0 B9R0.47 C/C=C/SC[C@H](N)C(=O)O CNP0158331.1 [0,0,0,0,0,0|0,0,2]=2 1 B9R0.47 C/C=C\SC[C@H](N)C(=O)O CNP0158331.2 [0,0,0,0,0,0|0,0,2]=2 2 B9R0.47 C=CCSC[C@@H](N)C(=O)O CNP0206886.1 [0,0,0,0,0,0|0,0,0]=0 3 B9R0.47 C=CCSC[C@H](N)C(=O)O CNP0206886.2 [0,0,0,0,0,0|0,0,0]=0 4 B9R0.47 CC(CSCCN)C(=O)O CNP0002353.0 [0,0,0,0,0,0|2,0,1]=3 5 B9R0.47 CCCCC[C@@H](C)C(=O)O CNP0262834.1 [0,0,0,0,0,0|2,0,2]=4 6 B9R0.47 CCCCC[C@@H](N)C(=O)O CNP0193634.1 [0,0,0,0,0,0|1,0,2]=3 7 B9R0.47 CCCCC[C@@H](O)C(=O)O CNP0135339.2 [0,0,0,0,0,0|2,0,2]=4 8 B9R0.47 CCCCC[C@H](N)C(=O)O CNP0193634.2 [0,0,0,0,0,0|1,0,2]=3 9 B9R0.47 CCCCC[C@H](O)C(=O)O CNP0135339.1 [0,0,0,0,0,0|2,0,2]=4 10 B9R0.47 CCCSC[C@H](N)C(=O)O CNP0231801.1 [0,0,0,0,0,0|0,0,2]=2 11 B9R0.47 CCNCC[C@H](N)C(=O)O CNP0373665.1 [0,0,0,0,0,0|2,0,2]=4 12 B9R0.47 CCOCC[C@H](N)C(=O)O CNP0109857.1 [0,0,0,0,0,0|2,0,2]=4 13 B9R0.47 CCSCC[C@@H](N)C(=O)O CNP0415767.2 [0,0,0,0,0,0|2,0,2]=4 14 B9R0.47 CCSCC[C@H](N)C(=O)O CNP0415767.1 [0,0,0,0,0,0|2,0,2]=4 15 B9R0.47 CC[Se]CCC(N)C(=O)O CNP0076033.0 [0,0,0,0,0,0|2,0,2]=4 16 B9R0.47 CNCCC[C@H](N)C(=O)O CNP0022631.1 [0,0,0,0,0,0|2,0,1]=3 17 B9R0.47 CSCCC[C@@H](N)C(=O)O CNP0165905.2 [0,0,0,0,0,0|2,0,1]=3 18 B9R0.47 CSCCC[C@H](N)C(=O)O CNP0165905.1 [0,0,0,0,0,0|2,0,1]=3 19 B9R0.47 CSCSC[C@H](N)C(=O)O CNP0280822.1 [0,0,0,0,0,0|1,0,1]=2 20 B9R0.47 NC/C=C/C[C@H](N)C(=O)O CNP0332600.1 [0,0,0,0,0,0|2,0,2]=4 21 B9R0.47 NCCCC[C@@H](N)C(=O)O CNP0204700.3 [0,0,0,0,0,0|2,0,1]=3 22 B9R0.47 NCCCC[C@H](N)C(=O)N CNP0386229.1 [0,0,0,0,0,0|3,0,1]=4 23 B9R0.47 NCCCC[C@H](N)C(=O)O CNP0204700.1 [0,0,0,0,0,0|2,0,1]=3 24 B9R0.47 NCCOC[C@@H](N)C(=O)O CNP0214099.2 [0,0,0,0,0,0|1,1,1]=3 25 B9R0.47 NCCOC[C@H](N)C(=O)O CNP0214099.1 [0,0,0,0,0,0|1,1,1]=3 26 B9R0.47 NCCSC[C@H](N)C(=O)O CNP0297414.1 [0,0,0,0,0,0|1,0,1]=2 27 B9R0.47 NCC[13CH2]C[C@H](N)C(=O)O CNP0204700.2 [0,0,0,0,0,0|2,0,1]=3 28 B9R0.47 N[C@@H](CCCC=O)C(=O)O CNP0258672.1 [0,0,0,0,0,0|2,0,0]=2 29 B9R0.47 N[C@@H](CCCCO)C(=O)O CNP0105740.1 [0,0,0,0,0,0|2,0,1]=3 30 B9R0.47 N[C@@H](CCCNO)C(=O)O CNP0203401.1 [0,0,0,0,0,0|3,0,0]=3 31 B9R0.47 N[C@@H](CCSCO)C(=O)O CNP0246797.1 [0,0,0,0,0,0|3,0,1]=4 32 B9R0.47 N[C@@H](CSCCO)C(=O)O CNP0350927.1 [0,0,0,0,0,0|1,0,1]=2 33 B9R0.47 N[C@H](CC#CCO)C(=O)O CNP0253353.1 [0,0,0,0,0,0|2,0,2]=4 34 B9R0.47 N[C@H](CCCCO)C(=O)O CNP0105740.2 [0,0,0,0,0,0|2,0,1]=3 35 B9R0.47 N[C@H](CCCNO)C(=O)O CNP0203401.2 [0,0,0,0,0,0|3,0,0]=3 36 B8R0.6 C=CCCC[C@H](O)C=C CNP0223839.1 [1,0,0,0,0,0|3,0,0]=4 37 B8R0.6 NCCCCC(N)C=O CNP0581320.0 [1,0,0,0,0,0|2,0,1]=4 38 B8R0.7 C=CCCCCC(=O)C CNP0179576.0 [1,0,0,0,0,0|2,0,0]=3 39 