,0,1,0,0,0|0,0,2]=4 241 B7R0.4 CC(O)CCCCO CNP0285438.0 [1,0,1,0,0,0|1,0,1]=4 242 B7R0.4 CCC=CCC(=O)O CNP0276461.0 [1,0,1,0,0,0|1,0,1]=4 243 B7R0.4 CCCC=CC(=O)O CNP0215085.0 [1,0,1,0,0,0|1,0,1]=4 244 B7R0.4 CCCCCC(=O)C CNP0240774.0 [1,0,1,0,0,0|2,0,0]=4 245 B7R0.4 CCCCCC(=O)N CNP0077222.0 [1,0,1,0,0,0|2,0,0]=4 246 B7R0.4 CCCCCC(=O)O CNP0210437.0 [1,0,1,0,0,0|1,0,0]=3 247 B7R0.4 CCCCCC(=S)O CNP0092443.0 [1,0,1,0,0,0|1,1,0]=4 248 B7R0.4 CCCCC[14C](=O)O CNP0563421.0 [1,0,1,0,0,0|1,0,0]=3 249 B7R0.4 CCOCCC(=O)O CNP0566237.0 [1,0,1,0,0,0|2,0,0]=4 250 B7R0.4 CNCCCC(=O)O CNP0216187.0 [1,0,1,0,0,0|2,0,0]=4 251 B7R0.4 N#CCCCC(=O)O CNP0192028.0 [1,0,1,0,0,0|0,0,2]=4 252 B7R0.4 NC(=O)COCCO CNP0488363.0 [1,0,1,0,0,0|2,0,0]=4 253 B7R0.4 NCCCCC(=O)N CNP0001733.0 [1,0,1,0,0,0|1,0,0]=3 254 B7R0.4 NCCCCC(=O)O CNP0167970.0 [1,0,1,0,0,0|0,0,0]=2 255 B7R0.4 NCCNCC(=O)O CNP0461877.0 [1,0,1,0,0,0|1,0,0]=3 256 B7R0.4 O=C(O)CCCCO CNP0601188.0 [1,0,1,0,0,0|1,0,0]=3 257 B7R0.4 O=C(O)CNCCO CNP0333030.0 [1,0,1,0,0,0|0,0,0]=2 258 B7R0.4 O=CCCCC(=O)O CNP0051154.0 [1,0,1,0,0,0|1,0,1]=4 259 B7R0.5 C#CC[C@@H](N)C(=O)O CNP0149987.1 [1,0,1,0,0,0|0,0,2]=4 260 B7R0.5 C#CC[C@H](N)C(=O)O CNP0149987.2 [1,0,1,0,0,0|0,0,2]=4 261 B7R0.5 C=C(CCO)C(=O)O CNP0185726.0 [1,0,1,0,0,0|0,0,2]=4 262 B7R0.5 C=CCC(C)C(=O)O CNP0293941.0 [1,0,1,0,0,0|1,0,1]=4 263 B7R0.5 C=CC[C@@H](N)C(=O)O CNP0299155.1 [1,0,1,0,0,0|0,0,2]=4 264 B7R0.5 C=CC[C@H](N)C(=O)O CNP0299155.2 [1,0,1,0,0,0|0,0,2]=4 265 B7R0.5 CC(=CCO)C(=O)O CNP0200165.0 [1,0,1,0,0,0|0,0,2]=4 266 B7R0.5 CC=CC(C)C(=O)O CNP0085321.0 [1,0,1,0,0,0|1,0,1]=4 267 B7R0.5 CCC=C(C)C(=O)O CNP0133224.0 [1,0,1,0,0,0|1,0,1]=4 268 B7R0.5 CCCC(=O)C(=O)O CNP0186110.0 [1,0,1,0,0,0|1,0,1]=4 269 B7R0.5 CCCC(C)C(=O)C CNP0145602.0 [1,0,1,0,0,0|2,0,0]=4 270 B7R0.5 CCC[C@@H](C)C(=O)Cl CNP0181182.1 [1,0,1,0,0,0|2,0,0]=4 271 B7R0.5 CCC[C@@H](C)C(=O)N CNP0263004.1 [1,0,1,0,0,0|2,0,0]=4 272 B7R0.5 CCC[C@@H](C)C(=O)O CNP0218134.2 [1,0,1,0,0,0|1,0,0]=3 273 B7R0.5 CCC[C@@H](N)C(=O)O CNP0198245.2 [1,0,1,0,0,0|0,0,0]=2 274 B7R0.5 CCC[C@@H](O)C(=O)C CNP0171062.1 [1,0,1,0,0,0|2,0,0]=4 275 B7R0.5 CCC[C@H](C)C(=O)Cl CNP0181182.2 [1,0,1,0,0,0|2,0,0]=4 276 B7R0.5 CCC[C@H](C)C(=O)N CNP0263004.2 [1,0,1,0,0,0|2,0,0]=4 277 B7R0.5 CCC[C@H](C)C(=O)O CNP0218134.1 [1,0,1,0,0,0|1,0,0]=3 278 B7R0.5 CCC[C@H](N)C(=O)N CNP0559533.1 [1,0,1,0,0,0|1,0,0]=3 279 B7R0.5 CCC[C@H](N)C(=O)O CNP0198245.1 [1,0,1,0,0,0|0,0,0]=2 280 B7R0.5 CCC[C@H](O)C(=O)O CNP0107771.1 [1,0,1,0,0,0|1,0,0]=3 281 B7R0.5 CCOC(C)C(=O)C CNP0496996.0 [1,0,1,0,0,0|2,0,0]=4 282 B7R0.5 CNC[C@@H](N)C(=O)O CNP0237559.2 [1,0,1,0,0,0|1,0,0]=3 283 B7R0.5 CNC[C@H](N)C(=O)O CNP0237559.1 [1,0,1,0,0,0|1,0,0]=3 284 B7R0.5 CSC[C@@H](N)C(=O)O CNP0391530.2 [1,0,1,0,0,0|1,0,0]=3 285 B7R0.5 CSC[C@H](N)C(=O)O CNP0391530.1 [1,0,1,0,0,0|1,0,0]=3 286 B7R0.5 C[C@@H](CCN)C(=O)O CNP0117278.1 [1,0,1,0,0,0|1,0,0]=3 287 B7R0.5 C[C@H](CCN)C(=O)O CNP0117278.2 [1,0,1,0,0,0|1,0,0]=3 288 B7R0.5 C[Se]C[C@H](N)C(=O)O CNP0420303.1 [1,0,1,0,0,0|1,0,0]=3 289 B7R0.5 N#CC[C@@H](N)C(=O)O CNP0254991.2 [1,0,1,0,0,0|1,0,1]=4 290 B7R0.5 N#CC[C@H](N)C(=O)O CNP0254991.1 [1,0,1,0,0,0|1,0,1]=4 291 B7R0.5 NC(C[S]=O)C(=O)O CNP0289741.0 [1,0,1,0,0,0|1,0,1]=4 292 B7R0.5 NCC[C@@H](N)C(=O)O CNP0283118.2 [1,0,1,0,0,0|1,0,0]=3 293 B7R0.5 NCC[C@H](N)C(=O)O CNP0283118.1 [1,0,1,0,0,0|1,0,0]=3 294 B7R0.5 NOCC(N)C(=O)O CNP0338620.0 [1,0,1,0,0,0|2,0,0]=4 295 B7R0.5 N[C@@H](CC=O)C(=O)O CNP0119915.1 [1,0,1,0,0,0|0,0,2]=4 296 B7R0.5 N[C@@H](CCO)C(=O)O CNP0287745.2 [1,0,1,0,0,0|0,0,0]=2 297 B7R0.5 N[C@@H](CCS)C(=O)O CNP0193002.1 [1,0,1,0,0,0|0,1,0]=3 298 B7R0.5 N[C@@H](CC[SeH])C(=O)O CNP0083667.1 [1,0,1,0,0,0|0,1,0]=3 299 B7R0.5 N[C@@H](CSO)C(=O)O CNP0559160.1 [1,0,1,0,0,0|1,0,0]=3 300 B7R0.5 N[C@@H](CSS)C(=O)O CNP0101794.1 [1,0,1,0,0,0|1,1,0]=4 301 B7R0.5 N[C@@H](CS[SeH])C(=O)O CNP0603953.1 [1,0,1,0,0,0|1,1,0]=4 302 B7R0.5 N[C@@H](C[S+]=O)C(=O)O CNP0587703.1 [1,0,1,0,0,0|1,0,1]=4 303 B7R0.5 N[C@H](CC=O)C(=O)O CNP0119915.2 [1,0,1,0,0,0|0,0,2]=4 304 B7R0.5 N[C@H](CCO)C(=O)O CNP0287745.3 [1,0,1,0,0,0|0,0,0]=2 305 B7R0.5 N[C@H](CCS)C(=O)O CNP0193002.2 [1,0,1,0,0,0|0,1,0]=3 306 B7R0.5 N[C@H](CSS)C(=O)O CNP0101794.2 [1,0,1,0,0,0|1,1,0]=4 307 B7R0.5 O=C(O)C(=O)CCO CNP0361332.0 [1,0,1,0,0,0|1,0,1]=4 308 B7R0.5 O=C(O)C(O)CCO CNP0218005.0 [1,0,1,0,0,0|1,0,0]=3 309 B7R0.6 CC(=O)CCC(=O)O CNP0267906.0 [1,0,1,0,0,0|0,0,2]=4 310 B7R0.6 CC(=O)CCC(C)C CNP0109911.0 [1,0,1,0,0,0|2,0,0]=4 311 B7R0.6 CC(C)CCC(=O)Cl CNP0308408.0 [1,0,1,0,0,0|2,0,0]=4 312 B7R0.6 CC(C)CCC(=O)N CNP0148296.0 [1,0,1,0,0,0|2,0,0]=4 313 B7R0.6 CC(C)CCC(=O)O CNP0414918.0 [1,0,1,0,0,0|1,0,0]=3 314 B7R0.6 CS(C)CCC(=O)O CNP0168459.0 [1,0,1,0,0,0|2,0,0]=4 315 B7R0.6 C[C@H](O)CCC(=O)O CNP0154959.1 [1,0,1,0,0,0|0,0,0]=2 316 B7R0.6 C[S+](C)CCC(=O)O CNP0349807.0 [1,0,1,0,0,0|2,0,0]=4 317 B7R0.6 C[S+](C)CCC(=O)O CNP0550706.0 [1,0,1,0,0,0|2,0,0]=4 318 B7R0.6 C[S@+]([O-])CCC(=O)O CNP0497394.1 [1,0,1,0,0,0|1,0,1]=4 319 B7R0.6 C[S](C)CCC(=O)O CNP0603322.0 [1,0,1,0,0,0|2,0,0]=4 320 B7R0.6 NC(=O)CCC(=O)O CNP0115008.0 [1,0,1,0,0,0|0,0,2]=4 321 B7R0.6 O=C(O)CCC(=O)O CNP0332012.0 [1,0,1,0,0,0|1,0,1]=4 322 B7R0.15 CC=C(CO)C(=O)O CNP0149577.0 [1,0,1,0,0,0|1,0,1]=4 323 B7R0.15 CC=C(NC)C(=O)O CNP0549286.0 [1,0,1,0,0,0|0,0,2]=4 324 B7R0.15 CCC(CC)C(=O)C CNP0229208.0 [1,0,1,0,0,0|2,0,0]=4 325 B7R0.15 CCC(CC)C(=O)Cl CNP0201828.0 [1,0,1,0,0,0|2,0,0]=4 326 B7R0.15 CCC(CC)C(=O)N CNP0189423.0 [1,0,1,0,0,0|2,0,0]=4 327 B7R0.15 CCC(CC)C(=O)O CNP0174903.0 [1,0,1,0,0,0|1,0,0]=3 328 B7R0.15 CCC(CO)C(=O)O CNP0245703.0 [1,0,1,0,0,0|1,0,0]=3 329 B7R0.15 CC[C@@H](NC)C(=O)O CNP0244843.1 [1,0,1,0,0,0|0,0,0]=2 330 B7R0.15 CN[C@@H](CN)C(=O)O CNP0572374.2 [1,0,1,0,0,0|1,0,0]=3 331 B7R0.15 CN[C@@H](CO)C(=O)O CNP0106958.1 [1,0,1,0,0,0|0,0,0]=2 332 B7R0.15 CN[C@H](CN)C(=O)O CNP0572374.1 [1,0,1,0,0,0|1,0,0]=3 333 B7R0.15 CN[C@H](CO)C(=O)O CNP0106958.2 [1,0,1,0,0,0|0,0,0]=2 334 B7R0.15 NC[C@@H](CO)C(=O)O CNP0523802.1 [1,0,1,0,0,0|2,0,0]=4 335 B7R0.2 CC(C)CC(N)C=O CNP0502927.0 [1,0,1,0,0,0|1,0,0]=3 336 B7R0.2 CC(C)CC(N)C=O CNP0510216.0 [1,0,1,0,0,0|1,0,0]=3 337 B7R0.2 CC(C)CC(N)C=O CNP0549122.0 [1,0,1,0,0,0|1,0,0]=3 338 B7R0.2 CC(C)CC(N)C=O CNP0579101.0 [1,0,1,0,0,0|1,0,0]=3 339 B7R0.2 CC(C)CC(N)C=O CNP0579301.0 [1,0,1,0,0,0|1,0,0]=3 340 B7R0.2 CC(C)CC(N)C=O CNP0595026.0 [1,0,1,0,0,0|1,0,0]=3 341 B7R0.2 CC(C)C[C@@H](N)CO CNP0295420.1 [1,0,1,0,0,0|1,0,1]=4 342 B7R0.2 CC(C)C[C@H](C)C=O CNP0563358.1 [1,0,1,0,0,0|2,0,0]=4 343 B7R0.2 CC(C)C[C@H](N)CO CNP0295420.2 [1,0,1,0,0,0|1,0,1]=4 344 B7R0.2 C[C@@H](O)C[C@H](N)C=O CNP0116023.1 [1,0,1,0,0,0|0,0,0]=2 345 B7R0.2 C[C@H](O)C[C@H](N)C=O CNP0116023.2 [1,0,1,0,0,0|0,0,0]=2 346 B7R0.2 N[C@H](C=O)CC(=O)O CNP0335008.1 [1,0,1,0,0,0|1,0,1]=4 347 B7R1.1 NC[C@@H]1CCCN1 CNP0565632.1 [2,0,0,0,0,0|1,0,1]=4 