B8R0.7 C=CCCCCC(C)O CNP0002843.0 [1,0,0,0,0,0|2,0,1]=4 40 B8R0.7 C=CCCCOC(=O)C CNP0186159.0 [1,0,0,0,0,0|3,0,0]=4 41 B8R0.7 C=CCSSCC(=O)N CNP0415919.0 [1,0,0,0,0,0|2,0,0]=3 42 B8R0.7 CC=CCCCC(=O)O CNP0248463.0 [1,0,0,0,0,0|1,0,2]=4 43 B8R0.7 CCCCCCC(=O)O CNP0141686.0 [1,0,0,0,0,0|1,0,2]=4 44 B8R0.7 NCCCCCC(=O)O CNP0337210.0 [1,0,0,0,0,0|2,0,1]=4 45 B8R0.7 O=C(O)CCCCCO CNP0079830.0 [1,0,0,0,0,0|2,0,1]=4 46 B8R0.7 O=CCCCCC(=O)O CNP0080387.0 [1,0,0,0,0,0|2,0,0]=3 47 B8R0.8 C#CCCC(N)C(=O)O CNP0221316.0 [1,0,0,0,0,0|0,0,2]=3 48 B8R0.8 C#CCC[C@H](N)C(=O)O CNP0221316.1 [1,0,0,0,0,0|0,0,2]=3 49 B8R0.8 C/C=C/C[C@H](N)C(=O)O CNP0134361.1 [1,0,0,0,0,0|0,0,2]=3 50 B8R0.8 C/C=C\C[C@H](N)C(=O)O CNP0134361.2 [1,0,0,0,0,0|0,0,2]=3 51 B8R0.8 C=C/C=C\[C@@H](N)C(=O)O CNP0232155.1 [1,0,0,0,0,0|0,0,2]=3 52 B8R0.8 C=C=CC[C@H](N)C(=O)O CNP0263596.1 [1,0,0,0,0,0|0,0,2]=3 53 B8R0.8 C=CC=CC(N)C(=O)O CNP0232155.0 [1,0,0,0,0,0|0,0,2]=3 54 B8R0.8 C=CSC[C@H](N)C(=O)O CNP0135574.1 [1,0,0,0,0,0|0,0,0]=1 55 B8R0.8 CC#CC[C@H](N)C(=O)O CNP0236136.1 [1,0,0,0,0,0|0,0,3]=4 56 B8R0.8 CCCC[C@@H](C)C(=O)O CNP0131779.1 [1,0,0,0,0,0|1,0,2]=4 57 B8R0.8 CCCC[C@@H](N)C(=O)O CNP0177876.2 [1,0,0,0,0,0|0,0,2]=3 58 B8R0.8 CCCC[C@H](Br)C(=O)O CNP0017777.1 [1,0,0,0,0,0|1,0,2]=4 59 B8R0.8 CCCC[C@H](N)C(=O)O CNP0177876.1 [1,0,0,0,0,0|0,0,2]=3 60 B8R0.8 CCCC[C@H](O)C(=O)O CNP0296365.1 [1,0,0,0,0,0|1,0,2]=4 61 B8R0.8 CCSC[C@H](N)C(=O)O CNP0566350.1 [1,0,0,0,0,0|0,0,1]=2 62 B8R0.8 CSCCC(O)C(=O)O CNP0398053.0 [1,0,0,0,0,0|2,0,1]=4 63 B8R0.8 CSCC[C@@H](N)C(=O)O CNP0217457.2 [1,0,0,0,0,0|1,0,1]=3 64 B8R0.8 CSCC[C@H](N)C(=O)O CNP0217457.1 [1,0,0,0,0,0|1,0,1]=3 65 B8R0.8 CSCC[C@H](N)P(=O)O CNP0484604.1 [1,0,0,0,0,0|2,0,1]=4 66 B8R0.8 CSSC[C@@H](N)C(=O)O CNP0315885.2 [1,0,0,0,0,0|1,0,1]=3 67 B8R0.8 CSSC[C@H](N)C(=O)O CNP0315885.1 [1,0,0,0,0,0|1,0,1]=3 68 B8R0.8 C[C@@H](CCCN)C(=O)O CNP0300742.1 [1,0,0,0,0,0|2,0,1]=4 69 B8R0.8 C[Hg]SC[C@@H](N)C(=O)O CNP0479304.1 [1,0,0,0,0,0|1,0,1]=3 70 B8R0.8 C[Se]CC[C@H](N)C(=O)O CNP0196017.1 [1,0,0,0,0,0|1,0,1]=3 71 B8R0.8 N#CCC[C@H](N)C(=O)O CNP0290395.1 [1,0,0,0,0,0|1,0,1]=3 72 B8R0.8 NCCC[C@@H](N)C(=O)O CNP0102727.2 [1,0,0,0,0,0|1,0,1]=3 73 B8R0.8 NCCC[C@@H](O)C(=O)O CNP0154820.1 [1,0,0,0,0,0|2,0,1]=4 74 B8R0.8 NCCC[C@H](N)C(=O)O CNP0102727.1 [1,0,0,0,0,0|1,0,1]=3 75 B8R0.8 NOCC[C@@H](N)C(=O)O CNP0325208.1 [1,0,0,0,0,0|2,0,0]=3 76 B8R0.8 NOCC[C@H](N)C(=O)O CNP0325208.2 [1,0,0,0,0,0|2,0,0]=3 77 B8R0.8 N[C@@H](C/C=C/Cl)C(=O)O CNP0123957.2 [1,0,0,0,0,0|1,0,1]=3 78 B8R0.8 N[C@@H](C/C=C\Cl)C(=O)O CNP0123957.1 [1,0,0,0,0,0|1,0,1]=3 79 B8R0.8 N[C@@H](CCC=O)C(=O)O