348 B7R1.1 O=CN1CCCC1 CNP0081536.0 [2,0,0,0,0,0|2,0,0]=4 349 B7R1.1 OC[C@@H]1CCCN1 CNP0083051.2 [2,0,0,0,0,0|0,0,1]=3 350 B7R1.1 OC[C@@H]1CCCO1 CNP0262830.1 [2,0,0,0,0,0|1,0,1]=4 351 B7R1.1 OC[C@H]1CCCN1 CNP0083051.1 [2,0,0,0,0,0|0,0,1]=3 352 B7R1.1 OC[C@H]1CCCO1 CNP0262830.2 [2,0,0,0,0,0|1,0,1]=4 353 B7R1.2 CC1CCC(C1)O CNP0608388.0 [2,0,0,0,0,0|1,0,1]=4 354 B7R1.2 CC1CNC(=O)C1 CNP0609130.0 [2,0,0,0,0,0|1,0,1]=4 355 B7R1.2 O=C1C[C@@H](CN1)O CNP0188830.1 [2,0,0,0,0,0|0,0,1]=3 356 B7R1.2 O=C1C[C@@H](CO1)O CNP0174638.1 [2,0,0,0,0,0|1,0,1]=4 357 B7R1.2 O=C1C[C@H](CN1)O CNP0188830.2 [2,0,0,0,0,0|0,0,1]=3 358 B7R1.2 O=C1C[C@H](CO1)O CNP0174638.2 [2,0,0,0,0,0|1,0,1]=4 359 B9R0.7 CC(CCC(=O)O)C(=O)O CNP0184293.0 [0,1,1,0,0,0|1,0,1]=4 360 B9R0.7 CC(O)CC[C@H](N)C(=O)O CNP0295098.1 [0,1,1,0,0,0|2,0,0]=4 361 B9R0.7 C[C@H](NCC(=O)O)C(=O)O CNP0313110.1 [0,1,1,0,0,0|0,0,1]=3 362 B9R0.7 C[C@H](O)CC[C@H](N)C(=O)O CNP0295098.2 [0,1,1,0,0,0|2,0,0]=4 363 B9R0.13 C=CCNC(CS)C(=O)O CNP0076452.0 [0,1,1,0,0,0|1,0,1]=4 364 B9R0.13 CCCC[C@@H](CC)C(=O)O CNP0333356.2 [0,1,1,0,0,0|2,0,0]=4 365 B9R0.13 CCCC[C@@H](NC)C(=O)O CNP0058018.2 [0,1,1,0,0,0|2,0,0]=4 366 B9R0.13 CCCC[C@H](CC)C(=O)O CNP0333356.1 [0,1,1,0,0,0|2,0,0]=4 367 B9R0.13 CCCC[C@H](NC)C(=O)O CNP0058018.1 [0,1,1,0,0,0|2,0,0]=4 368 B9R0.13 CN[C@@H](CCCN)C(=O)O CNP0395461.1 [0,1,1,0,0,0|2,0,0]=4 369 B9R0.42 C[C@@H](NC(=O)CN)C(=O)O CNP0299268.2 [0,1,1,0,0,0|1,0,1]=4 370 B9R0.42 C[C@H](NC(=O)CN)C(=O)O CNP0299268.1 [0,1,1,0,0,0|1,0,1]=4 371 B9R0.42 N[C@@H](C[C@H](O)CO)C(=O)O CNP0364941.1 [0,1,1,0,0,0|2,0,0]=4 372 B9R0.42 O=C(O)C(O)CC(O)CO CNP0583941.0 [0,1,1,0,0,0|2,0,0]=4 373 B9R0.47 CC(CSCCN)C(=O)O CNP0002353.0 [0,1,1,0,0,0|2,0,0]=4 374 B9R0.47 CCCCC[C@@H](C)C(=O)O CNP0262834.1 [0,1,1,0,0,0|2,0,0]=4 375 B9R0.47 N[C@@H](CCCCO)C(=O)O CNP0105740.1 [0,1,1,0,0,0|2,0,0]=4 376 B9R0.47 N[C@@H](CCCNO)C(=O)O CNP0203401.1 [0,1,1,0,0,0|2,0,0]=4 377 B9R0.47 N[C@@H](CCSCO)C(=O)O CNP0246797.1 [0,1,1,0,0,0|2,0,0]=4 378 B9R0.47 N[C@@H](CSCCO)C(=O)O CNP0350927.1 [0,1,1,0,0,0|2,0,0]=4 379 B9R0.47 N[C@H](CCCCO)C(=O)O CNP0105740.2 [0,1,1,0,0,0|2,0,0]=4 380 B9R0.47 N[C@H](CCCNO)C(=O)O CNP0203401.2 [0,1,1,0,0,0|2,0,0]=4 381 B9R0.23 CC[C@H](C)[C@H](N)CC(=O)O CNP0415773.1 [0,1,1,0,0,0|2,0,0]=4 382 B9R0.23 O=C(O)C[C@H](O)[C@H](O)CO CNP0393490.1 [0,1,1,0,0,0|1,0,0]=3 383 B9R0.24 CCC(C)CCC(=O)OC CNP0076942.0 [0,1,1,0,0,0|2,0,0]=4 384 B9R0.24 COC(=O)CCC(=O)CN CNP0363549.0 [0,1,1,0,0,0|0,0,2]=4 385 B9R0.48 CCC[C@@H](N)CCC(=O)O CNP0360374.1 [0,1,1,0,0,0|2,0,0]=4 386 B9R0.48 CCC[C@@H](O)CCC(=O)O CNP0457735.2 [0,1,1,0,0,0|1,0,0]=3 387 B9R0.48 CCC[C@H](N)CCC(=O)O CNP0360374.2 [0,1,1,0,0,0|2,0,0]=4 388 B9R0.48 CCC[C@H](O)CCC(=O)O CNP0457735.1 [0,1,1,0,0,0|1,0,0]=3 389 B9R0.48 NCNC(=O)CCC(=O)O CNP0599954.0 [0,1,1,0,0,0|0,0,2]=4 390 B9R0.12 CN[C@@H](COC)C(=O)OC CNP0562303.1 [0,1,1,0,0,0|2,0,0]=4 391 B9R0.12 CN[C@H](COC)C(=O)OC CNP0562303.2 [0,1,1,0,0,0|2,0,0]=4 392 B9R0.15 CCCC(CCC)C(=O)O CNP0384704.0 [0,1,1,0,0,0|2,0,0]=4 393 B9R0.29 CC[C@@H](C)[C@@H](NC)C(=O)O CNP0218334.2 [0,1,1,0,0,0|1,0,0]=3 394 B9R0.29 CC[C@@H](C)[C@H](NC)C(=O)O CNP0218334.4 [0,1,1,0,0,0|1,0,0]=3 395 B9R0.29 CC[C@@H](O)[C@H](NC)C(=O)O CNP0169081.1 [0,1,1,0,0,0|1,0,0]=3 396 B9R0.29 CC[C@H](C)[C@@H](NC)C(=O)O CNP0218334.1 [0,1,1,0,0,0|1,0,0]=3 397 B9R0.29 CC[C@H](C)[C@H](NC)C(=O)O CNP0218334.3 [0,1,1,0,0,0|1,0,0]=3 398 B9R0.33 