CNP0085564.1 [1,0,0,0,0,0|1,0,0]=2 80 B8R0.8 N[C@@H](CCCO)C(=O)O CNP0218644.1 [1,0,0,0,0,0|1,0,1]=3 81 B8R0.8 N[C@@H](CS[AsH]O)C(=O)O CNP0489303.1 [1,0,0,0,0,0|2,0,0]=3 82 B8R0.8 N[C@H](CCCO)C(=O)O CNP0218644.2 [1,0,0,0,0,0|1,0,1]=3 83 B10R0.26 C#CC[C@@H](O)C[C@H](N)C(=O)O CNP0170065.1 [0,1,0,0,0,0|1,0,2]=4 84 B10R0.26 C#CC[C@H](O)C[C@H](N)C(=O)O CNP0170065.2 [0,1,0,0,0,0|1,0,2]=4 85 B10R0.26 C/C=C/[S+]([O-])C[C@H](N)C(=O)O CNP0598229.1 [0,1,0,0,0,0|0,0,3]=4 86 B10R0.26 C/C=C/[S@+]([O-])C[C@H](N)C(=O)O CNP0598229.4 [0,1,0,0,0,0|0,0,3]=4 87 B10R0.26 C/C=C/[S@@+]([O-])C[C@H](N)C(=O)O CNP0598229.2 [0,1,0,0,0,0|0,0,3]=4 88 B10R0.26 C/C=C/[S@H+]([O-])C[C@H](N)C(=O)O CNP0603980.2 [0,1,0,0,0,0|0,0,3]=4 89 B10R0.26 C/C=C\[S@+]([O-])C[C@H](N)C(=O)O CNP0598229.3 [0,1,0,0,0,0|0,0,3]=4 90 B10R0.26 C/C=C\[S@H+]([O-])C[C@H](N)C(=O)O CNP0603980.1 [0,1,0,0,0,0|0,0,3]=4 91 B10R0.26 C=CC[S+]([O-])C[C@@H](N)C(=O)O CNP0583631.4 [0,1,0,0,0,0|0,0,1]=2 92 B10R0.26 C=CC[S+]([O-])C[C@H](N)C(=O)O CNP0583631.1 [0,1,0,0,0,0|0,0,1]=2 93 B10R0.26 C=CC[S@+]([O-])C[C@@H](N)C(=O)O CNP0583631.5 [0,1,0,0,0,0|0,0,1]=2 94 B10R0.26 C=CC[S@+]([O-])C[C@H](N)C(=O)O CNP0583631.2 [0,1,0,0,0,0|0,0,1]=2 95 B10R0.26 C=CC[S@@+]([O-])C[C@@H](N)C(=O)O CNP0583631.6 [0,1,0,0,0,0|0,0,1]=2 96 B10R0.26 C=CC[S@@+]([O-])C[C@H](N)C(=O)O CNP0583631.3 [0,1,0,0,0,0|0,0,1]=2 97 B10R0.26 C=CC[S@@H+]([O-])C[C@@H](N)C(=O)O CNP0575652.2 [0,1,0,0,0,0|0,0,1]=2 98 B10R0.26 C=CC[S@H+]([O-])C[C@H](N)C(=O)O CNP0575652.1 [0,1,0,0,0,0|0,0,1]=2 99 B10R0.26 CC=C[Se](=O)CC(N)C(=O)O CNP0229160.0 [0,1,0,0,0,0|0,1,2]=4 100 B10R0.26 CCC[S+]([O-])C[C@H](N)C(=O)O CNP0487043.1 [0,1,0,0,0,0|0,0,3]=4 101 B10R0.26 CCC[S@+]([O-])C[C@H](N)C(=O)O CNP0487043.2 [0,1,0,0,0,0|0,0,3]=4 102 B10R0.26 CCC[S@H+]([O-])C[C@H](N)C(=O)O CNP0538911.1 [0,1,0,0,0,0|0,0,3]=4 103 B10R0.26 CSC[S@+]([O-])C[C@H](N)C(=O)O CNP0546443.1 [0,1,0,0,0,0|1,0,2]=4 104 B10R0.26 CSC[S@H+]([O-])C[C@H](N)C(=O)O CNP0547280.1 [0,1,0,0,0,0|1,0,2]=4 105 B10R0.26 NCCC(=O)C[C@H](N)C(=O)O CNP0253438.1 [0,1,0,0,0,0|2,0,1]=4 106 B10R0.26 N[C@@H](C[S@+]([O-])CCO)C(=O)O CNP0513802.1 [0,1,0,0,0,0|1,0,2]=4 107 B10R0.26 N[C@@H](C[S@H+]([O-])CCO)C(=O)O CNP0527052.1 [0,1,0,0,0,0|1,0,2]=4 108 B10R0.75 C/C=C/SSC[C@H](N)C(=O)O CNP0003489.1 [0,1,0,0,0,0|1,0,0]=2 109 B10R0.75 C=CCSSC[C@H](N)C(=O)O CNP0148945.1 [0,1,0,0,0,0|0,0,0]=1 110 B10R0.75 CCCCCC[C@@H](N)C(=O)O CNP0110183.2 [0,1,0,0,0,0|1,0,2]=4 111 B10R0.75 CCCCCC[C@H](N)C(=O)O CNP0110183.1 [0,1,0,0,0,0|1,0,2]=4 112 B10R0.75 CCCCSC[C@H](N)C(=O)O CNP0563625.1 [0,1,0,0,0,0|0,0,2]=3 113 B10R0.75 CCCSSC[C@H](N)C(=O)O CNP0076341.1 [0,1,0,0,0,0|0,0,2]=3 114 B10R0.75 CNCCCC[C@H](N)C(=O)O CNP0107109.1 [0,1,0,0,0,0|1,0,2]=4 115 B10R0.75 CSCCCC[C@H](N)C(=O)O CNP0359103.1 [0,1,0,0,0,0|1,0,2]=4 116 B10R0.75 NCCCCCC(N)C(=O)O CNP0609957.0 [0,1,0,0,0,0|1,0,2]=4 117 B10R0.75 NCCOCC[C@H](N)C(=O)O CNP0151575.1 [0,1,0,0,0,0|1,1,1]=4 118 B10R0.75 N[C@@H](CCCCNO)C(=O)O CNP0266353.1 [0,1,0,0,0,0|2,0,1]=4 119 B10R0.75 N[C@@H](CSSCCO)C(=O)O CNP0533136.1 [0,1,0,0,0,0|1,0,1]=3 120 B10R0.82 NC[C@H](O)CC[C@H](N)C(=O)O CNP0308911.1 [0,1,0,0,0,0|2,0,1]=4 121 B10R0.83 COC(=O)C(N)CCCCN CNP0071113.0 [0,1,0,0,0,0|2,0,1]=4 122 B10R0.86 CN[C@@H](CCCCN)C(=O)O CNP0039590.1 [0,1,0,0,0,0|2,0,1]=4 123 B10R0.86 NCCCC[C@H](NO)C(=O)O CNP0382420.1 [0,1,0,0,0,0|2,0,1]=4 124 B10R0.98 CC(=O)CSC[C@H](N)C(=O)O CNP0525755.1 [0,1,0,0,0,0|0,0,1]=2 125 B10R0.98 CC(=O)NCCC(N)C(=O)O CNP0147930.0 [0,1,0,0,0,0|2,0,1]=4 126 B10R0.98 CC(=O)NCC[C@H](N)C(=O)O CNP0147930.1 [0,1,0,0,0,0|2,0,1]=4 127 B10R0.98 CC(=O)OCC[C@H](N)C(=O)O CNP0415355.1 [0,1,0,0,0,0|2,0,1]=4 128 B10R0.98 CC(C)CCC[C@H](N)C(=O)O CNP0379173.1 [0,1,0,0,0,0|1,0,2]=4 129 B10R0.98 NC(=O)C#CC[C@H](N)C(=O)O CNP0551971.1 [0,1,0,0,0,0|2,0,1]=4 130 B10R0.98 NC(=O)CCCC(N)C(=O)O CNP0609522.0 [0,1,0,0,0,0|2,0,0]=3 131 B10R0.98 NC(=O)CSC[C@H](N)C(=O)O CNP0535403.1 [0,1,0,0,0,0|1,0,0]=2 132 B10R0.98 NC(=O)NOC[C@@H](N)C(=O)O CNP0080862.2 [0,1,0,0,0,0|2,1,0]=4 133 B10R0.98 NC(=O)NOC[C@H](N)C(=O)O CNP0080862.1 [0,1,0,0,0,0|2,1,0]=4 134 B10R0.98 NC(CC#CC(=O)O)C(=O)O CNP0341360.0 [0,1,0,0,0,0|2,0,1]=4 135 B10R0.98 N[C@@H](CCCC(=O)O)C(=O)O CNP0180807.1 [0,1,0,0,0,0|2,0,0]=3 136 B10R0.98 N[C@@H](CCNC(=O)O)C(=O)O CNP0080256.1 [0,1,0,0,0,0|3,0,0]=4 137 B10R0.98 N[C@@H](CSCC(=O)O)C(=O)O CNP0238143.1 [0,1,0,0,0,0|1,0,0]=2 138 B10R0.98 N[C@H](CCCC(=O)O)C(=O)O CNP0180807.2 [0,1,0,0,0,0|2,0,0]=3 139 B10R0.98 O=C(O)CCC[C@@H](O)C(=O)O CNP0094826.1 [0,1,0,0,0,0|3,0,0]=4 140 B10R1.23 NC(C(=O)O)C1CC=CC1 CNP0222178.0 [0,0,0,1,0,0|1,0,2]=4 141 B10R1.23 N[C@@H](C(=O)O)C1=CC=CS1 CNP0491951.1 [0,0,0,1,0,0|0,0,2]=3 142 B10R1.23 N[C@@H](C(=O)O)[C@H]1C=CCC1 CNP0279143.1 [0,0,0,1,0,0|1,0,0]=2 143 B10R1.23 N[C@H](C(=O)O)C1=CC=CS1 CNP0491951.2 [0,0,0,1,0,0|0,0,2]=3 144 B10R1.23 N[C@H](C(=O)O)C1CC=CC1 CNP0222178.1 [0,0,0,1,0,0|1,0,2]=4 145 B10R1.23 N[C@H](C(=O)O)C1CCCC1 CNP0276361.1 [0,0,0,1,0,0|1,0,2]=4 146 B10R1.23 N[C@H](C(=O)O)[C@H]1C=CCC1 CNP0279143.2 [0,0,0,1,0,0|1,0,0]=2 147 B10R1.113 CC1=NCC[C@H](N1)C(=O)O CNP0261015.1 [0,0,0,1,0,0|2,0,1]=4 148 B10R1.113 CC1CCC[C@@H](N1)C(=O)O CNP0227209.1 [0,0,0,1,0,0|1,0,2]=4 149 B10R1.113 C[C@@H]1CCC[C@@H](N1)C(=O)O CNP0227209.2 [0,0,0,1,0,0|1,0,2]=4 