CCCC(C(=O)O)C(C)C CNP0499654.0 [0,1,1,0,0,0|2,0,0]=4 399 B9R0.39 CC(C)C[C@H](NO)C(=O)O CNP0205469.1 [0,1,1,0,0,0|2,0,0]=4 400 B9R0.39 CN[C@@H](CC(=O)O)C(=O)O CNP0177941.1 [0,1,1,0,0,0|0,0,1]=3 401 B9R0.39 CN[C@@H](CC(C)C)C(=O)O CNP0299896.1 [0,1,1,0,0,0|1,0,0]=3 402 B9R0.39 CN[C@H](CC(=O)O)C(=O)O CNP0177941.2 [0,1,1,0,0,0|0,0,1]=3 403 B9R0.39 CN[C@H](CC(C)C)C(=O)O CNP0299896.2 [0,1,1,0,0,0|1,0,0]=3 404 B9R0.39 O=C(O)C[C@H](NO)C(=O)O CNP0495196.1 [0,1,1,0,0,0|1,0,1]=4 405 B9R0.10 CC(C)C[C@@H](N)P(=O)(O)O CNP0326502.2 [0,1,1,0,0,0|2,0,0]=4 406 B9R0.10 CC(C)C[C@H](N)P(=O)(O)O CNP0326502.1 [0,1,1,0,0,0|2,0,0]=4 407 B9R0.11 CC(C)C[C@](C)(N)C(=O)O CNP0508050.1 [0,1,1,0,0,0|1,0,0]=3 408 B9R0.11 C[C@](N)(CC(=O)O)C(=O)O CNP0128541.1 [0,1,1,0,0,0|1,0,1]=4 409 B9R0.57 CC(C)(O)C[C@H](N)C(=O)O CNP0190763.1 [0,1,1,0,0,0|0,0,0]=2 410 B9R0.57 C[Se](=O)(=O)C[C@H](N)C(=O)O CNP0250364.1 [0,1,1,0,0,0|1,0,1]=4 411 B9R0.57 N[C@@H](CP(=O)(O)O)C(=O)O CNP0302280.1 [0,1,1,0,0,0|2,0,0]=4 412 B9R0.57 N[C@@H](CS(=O)(=O)O)C(=O)O CNP0171540.1 [0,1,1,0,0,0|2,0,0]=4 413 B9R0.57 N[C@@H](C[Se](=O)(=O)O)C(=O)O CNP0178375.1 [0,1,1,0,0,0|2,0,0]=4 414 B9R0.57 N[C@H](CP(=O)(O)O)C(=O)O CNP0302280.2 [0,1,1,0,0,0|2,0,0]=4 415 B9R0.57 N[C@H](CS(=O)(=O)O)C(=O)O CNP0171540.2 [0,1,1,0,0,0|2,0,0]=4 416 B9R0.57 [2H]C([2H])([2H])C[C@H](N)C(=O)O CNP0243222.2 [0,1,1,0,0,0|2,0,0]=4 417 B9R0.79 CC(=O)[C@@H](C)[C@H](N)C(=O)O CNP0368722.1 [0,1,1,0,0,0|0,0,2]=4 418 B9R0.79 CC(C)C(C)C(C)C(=O)O CNP0612187.0 [0,1,1,0,0,0|2,0,0]=4 419 B9R0.79 CC(C)[C@@H](O)[C@H](N)C(=O)O CNP0145515.1 [0,1,1,0,0,0|1,0,0]=3 420 B9R0.79 CC(C)[C@H](O)[C@H](N)C(=O)O CNP0145515.2 [0,1,1,0,0,0|1,0,0]=3 421 B9R0.79 CC(O)[C@H](C)[C@H](N)C(=O)O CNP0207254.1 [0,1,1,0,0,0|0,0,0]=2 422 B9R0.79 C[C@@H](C(=O)O)[C@H](N)C(=O)O CNP0165783.3 [0,1,1,0,0,0|1,0,1]=4 423 B9R0.79 C[C@@H](O)[C@@H](O)[C@@H](O)C(=O)O CNP0145272.1 [0,1,1,0,0,0|1,0,0]=3 424 B9R0.79 C[C@@H]([C@@H](C)O)[C@@H](N)C(=O)O CNP0207254.6 [0,1,1,0,0,0|0,0,0]=2 425 B9R0.79 C[C@@H]([C@H](C)O)[C@@H](N)C(=O)O CNP0207254.7 [0,1,1,0,0,0|0,0,0]=2 426 B9R0.79 C[C@@H]([C@H](C)O)[C@H](N)C(=O)O CNP0207254.3 [0,1,1,0,0,0|0,0,0]=2 427 B9R0.79 C[C@@H]([C@H](N)C(=O)O)[C@@H](C)O CNP0207254.4 [0,1,1,0,0,0|0,0,0]=2 428 B9R0.79 C[C@H](C(=O)O)[C@@H](N)C(=O)O CNP0165783.1 [0,1,1,0,0,0|1,0,1]=4 429 B9R0.79 C[C@H](C(=O)O)[C@H](N)C(=O)O CNP0165783.2 [0,1,1,0,0,0|1,0,1]=4 430 B9R0.79 C[C@H]([C@@H](C)O)[C@@H](N)C(=O)O CNP0207254.5 [0,1,1,0,0,0|0,0,0]=2 431 B9R0.79 C[C@H]([C@H](N)C(=O)O)[C@@H](C)O CNP0207254.2 [0,1,1,0,0,0|0,0,0]=2 432 B9R0.79 N[C@@H](C(=O)O)[C@@H](O)C(=O)O CNP0233335.3 [0,1,1,0,0,0|1,0,1]=4 433 B9R0.79 N[C@@H](C(=O)O)[C@H](O)C(=O)O CNP0233335.4 [0,1,1,0,0,0|1,0,1]=4 434 B9R0.79 N[C@H](C(=O)O)[C@@H](O)C(=O)O CNP0233335.2 [0,1,1,0,0,0|1,0,1]=4 435 B9R0.79 N[C@H](C(=O)O)[C@H](N)C(=O)O CNP0266358.1 [0,1,1,0,0,0|1,0,1]=4 436 B9R0.79 N[C@H](C(=O)O)[C@H](O)C(=O)O CNP0233335.1 [0,1,1,0,0,0|1,0,1]=4 437 B9R0.1 CCC(C)CCCC(=O)O CNP0085923.0 [0,1,1,0,0,0|2,0,0]=4 438 B9R0.1 COC(=O)CCCC(C)C CNP0354056.0 [0,1,1,0,0,0|2,0,0]=4 439 B9R0.53 CC(C)CC(N)CC(=O)O CNP0415809.0 [0,1,1,0,0,0|2,0,0]=4 440 B9R0.53 CC(C)CC(O)CC(=O)O CNP0002352.0 [0,1,1,0,0,0|2,0,0]=4 441 B9R0.53 C[C@H](N)CC(=O)CC(=O)O CNP0136260.1 [0,1,1,0,0,0|2,0,0]=4 442 B9R0.53 C[C@H](N)C[C@H](N)CC(=O)O CNP0118793.1 [0,1,1,0,0,0|2,0,0]=4 443 B9R0.56 O=C(O)CNCP(=O)(O)O CNP0340108.0 [0,1,1,0,0,0|2,0,0]=4 444 B9R1.132 OC[C@@H]1NC[C@@H]([C@@H]1O)O CNP0229859.7 [1,1,0,0,0,0|0,0,1]=3 445 B9R1.132 OC[C@@H]1NC[C@@H]([C@H]1O)O CNP0229859.6 [1,1,0,0,0,0|0,0,1]=3 446 B9R1.132 OC[C@@H]1NC[C@H]([C@@H]1O)O CNP0229859.8 [1,1,0,0,0,0|0,0,1]=3 447 B9R1.132 OC[C@@H]1NC[C@H]([C@H]1O)O CNP0229859.5 [1,1,0,0,0,0|0,0,1]=3 448 B9R1.132 OC[C@@H]1OC[C@H]([C@@H]1O)O CNP0039906.1 [1,1,0,0,0,0|1,0,1]=4 449 B9R1.132 OC[C@H]1NC[C@@H]([C@@H]1O)O CNP0229859.3 [1,1,0,0,0,0|0,0,1]=3 450 B9R1.132 OC[C@H]1NC[C@@H]([C@H]1O)O CNP0229859.2 [1,1,0,0,0,0|0,0,1]=3 451 B9R1.132 OC[C@H]1NC[C@H]([C@@H]1O)O CNP0229859.1 [1,1,0,0,0,0|0,0,1]=3 452 B9R1.132 OC[C@H]1NC[C@H]([C@H]1O)O CNP0229859.4 [1,1,0,0,0,0|0,0,1]=3 453 B9R1.132 OC[C@H]1SC[C@H]([C@@H]1O)O CNP0356032.1 [1,1,0,0,0,0|1,0,1]=4 454 B9R1.11 COC(=O)[C@@H]1C=CCC1 CNP0166268.1 [1,1,0,0,0,0|1,0,1]=4 455 B9R1.11 COC(=O)[C@H]1CCCN1 CNP0150193.1 [1,1,0,0,0,0|0,0,0]=2 456 B9R1.41 CN1CCC[C@@H]1C(=O)O CNP0209638.1 [1,1,0,0,0,0|0,0,0]=2 457 B9R1.41 CN1CCC[C@H]1C(=O)O CNP0209638.2 [1,1,0,0,0,0|0,0,0]=2 458 B9R1.41 C[C@@H]1C=CN[C@H]1C(=O)O CNP0506561.1 [1,1,0,0,0,0|0,0,2]=4 459 B9R1.41 C[C@@H]1CCC[C@H]1C(=O)O CNP0302447.1 [1,1,0,0,0,0|1,0,0]=3 460 B9R1.41 C[C@H]1CCC[C@@H]1C(=O)O CNP0302447.2 [1,1,0,0,0,0|1,0,0]=3 461 B9R1.41 NN1CCC[C@H]1C(=O)O CNP0198646.1 [1,1,0,0,0,0|0,0,0]=2 462 B9R1.41 N[C@@H]1CCC[C@H]1C(=O)O CNP0179700.2 [1,1,0,0,0,0|1,0,0]=3 463 B9R1.41 N[C@@H]1CCN[C@@H]1C(=O)O CNP0238258.3 [1,1,0,0,0,0|0,0,0]=2 464 B9R1.41 N[C@@H]1CCN[C@H]1C(=O)O CNP0238258.2 [1,1,0,0,0,0|0,0,0]=2 465 B9R1.41 N[C@H]1CCC[C@H]1C(=O)O CNP0179700.1 [1,1,0,0,0,0|1,0,0]=3 466 B9R1.41 N[C@H]1CCN[C@H]1C(=O)O CNP0238258.1 [1,1,0,0,0,0|0,0,0]=2 467 B9R1.41 O=C(O)N1CCCC1=O CNP0088387.0 [1,1,0,0,0,0|2,0,0]=4 468 B9R1.41 O=C(O)[C@@H]1CCCN1O CNP0236003.2 [1,1,0,0,0,0|0,0,0]=2 469 B9R1.41 O=C(O)[C@@H]1NCC[C@@H]1O CNP0193079.1 [1,1,0,0,0,0|0,0,0]=2 470 B9R1.41 O=C(O)[C@@H]1NCC[C@H]1O CNP0193079.3 [1,1,0,0,0,0|0,0,0]=2 471 B9R1.41 O=C(O)[C@H]1CCCN1O CNP0236003.1 [1,1,0,0,0,0|0,0,0]=2 472 B9R1.41 O=C(O)[C@H]1NCC[C@@H]1O CNP0193079.2 [1,1,0,0,0,0|0,0,0]=2 473 B9R1.41 O=C(O)[C@H]1NCC[C@H]1O CNP0193079.4 [1,1,0,0,0,0|0,0,0]=2 474 B9R1.163 CC1(NCCS1)C(=O)N CNP0304038.0 [1,1,0,0,0,0|2,0,0]=4 475 B9R1.163 C[C@]1(CCCN1)C(=O)O CNP0044930.1 [1,1,0,0,0,0|0,0,0]=2 476 B9R1.163 NC1(CCCC1)C(=O)O CNP0401519.0 [1,1,0,0,0,0|1,0,0]=3 477 B9R1.163 N[C@@]1(CCNC1)C(=O)O CNP0418958.2 [1,1,0,0,0,0|2,0,0]=4 478 B9R1.163 N[C@@]1(CCSC1)C(=O)O CNP0601612.1 [1,1,0,0,0,0|2,0,0]=4 479 B9R1.163 N[C@]1(CCNC1)C(=O)O CNP0418958.1 [1,1,0,0,0,0|2,0,0]=4 480 B9R1.163 N[C@]1(CCSC1)C(=O)O CNP0601612.2 [1,1,0,0,0,0|2,0,0]=4 481 B9R1.96 C/C=C/1\CN[C@@H]1C(=O)O CNP0331255.2 [0,1,0,0,1,0|1,0,1]=4 482 B9R1.96 C/C=C\1/CN[C@@H]1C(=O)O CNP0331255.1 [0,1,0,0,1,0|1,0,1]=4 483 B11R1.3 NC[C@H]1CC[C@@H](CC1)C(=O)O CNP0204071.1 [0,1,0,0,0,1|2,0,0]=4 484 B11R1.21 C[C@@H]1N[C@@H](CC[C@@H]1O)C(=O)O CNP0279818.2 [0,1,0,0,0,1|0,0,0]=2 485 B11R1.21 C[C@@H]1N[C@@H](CC[C@H]1O)C(=O)O CNP0279818.1 [0,1,0,0,0,1|0,0,0]=2 486 B11R1.21 O=C(O)C1=CC[C@H]([C@@H](C1)O)O CNP0081080.1 [0,1,0,0,0,1|1,0,1]=4 487 B11R1.21 O=C(O)C1=C[C@@H]([C@H](CO1)O)O CNP0565442.1 [0,1,0,0,0,1|1,0,1]=4 488 B11R1.21 O=C(O)[C@@H]1C[C@@H]([C@@H](CN1)O)O CNP0196662.2 [0,1,0,0,0,1|0,0,0]=2 489 B11R1.21 O=C(O)[C@@H]1C[C@@H]([C@H](CN1)O)O CNP0196662.1 [0,1,0,0,0,1|0,0,0]=2 490 B11R1.21 O=C(O)[C@@H]1C[C@@H]([C@H](CO1)O)O