150 B10R1.113 C[C@H]1CCC[C@@H](N1)C(=O)O CNP0227209.3 [0,0,0,1,0,0|1,0,2]=4 151 B10R1.113 N=C1C=CC[C@@H](N1)C(=O)O CNP0181839.1 [0,0,0,1,0,0|2,0,1]=4 152 B10R1.113 O=C1CCCC(C1)C(=O)O CNP0612018.0 [0,0,0,1,0,0|3,0,0]=4 153 B10R1.113 O=C1CCCC(N1)C(=O)O CNP0082266.0 [0,0,0,1,0,0|2,0,0]=3 154 B10R1.190 C=C1CC1CC(=O)C(=O)O CNP0149634.0 [0,0,0,1,0,0|2,0,1]=4 155 B10R1.190 C=C1CC1C[C@H](N)C(=O)O CNP0301702.2 [0,0,0,1,0,0|1,0,0]=2 156 B10R1.190 C=C1C[C@@H]1C[C@H](N)C(=O)O CNP0301702.3 [0,0,0,1,0,0|1,0,0]=2 157 B10R1.190 C=C1C[C@H]1C[C@H](N)C(=O)O CNP0301702.1 [0,0,0,1,0,0|1,0,0]=2 158 B10R1.348 O=C(O)[C@@H]1CCCCCN1 CNP0320968.2 [0,0,0,1,0,0|1,0,2]=4 159 B10R1.348 O=C(O)[C@H]1CCCCCN1 CNP0320968.1 [0,0,0,1,0,0|1,0,2]=4 160 B10R1.363 NC1(CCCCC1)C(=O)O CNP0298480.0 [0,0,0,1,0,0|1,0,2]=4 161 B10R1.363 N[C@@]1(CCCSC1)C(=O)O CNP0604228.2 [0,0,0,1,0,0|0,0,2]=3 162 B10R1.363 N[C@]1(CCCSC1)C(=O)O CNP0604228.1 [0,0,0,1,0,0|0,0,2]=3 163 B10R0.6 NCCCCC(N)CC(=O)O CNP0335565.0 [0,0,0,0,0,1|2,0,1]=4 164 B7R0.1 C=CCCCCC=C CNP0118215.0 [2,0,0,0,0,0|2,0,0]=4 165 B7R0.1 C=CCCCCCO CNP0075956.0 [2,0,0,0,0,0|1,0,1]=4 166 B7R0.1 C=CCSSCC=C CNP0311793.0 [2,0,0,0,0,0|2,0,0]=4 167 B7R0.3 CCCC[C@H](N)C=O CNP0526620.1 [2,0,0,0,0,0|0,0,2]=4 168 B7R0.3 NC(C=O)CCC=O CNP0504605.0 [2,0,0,0,0,0|1,0,0]=3 169 B7R0.3 NC(C=O)CSN=O CNP0293255.0 [2,0,0,0,0,0|2,0,0]=4 170 B7R0.4 C=CCCCC(=O)O CNP0553840.0 [2,0,0,0,0,0|0,0,0]=2 171 B7R0.4 C=CCNCC(=O)O CNP0542042.0 [2,0,0,0,0,0|1,0,0]=3 172 B7R0.4 CC(=O)CCCC=O CNP0331218.0 [2,0,0,0,0,0|2,0,0]=4 173 B7R0.4 CC=CCCC(=O)O CNP0086055.0 [2,0,0,0,0,0|0,0,2]=4 174 B7R0.4 CCCCCC(=O)O CNP0210437.0 [2,0,0,0,0,0|0,0,2]=4 175 B7R0.4 CCCCC[14C](=O)O CNP0563421.0 [2,0,0,0,0,0|0,0,2]=4 176 B7R0.4 CCOCCC(=O)O CNP0566237.0 [2,0,0,0,0,0|0,1,1]=4 177 B7R0.4 CNCCCC(=O)O CNP0216187.0 [2,0,0,0,0,0|1,0,1]=4 178 B7R0.4 N#CCCCC(=O)O CNP0192028.0 [2,0,0,0,0,0|1,0,1]=4 179 B7R0.4 NCCCCC(=O)O CNP0167970.0 [2,0,0,0,0,0|1,0,1]=4 180 B7R0.4 O=C(O)CCCCO CNP0601188.0 [2,0,0,0,0,0|1,0,1]=4 181 B7R0.4 O=CCCCC(=O)O CNP0051154.0 [2,0,0,0,0,0|1,0,0]=3 182 B7R0.5 C#CC[C@@H](N)C(=O)O CNP0149987.1 [2,0,0,0,0,0|0,0,2]=4 183 B7R0.5 C#CC[C@H](N)C(=O)O CNP0149987.2 [2,0,0,0,0,0|0,0,2]=4 184 B7R0.5 C=CCC(C)C(=O)O CNP0293941.0 [2,0,0,0,0,0|1,0,0]=3 185 B7R0.5 C=CC[C@@H](N)C(=O)O CNP0299155.1 [2,0,0,0,0,0|0,0,0]=2 186 B7R0.5 C=CC[C@H](N)C(=O)O CNP0299155.2 [2,0,0,0,0,0|0,0,0]=2 187 B7R0.5 CCC[C@@H](C)C(=O)O CNP0218134.2 [2,0,0,0,0,0|1,0,1]=4 188 B7R0.5 CCC[C@@H](N)C(=O)O CNP0198245.2 [2,0,0,0,0,0|0,0,1]=3 189 B7R0.5 CCC[C@H](C)C(=O)O CNP0218134.1 [2,0,0,0,0,0|1,0,1]=4 190 