CNP0518569.1 [0,1,0,0,0,1|1,0,0]=3 491 B11R1.21 O=C(O)[C@@H]1C[C@H]([C@@H](CN1)O)O CNP0196662.4 [0,1,0,0,0,1|0,0,0]=2 492 B11R1.21 O=C(O)[C@@H]1C[C@H]([C@H](CN1)O)O CNP0196662.3 [0,1,0,0,0,1|0,0,0]=2 493 B11R1.166 C[C@H]1C[S+](C(CN1)C(=O)O)[O-] CNP0546022.1 [0,1,0,0,0,1|2,0,0]=4 494 B11R1.220 CC1CCC(CC1)(N)C(=O)O CNP0542248.0 [0,1,0,0,0,1|2,0,0]=4 495 B11R1.313 C[C@H]1[C@@H](CC[C@@H]1C)CC(=O)O CNP0391795.1 [0,1,0,0,0,1|2,0,0]=4 496 B11R1.23 COC(=O)[C@@H]1C[C@@H](CCN1)O CNP0041469.1 [0,1,0,0,0,1|0,0,0]=2 497 B11R1.74 C[C@@H]1C[S@+](C[C@H](N1)C(=O)O)[O-] CNP0570484.3 [0,1,0,0,0,1|1,0,1]=4 498 B11R1.74 C[C@@H]1C[S@H+](C[C@H](N1)C(=O)O)[O-] CNP0509943.2 [0,1,0,0,0,1|1,0,1]=4 499 B11R1.74 C[C@H]1C[S+](C[C@H](N1)C(=O)O)[O-] CNP0570484.2 [0,1,0,0,0,1|1,0,1]=4 500 B11R1.74 C[C@H]1C[S@+](C[C@H](N1)C(=O)O)[O-] CNP0570484.1 [0,1,0,0,0,1|1,0,1]=4 501 B11R1.74 C[C@H]1C[S@H+](C[C@H](N1)C(=O)O)[O-] CNP0509943.1 [0,1,0,0,0,1|1,0,1]=4 502 B11R1.159 O=C(O)C1NCCC(C1O)O CNP0528572.0 [0,1,0,0,0,1|0,0,0]=2 503 B11R1.159 O=C(O)[C@@H]1OCC[C@@H](C1=O)O CNP0270471.1 [0,1,0,0,0,1|1,0,1]=4 504 B11R1.167 CN1CC[C@@H](C[C@H]1C(=O)O)O CNP0239748.2 [0,1,0,0,0,1|0,0,0]=2 505 B11R1.167 CN1CC[C@H](C[C@H]1C(=O)O)O CNP0239748.1 [0,1,0,0,0,1|0,0,0]=2 506 B11R1.266 CO[C@@H]1CCN[C@H](C1)C(=O)O CNP0128045.2 [0,1,0,0,0,1|0,0,0]=2 507 B11R1.266 CO[C@H]1CCN[C@@H](C1)C(=O)O CNP0128045.1 [0,1,0,0,0,1|0,0,0]=2 508 B11R1.667 C[C@@H]1CCC[C@@](C1)(N)C(=O)O CNP0546770.4 [0,1,0,0,0,1|2,0,0]=4 509 B11R1.667 C[C@@H]1CCC[C@](C1)(N)C(=O)O CNP0546770.3 [0,1,0,0,0,1|2,0,0]=4 510 B11R1.667 C[C@H]1CCC[C@@](C1)(N)C(=O)O CNP0546770.1 [0,1,0,0,0,1|2,0,0]=4 511 B11R1.667 C[C@H]1CCC[C@](C1)(N)C(=O)O CNP0546770.2 [0,1,0,0,0,1|2,0,0]=4 512 B11R1.730 CC1(C[C@@H](CCO1)C(=O)O)C CNP0383185.1 [0,1,0,0,0,1|2,0,0]=4 513 B11R1.730 CC1(C[C@H](CCO1)C(=O)O)C CNP0383185.2 [0,1,0,0,0,1|2,0,0]=4 514 B11R1.226 COC(=O)[C@@H]1C[C@H](C(=O)N1)O CNP0306375.1 [0,2,0,0,0,0|0,0,1]=3 515 B11R1.226 COC(=O)[C@H]1C[C@@H](C(=O)N1)O CNP0306375.2 [0,2,0,0,0,0|0,0,1]=3 516 B11R1.865 O=C[C@@H](O)[C@@H]1OC[C@@H]([C@H]1O)O CNP0213837.2 [0,2,0,0,0,0|1,0,1]=4 517 B11R1.865 O=C[C@H](O)[C@H]1OC[C@H]([C@@H]1O)O CNP0213837.1 [0,2,0,0,0,0|1,0,1]=4 518 B11R1.48 O=C(O)[C@@H]1C[C@@H]([C@H](N1)CO)O CNP0371477.1 [0,2,0,0,0,0|0,0,0]=2 519 B11R1.50 CO[C@@H]1C[C@H](N(C1)C)C(=O)O CNP0104577.2 [0,2,0,0,0,0|0,0,0]=2 520 B11R1.50 CO[C@H]1C[C@@H](N(C1)C)C(=O)O CNP0104577.1 [0,2,0,0,0,0|0,0,0]=2 521 B11R1.50 C[C@@H]1C[C@H](N[C@H]1C(=O)O)NO CNP0537372.1 [0,2,0,0,0,0|2,0,0]=4 522 B11R1.124 C/C=C/[C@H]1CN[C@@H](C1)C(=O)O CNP0436033.1 [0,2,0,0,0,0|1,0,0]=3 523 B11R1.175 O=C(O)C1CC(SS1)C(=O)O CNP0108969.0 [0,2,0,0,0,0|2,0,0]=4 524 B11R1.175 O=C(O)C1CCC(O1)C(=O)O CNP0206418.0 [0,2,0,0,0,0|2,0,0]=4 525 B11R1.175 O=C(O)C1CCC(S1)C(=O)O CNP0265299.0 [0,2,0,0,0,0|2,0,0]=4 526 B11R1.175 O=C(O)[C@@H]1CC[C@H](N1)C(=O)O CNP0017949.1 [0,2,0,0,0,0|2,0,0]=4 527 B11R1.175 O=C(O)[C@@H]1CC[C@H]([Se]1)C(=O)O CNP0124231.1 [0,2,0,0,0,0|2,0,0]=4 528 B11R1.175 O=C(O)[C@@H]1CN[C@@H](C1)C(=O)O CNP0178994.1 [0,2,0,0,0,0|0,0,0]=2 529 B11R1.175 O=C(O)[C@@H]1CN[C@H](C1)C(=O)O CNP0178994.4 [0,2,0,0,0,0|0,0,0]=2 530 B11R1.175 O=C(O)[C@H]1CN[C@@H](C1)C(=O)O CNP0178994.3 [0,2,0,0,0,0|0,0,0]=2 531 B11R1.175 O=C(O)[C@H]1CN[C@H](C1)C(=O)O CNP0178994.2 [0,2,0,0,0,0|0,0,0]=2 532 B11R1.672 C=C1[C@@H](C[C@H](N1C)C(=O)O)C CNP0320541.1 [0,2,0,0,0,0|1,0,1]=4 