B7R0.5 CCC[C@H](N)C(=O)N CNP0559533.1 [2,0,0,0,0,0|1,0,1]=4 191 B7R0.5 CCC[C@H](N)C(=O)O CNP0198245.1 [2,0,0,0,0,0|0,0,1]=3 192 B7R0.5 CCC[C@H](O)C(=O)O CNP0107771.1 [2,0,0,0,0,0|1,0,1]=4 193 B7R0.5 CNC[C@@H](N)C(=O)O CNP0237559.2 [2,0,0,0,0,0|1,0,0]=3 194 B7R0.5 CNC[C@H](N)C(=O)O CNP0237559.1 [2,0,0,0,0,0|1,0,0]=3 195 B7R0.5 CSC[C@@H](N)C(=O)O CNP0391530.2 [2,0,0,0,0,0|0,0,0]=2 196 B7R0.5 CSC[C@H](N)C(=O)O CNP0391530.1 [2,0,0,0,0,0|0,0,0]=2 197 B7R0.5 C[C@@H](CCN)C(=O)O CNP0117278.1 [2,0,0,0,0,0|2,0,0]=4 198 B7R0.5 C[C@H](CCN)C(=O)O CNP0117278.2 [2,0,0,0,0,0|2,0,0]=4 199 B7R0.5 C[Se]C[C@H](N)C(=O)O CNP0420303.1 [2,0,0,0,0,0|0,1,0]=3 200 B7R0.5 N#CC[C@@H](N)C(=O)O CNP0254991.2 [2,0,0,0,0,0|1,0,1]=4 201 B7R0.5 N#CC[C@H](N)C(=O)O CNP0254991.1 [2,0,0,0,0,0|1,0,1]=4 202 B7R0.5 NC(C[S]=O)C(=O)O CNP0289741.0 [2,0,0,0,0,0|1,0,1]=4 203 B7R0.5 NCC[C@@H](N)C(=O)O CNP0283118.2 [2,0,0,0,0,0|1,0,0]=3 204 B7R0.5 NCC[C@H](N)C(=O)O CNP0283118.1 [2,0,0,0,0,0|1,0,0]=3 205 B7R0.5 NOCC(N)C(=O)O CNP0338620.0 [2,0,0,0,0,0|1,1,0]=4 206 B7R0.5 N[C@@H](CC=O)C(=O)O CNP0119915.1 [2,0,0,0,0,0|1,0,0]=3 207 B7R0.5 N[C@@H](CCO)C(=O)O CNP0287745.2 [2,0,0,0,0,0|1,0,0]=3 208 B7R0.5 N[C@@H](CCS)C(=O)O CNP0193002.1 [2,0,0,0,0,0|1,0,0]=3 209 B7R0.5 N[C@@H](CC[SeH])C(=O)O CNP0083667.1 [2,0,0,0,0,0|1,0,0]=3 210 B7R0.5 N[C@@H](CSO)C(=O)O CNP0559160.1 [2,0,0,0,0,0|1,0,0]=3 211 B7R0.5 N[C@@H](CSS)C(=O)O CNP0101794.1 [2,0,0,0,0,0|1,0,0]=3 212 B7R0.5 N[C@@H](CS[SeH])C(=O)O CNP0603953.1 [2,0,0,0,0,0|1,0,0]=3 213 B7R0.5 N[C@@H](C[S+]=O)C(=O)O CNP0587703.1 [2,0,0,0,0,0|1,0,1]=4 214 B7R0.5 N[C@H](CC=O)C(=O)O CNP0119915.2 [2,0,0,0,0,0|1,0,0]=3 215 B7R0.5 N[C@H](CCO)C(=O)O CNP0287745.3 [2,0,0,0,0,0|1,0,0]=3 216 B7R0.5 N[C@H](CCS)C(=O)O CNP0193002.2 [2,0,0,0,0,0|1,0,0]=3 217 B7R0.5 N[C@H](CSS)C(=O)O CNP0101794.2 [2,0,0,0,0,0|1,0,0]=3 218 B7R0.5 O=C(O)C(O)CCO CNP0218005.0 [2,0,0,0,0,0|2,0,0]=4 219 B9R0.46 CCCSSC[C@H](N)C=O CNP0579506.1 [1,1,0,0,0,0|0,0,2]=4 220 B9R0.2 C=CCCCCCC(=O)C CNP0160913.0 [1,1,0,0,0,0|2,0,0]=4 221 B9R0.48 C=CCC(=O)NCC(=O)O CNP0002379.0 [1,1,0,0,0,0|2,0,0]=4 222 B9R0.55 CC(=O)CCCCC(=O)O CNP0590711.0 [1,1,0,0,0,0|1,0,1]=4 223 B9R0.55 O=C(O)CCCCC(=O)O CNP0296801.0 [1,1,0,0,0,0|2,0,0]=4 224 B9R0.55 O=C(O)CCNCC(=O)O CNP0174380.0 [1,1,0,0,0,0|2,0,0]=4 225 B9R0.6 CCC[C@@H](C)[C@H](N)C(=O)O CNP0381888.1 [1,1,0,0,0,0|0,0,2]=4 226 B9R0.6 CCC[C@H](C)[C@H](N)C(=O)O CNP0381888.2 [1,1,0,0,0,0|0,0,2]=4 227 B9R0.6 NCC[C@@H](O)[C@@H](N)C(=O)O CNP0172709.2 [1,1,0,0,0,0|1,0,1]=4 228 B9R0.6 NCC[C@H](O)[C@@H](N)C(=O)O CNP0172709.1 [1,1,0,0,0,0|1,0,1]=4 229 B9R0.7 C/C(=C/C[C@H](N)C(=O)O)/Cl CNP0126752.1 [1,1,0,0,0,0|0,0,2]=4 230 B9R0.7 C=C(C)CC[C@H](N)C(=O)O CNP0300764.1 [1,1,0,0,0,0|0,0,0]=2 231 B9R0.7 C=C(Cl)CC[C@@H](N)C(=O)O CNP0253011.1 [1,1,0,0,0,0|0,0,0]=2 232 B9R0.7 C=C(Cl)CC[C@H](N)C(=O)O CNP0253011.2 [1,1,0,0,0,0|0,0,0]=2 233 B9R0.7 CC(=CC[C@H](N)C(=O)O)C CNP0216742.1 [1,1,0,0,0,0|0,0,2]=4 234 B9R0.7 CC(=O)CCC(C)C(=O)O CNP0035936.0 [1,1,0,0,0,0|1,0,1]=4 235 B9R0.7 CC(=O)CC[C@H](N)C(=O)O CNP0029013.1 [1,1,0,0,0,0|0,0,1]=3 236 B9R0.7 CC(=O)NC[C@H](N)C(=O)O CNP0222847.1 [1,1,0,0,0,0|1,0,1]=4 237 B9R0.7 CC(=O)OC[C@H](N)C(=O)O CNP0343242.1 [1,1,0,0,0,0|0,1,1]=4 238 B9R0.7 CC(=O)SC[C@H](N)C(=O)O CNP0549128.1 [1,1,0,0,0,0|0,0,1]=3 239 B9R0.7 CC(C)CC[C@H](N)C(=O)O CNP0116555.1 [1,1,0,0,0,0|0,0,2]=4 240 B9R0.7 CC(C)OCC(N)C(=O)O CNP0593258.0 [1,1,0,0,0,0|0,1,1]=4 241 B9R0.7 CC(CCC(=O)O)C(=O)O CNP0184293.0 [1,1,0,0,0,0|2,0,0]=4 242 B9R0.7 CC(N)CCC(N)C(=O)O CNP0515846.0 [1,1,0,0,0,0|0,0,2]=4 243 B9R0.7 CC(O)CC[C@H](N)C(=O)O CNP0295098.1 [1,1,0,0,0,0|0,0,2]=4 244 B9R0.7 CS(C)CC[C@@H](N)C(=O)O CNP0216869.1 [1,1,0,0,0,0|1,0,1]=4 245 B9R0.7 C[As](C)SC[C@H](N)C(=O)O CNP0580448.1 [1,1,0,0,0,0|1,0,1]=4 246 B9R0.7 C[C@H](O)CC[C@H](N)C(=O)O CNP0295098.2 [1,1,0,0,0,0|0,0,2]=4 247 B9R0.7 C[S+](C)CC[C@H](N)C(=O)O CNP0085930.1 [1,1,0,0,0,0|1,0,1]=4 248 B9R0.7 C[S+](C)CC[C@H](N)C(=O)O CNP0085930.2 [1,1,0,0,0,0|1,0,1]=4 249 B9R0.7 C[S+]([O-])CC[C@H](N)C(=O)O CNP0526656.2 [1,1,0,0,0,0|1,0,1]=4 250 B9R0.7 C[S@+]([O-])CC[C@@H](N)C(=O)O CNP0526656.5 [1,1,0,0,0,0|1,0,1]=4 251 B9R0.7 C[S@+]([O-])CC[C@H](N)C(=O)O CNP0526656.3 [1,1,0,0,0,0|1,0,1]=4 252 B9R0.7 C[S@@+]([O-])CC[C@@H](N)C(=O)O CNP0526656.4 [1,1,0,0,0,0|1,0,1]=4 253 B9R0.7 C[S@@+]([O-])CC[C@H](N)C(=O)O CNP0526656.1 [1,1,0,0,0,0|1,0,1]=4 254 B9R0.7 C[S@H+]([O-])CC[C@@H](N)C(=O)O CNP0521175.2 [1,1,0,0,0,0|1,0,1]=4 255 B9R0.7 C[S@H+]([O-])CC[C@H](N)C(=O)O CNP0521175.1 [1,1,0,0,0,0|1,0,1]=4 256 B9R0.7 C[S](C)CC[C@@H](N)C(=O)O CNP0605465.2 [1,1,0,0,0,0|1,0,1]=4 257 B9R0.7 C[S](C)CC[C@H](N)C(=O)O CNP0605465.1 [1,1,0,0,0,0|1,0,1]=4 258 B9R0.7 C[Se+](C)CC[C@@H](N)C(=O)O CNP0360098.1 [1,1,0,0,0,0|1,0,1]=4 259 B9R0.7 C[Se+](C)CC[C@H](N)C(=O)O CNP0360098.2 [1,1,0,0,0,0|1,0,1]=4 260 B9R0.7 C[Se](=O)CC[C@H](N)C(=O)O CNP0028926.1 [1,1,0,0,0,0|1,0,1]=4 261 B9R0.7 NC(=O)CC[C@@H](N)C(=O)O CNP0361973.2 [1,1,0,0,0,0|1,0,0]=3 262 B9R0.7 NC(=O)CC[C@H](N)C(=O)N CNP0387642.1 [1,1,0,0,0,0|2,0,0]=4 263 B9R0.7 NC(=O)CC[C@H](N)C(=O)O CNP0361973.1 [1,1,0,0,0,0|1,0,0]=3 264 B9R0.7 NC(=O)NC[C@@H](N)C(=O)O CNP0532146.2 [1,1,0,0,0,0|2,0,0]=4 265 B9R0.7 NC(=O)NC[C@H](N)C(=O)O CNP0532146.1 [1,1,0,0,0,0|2,0,0]=4 