533 B11R1.672 CC(=O)[C@@H]1O[C@H]([C@@H]([C@H]1O)O)O CNP0318989.1 [0,2,0,0,0,0|2,0,0]=4 534 B11R1.672 C[C@@H]1C[C@H](N([C@H]1C)C)C(=O)O CNP0138865.1 [0,2,0,0,0,0|1,0,0]=3 535 B11R1.672 O=C(O)[C@@H]1O[C@H]([C@@H]([C@H]1O)O)O CNP0279410.1 [0,2,0,0,0,0|1,0,0]=3 536 B11R1.489 C[N+]1(CC(C[C@@H]1C(=O)[O-])O)C CNP0115471.5 [0,2,0,0,0,0|0,0,2]=4 537 B11R1.489 C[N+]1(C[C@@H](C[C@@H]1C(=O)[O-])O)C CNP0115471.4 [0,2,0,0,0,0|0,0,2]=4 538 B11R1.489 C[N+]1(C[C@@H](C[C@H]1C(=O)O)O)C CNP0591978.1 [0,2,0,0,0,0|0,0,1]=3 539 B11R1.489 C[N+]1(C[C@@H](C[C@H]1C(=O)[O-])O)C CNP0115471.3 [0,2,0,0,0,0|0,0,2]=4 540 B11R1.489 C[N+]1(C[C@H](C[C@@H]1C(=O)[O-])O)C CNP0115471.2 [0,2,0,0,0,0|0,0,2]=4 541 B11R1.489 C[N+]1(C[C@H](C[C@H]1C(=O)[O-])O)C CNP0115471.1 [0,2,0,0,0,0|0,0,2]=4 542 B9R1.5 C[C@H]1CCCCOC1=O CNP0187217.1 [0,0,1,1,0,0|2,0,0]=4 543 B9R1.6 NC(=O)[C@@H]1CCCCN1 CNP0291303.1 [0,0,1,1,0,0|2,0,0]=4 544 B9R1.6 NC(=O)[C@@H]1CNCCN1 CNP0439932.1 [0,0,1,1,0,0|2,0,0]=4 545 B9R1.6 NC(=O)[C@H]1CNCCN1 CNP0439932.2 [0,0,1,1,0,0|2,0,0]=4 546 B9R1.6 O=C(O)C1CCCCC1 CNP0244214.0 [0,0,1,1,0,0|2,0,0]=4 547 B9R1.6 O=C(O)[C@@H]1CC=CCN1 CNP0116904.1 [0,0,1,1,0,0|1,0,1]=4 548 B9R1.6 O=C(O)[C@@H]1CCCCN1 CNP0148927.2 [0,0,1,1,0,0|1,0,0]=3 549 B9R1.6 O=C(O)[C@@H]1CCCNC1 CNP0137943.1 [0,0,1,1,0,0|2,0,0]=4 550 B9R1.6 O=C(O)[C@@H]1CCCNN1 CNP0122625.2 [0,0,1,1,0,0|2,0,0]=4 551 B9R1.6 O=C(O)[C@@H]1CSCCN1 CNP0414195.1 [0,0,1,1,0,0|0,1,0]=3 552 B9R1.6 O=C(O)[C@H]1CCCCN1 CNP0148927.1 [0,0,1,1,0,0|1,0,0]=3 553 B9R1.6 O=C(O)[C@H]1CCCNC1 CNP0137943.2 [0,0,1,1,0,0|2,0,0]=4 554 B9R1.6 O=C(O)[C@H]1CCCNN1 CNP0122625.1 [0,0,1,1,0,0|2,0,0]=4 555 B9R1.6 O=[14C](O)[C@H]1CCCCN1 CNP0148927.3 [0,0,1,1,0,0|1,0,0]=3 556 B9R1.69 C[C@@H]1CC[C@@H](C(=O)O1)C CNP0186029.3 [0,0,1,1,0,0|2,0,0]=4 557 B9R1.69 C[C@@H]1CC[C@@H](OC1=O)C CNP0186029.1 [0,0,1,1,0,0|2,0,0]=4 558 B9R1.69 C[C@@H]1CC[C@H](C(=O)O1)C CNP0186029.2 [0,0,1,1,0,0|2,0,0]=4 559 B9R1.112 C[C@H](NC1CC1)C(=O)O CNP0492619.1 [0,0,1,1,0,0|1,0,0]=3 560 B9R1.112 N[C@@H](C[C@H]1CO1)C(=O)O CNP0511777.1 [0,0,1,1,0,0|2,0,0]=4 561 B9R1.161 O=C(O)[C@H]1N[C@@H]1C(=O)O CNP0156205.1 [0,0,1,1,0,0|1,0,1]=4 562 B9R1.161 O=C(O)[C@H]1N[C@H]1C(=O)O CNP0156205.2 [0,0,1,1,0,0|1,0,1]=4 563 B9R1.85 O=C(O)CCCC1CC1 CNP0252470.0 [0,0,1,1,0,0|2,0,0]=4 564 B9R2.39 O=C1C[C@H]2CC[C@@H]1C2 CNP0573835.1 [1,0,0,1,0,0|2,0,0]=4 565 B9R2.39 OC1CC2C=CC1C2 CNP0506410.0 [1,0,0,1,0,0|2,0,0]=4 566 B9R2.150 O=C(O)[C@H]1N[C@H]2[C@@H]1C2 CNP0249310.1 [1,0,0,1,0,0|0,0,0]=2 567 B9R2.19 O=C1CCC2CC1C2 CNP0336900.0 [0,0,0,1,1,0|2,0,0]=4 568 B11R2.68 O[C@@H]1C[C@H]2N[C@H]1CC[C@@H]2O CNP0076318.1 [0,0,0,1,0,1|1,0,1]=4 569 B11R2.434 O[C@@H]1C[C@@H]2C[C@H]([C@H](C1)N2)O CNP0177309.1 [0,0,0,1,0,1|1,0,1]=4 570 B11R2.434 O[C@H]1C[C@@H]2C[C@H]([C@H](C1)N2)O CNP0177309.2 [0,0,0,1,0,1|1,0,1]=4 571 B11R2.845 O=C(O)[C@@H]1C[C@@H]2CC[C@H]1C2 CNP0211377.3 [0,0,0,1,0,1|2,0,0]=4 572 B11R2.845 O=C(O)[C@@H]1C[C@H]2CC[C@@H]1C2 CNP0211377.1 [0,0,0,1,0,1|2,0,0]=4 573 B11R2.845 O=C(O)[C@H]1C[C@H]2CC[C@@H]1C2 CNP0211377.2 [0,0,0,1,0,1|2,0,0]=4 574 B7R0.16 C=C(C(=O)O)[C@@H](C)O CNP0180552.2 [0,0,1,0,1,0|1,0,1]=4 575 B7R0.16 C=C(C(=O)O)[C@H](C)O CNP0180552.1 [0,0,1,0,1,0|1,0,1]=4 576 B7R0.16 CC(=O)[C@H](N)C(=O)O CNP0211201.1 [0,0,1,0,1,0|0,0,2]=4 577 B7R0.16 CC(C)[C@@H](N)C(=O)O CNP0152507.2 [0,0,1,0,1,0|1,0,0]=3 578 B7R0.16 CC(C)[C@@H](O)C(=O)O CNP0267024.1 [0,0,1,0,1,0|2,0,0]=4 579 B7R0.16 CC(C)[C@H](N)C(=O)O CNP0152507.1 [0,0,1,0,1,0|1,0,0]=3 580 B7R0.16 CC(C)[C@H](O)C(=O)O CNP0267024.2 [0,0,1,0,1,0|2,0,0]=4 581 B7R0.16 CC(O)C(O)C(=O)N CNP0028681.0 [0,0,1,0,1,0|2,0,0]=4 582 B7R0.16 C[C@@H](Br)[C@@H](Br)C(=O)O CNP0447694.2 [0,0,1,0,1,0|2,0,0]=4 583 B7R0.16 C[C@@H](Br)[C@H](Br)C(=O)O CNP0447694.4 [0,0,1,0,1,0|2,0,0]=4 584 B7R0.16 C[C@@H](N)[C@@H](N)C(=O)O CNP0271750.2 [0,0,1,0,1,0|1,0,0]=3 585 B7R0.16 C[C@@H](N)[C@H](N)C(=O)O CNP0271750.3 [0,0,1,0,1,0|1,0,0]=3 586 B7R0.16 C[C@@H](O)C(=O)C(=O)O CNP0287171.1 [0,0,1,0,1,0|1,0,1]=4 587 B7R0.16 C[C@@H](O)C(N)C(=O)O CNP0361197.2 [0,0,1,0,1,0|0,0,0]=2 588 B7R0.16 C[C@@H](O)[C@@H](C)C(=O)O CNP0176980.1 [0,0,1,0,1,0|1,0,0]=3 589 B7R0.16 C[C@@H](O)[C@@H](N)C(=O)O CNP0361197.5 [0,0,1,0,1,0|0,0,0]=2 590 B7R0.16 C[C@@H](O)[C@@H](O)C(=O)O CNP0082312.1 [0,0,1,0,1,0|1,0,0]=3 591 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O CNP0361197.1 [0,0,1,0,1,0|0,0,0]=2 592 B7R0.16 C[C@@H](O)[C@H](O)C(=O)O CNP0082312.2 [0,0,1,0,1,0|1,0,0]=3 593 B7R0.16 C[C@@H](S)[C@@H](N)C(=O)O CNP0290431.3 [0,0,1,0,1,0|0,1,0]=3 594 B7R0.16 C[C@@H](S)[C@H](N)C(=O)O CNP0290431.1 [0,0,1,0,1,0|0,1,0]=3 595 B7R0.16 C[C@H](Br)[C@@H](Br)C(=O)O CNP0447694.1 [0,0,1,0,1,0|2,0,0]=4 596 B7R0.16 C[C@H](Br)[C@H](Br)C(=O)O CNP0447694.3 [0,0,1,0,1,0|2,0,0]=4 597 B7R0.16 C[C@H](C(=O)O)[C@@H](C)O CNP0176980.3 [0,0,1,0,1,0|1,0,0]=3 598 B7R0.16 C[C@H](N)[C@@H](N)C(=O)O CNP0271750.4 [0,0,1,0,1,0|1,0,0]=3 599 B7R0.16 C[C@H](N)[C@H](N)C(=O)O CNP0271750.1 [0,0,1,0,1,0|1,0,0]=3 600 B7R0.16 C[C@H](O)[C@@H](C)C(=O)O CNP0176980.2 [0,0,1,0,1,0|1,0,0]=3 601 B7R0.16 C[C@H](O)[C@@H](N)C(=O)O CNP0361197.4 [0,0,1,0,1,0|0,0,0]=2 602 B7R0.16 C[C@H](O)[C@H](C)C(=O)O CNP0176980.4 [0,0,1,0,1,0|1,0,0]=3 603 B7R0.16 C[C@H](O)[C@H](N)C(=O)N CNP0419355.1 [0,0,1,0,1,0|1,0,0]=3 604 B7R0.16 C[C@H](O)[C@H](N)C(=O)O CNP0361197.3 [0,0,1,0,1,0|0,0,0]=2 605 B7R0.16 C[C@H](S)[C@@H](N)C(=O)O CNP0290431.2 [0,0,1,0,1,0|0,1,0]=3 606 B7R0.16 C[C@H](S)[C@H](N)C(=O)O CNP0290431.4 [0,0,1,0,1,0|0,1,0]=3 607 B7R0.16 NC(C(=O)O)C(=O)O CNP0385563.0 [0,0,1,0,1,0|1,0,1]=4 608 B7R0.16 [13CH3][13CH]([13CH3])[13C@H]([15NH2])[13C](=O)O CNP0152507.4 [0,0,1,0,1,0|1,0,0]=3 609 B7R1.18 CC(=O)C1CCS1 CNP0002501.0 [1,0,0,0,1,0|2,0,0]=4 610 B7R1.18 O=C(O)[C@@H]1CCN1 CNP0146840.1 [1,0,0,0,1,0|0,0,0]=2 611 B7R1.18 O=C(O)[C@H]1CCN1 CNP0146840.2 [1,0,0,0,1,0|0,0,0]=2 612 B9R0.14 COC(=CC(=O)O)CCO CNP0423420.0 [0,0,1,0,0,1|1,0,1]=4 613 B9R0.55 CC(C)CCCCC(=O)O CNP0196819.0 [0,0,1,0,0,1|2,0,0]=4 614 B9R0.55 CC(O)C=CCCC(=O)O CNP0612153.0 [0,0,1,0,0,1|1,0,1]=4 615 B9R0.55 O=C(O)CCNCC(=O)O CNP0174380.0 [0,0,1,0,0,1|1,0,1]=4 616 B9R1.13 CC(=O)C[C@@H]1CCCN1 CNP0147247.2 [1,0,0,0,0,1|1,0,0]=3 617 B9R1.13 CC(=O)C[C@H]1CCCN1 CNP0147247.1 [1,0,0,0,0,1|1,0,0]=3 618 B9R1.13 CC(O)CC1CCCN1 CNP0502061.0 [1,0,0,0,0,1|1,0,1]=4 619 B9R1.13 O=C(O)CC1CCCC1 CNP0381828.0 [1,0,0,0,0,1|1,0,0]=3 620 B9R1.13 O=C(O)CC1CCCS1 CNP0050808.0 [1,0,0,0,0,1|1,0,0]=3 621 B9R1.13 O=C(O)C[C@@H]1C=CCC1 CNP0371740.1 [1,0,0,0,0,1|1,0,1]=4 622 B9R1.13 O=C(O)C[C@@H]1CCCN1 CNP0390024.1 [1,0,0,0,0,1|0,0,0]=2 623 B9R1.13 O=C(O)C[C@H]1C=CCC1 CNP0371740.2 [1,0,0,0,0,1|1,0,1]=4 624 B11R1.20 CC(=O)OC1CCC(CC1)O CNP0585597.0 [0,0,0,0,0,2|2,0,0]=4 625 B11R1.20 CC1CCC(CC1)CC(=O)O CNP0347676.0 [0,0,0,0,0,2|2,0,0]=4 626 B11R1.20 O=C(O)C[C@H]1CC[C@@H](CC1)O CNP0084903.1 [0,0,0,0,0,2|1,0,0]=3