266 B9R0.7 NC(=O)OC[C@@H](N)C(=O)O CNP0393327.1 [1,1,0,0,0,0|1,1,0]=4 267 B9R0.7 NC(=O)[C@@H](N)CCC(=O)O CNP0595376.1 [1,1,0,0,0,0|2,0,0]=4 268 B9R0.7 NC(CCC(=O)O)C(=O)[O-] CNP0535517.0 [1,1,0,0,0,0|1,0,1]=4 269 B9R0.7 NC(CCS(=O)O)C(=O)O CNP0027333.0 [1,1,0,0,0,0|2,0,0]=4 270 B9R0.7 NC(CC[P+](=O)O)C(=O)O CNP0250837.0 [1,1,0,0,0,0|2,0,0]=4 271 B9R0.7 NC(CNC(=O)O)C(=O)O CNP0158277.0 [1,1,0,0,0,0|2,0,0]=4 272 B9R0.7 N[C@@H](CCC(=O)O)C(=O)O CNP0191057.1 [1,1,0,0,0,0|1,0,0]=3 273 B9R0.7 N[C@@H](CCP(=O)O)C(=O)O CNP0424644.2 [1,1,0,0,0,0|2,0,0]=4 274 B9R0.7 N[C@@H](CC[P@@H](=O)O)C(=O)O CNP0424644.1 [1,1,0,0,0,0|2,0,0]=4 275 B9R0.7 N[C@@H](CS[As](O)O)C(=O)O CNP0546239.1 [1,1,0,0,0,0|2,0,0]=4 276 B9R0.7 N[C@H](CCC(=O)O)C(=O)O CNP0191057.2 [1,1,0,0,0,0|1,0,0]=3 277 B9R0.7 O=C(O)CC[C@@H](O)C(=O)O CNP0156996.1 [1,1,0,0,0,0|2,0,0]=4 278 B9R0.7 O=C(O)CC[C@H](O)C(=O)O CNP0156996.2 [1,1,0,0,0,0|2,0,0]=4 279 B9R0.13 C=CCNC(CS)C(=O)O CNP0076452.0 [1,1,0,0,0,0|2,0,0]=4 280 B9R0.13 CCCC[C@@H](NC)C(=O)O CNP0058018.2 [1,1,0,0,0,0|0,0,2]=4 281 B9R0.13 CCCC[C@H](NC)C(=O)O CNP0058018.1 [1,1,0,0,0,0|0,0,2]=4 282 B9R0.13 CN[C@@H](CCCN)C(=O)O CNP0395461.1 [1,1,0,0,0,0|1,0,1]=4 283 B9R0.42 C#C[C@@H](O)C[C@@H](N)C(=O)O CNP0239105.1 [1,1,0,0,0,0|0,0,2]=4 284 B9R0.42 C#C[C@H](C)C[C@H](N)C(=O)O CNP0212234.1 [1,1,0,0,0,0|0,0,2]=4 285 B9R0.42 C/C=C(/C)\C[C@H](N)C(=O)O CNP0271442.1 [1,1,0,0,0,0|0,0,2]=4 286 B9R0.42 C/C=C(\C)/C[C@H](N)C(=O)O CNP0271442.2 [1,1,0,0,0,0|0,0,2]=4 287 B9R0.42 C=C(CC)C[C@H](N)C(=O)O CNP0154290.1 [1,1,0,0,0,0|1,0,1]=4 288 B9R0.42 C=C[C@@H](C)C[C@H](N)C(=O)O CNP0160242.1 [1,1,0,0,0,0|0,0,0]=2 289 B9R0.42 C=C[C@H](C)C[C@H](N)C(=O)O CNP0160242.2 [1,1,0,0,0,0|0,0,0]=2 290 B9R0.42 CCC(=O)C[C@H](N)C(=O)O CNP0276322.1 [1,1,0,0,0,0|1,0,1]=4 291 B9R0.42 CCC(C)C[C@H](N)C(=O)O CNP0257538.2 [1,1,0,0,0,0|0,0,2]=4 292 B9R0.42 CCC(O)C[C@H](N)C(=O)O CNP0517544.1 [1,1,0,0,0,0|0,0,2]=4 293 B9R0.42 CC[C@H](C)C[C@H](N)C(=O)O CNP0257538.1 [1,1,0,0,0,0|0,0,2]=4 294 B9R0.42 CC[S+]([O-])C[C@H](N)C(=O)O CNP0557818.1 [1,1,0,0,0,0|0,0,2]=4 295 B9R0.42 CC[S@+]([O-])C[C@H](N)C(=O)O CNP0557818.2 [1,1,0,0,0,0|0,0,2]=4 296 B9R0.42 CC[S@H+]([O-])C[C@H](N)C(=O)O CNP0529889.1 [1,1,0,0,0,0|0,0,2]=4 297 B9R0.42 C[C@H](CCl)C[C@H](N)C(=O)O CNP0213488.1 [1,1,0,0,0,0|1,0,1]=4 298 B9R0.42 NC[C@@H](O)C[C@H](N)C(=O)O CNP0310937.1 [1,1,0,0,0,0|1,0,1]=4 299 B9R0.42 NC[C@H](O)C[C@H](N)C(=O)O CNP0310937.2 [1,1,0,0,0,0|1,0,1]=4 300 B9R0.42 N[C@@H](CC(=O)CO)C(=O)O CNP0170448.1 [1,1,0,0,0,0|2,0,0]=4 301 B9R0.42 N[C@@H](C[C@@H](O)C=O)C(=O)O CNP0264056.1 [1,1,0,0,0,0|1,0,0]=3 302 B9R0.42 N[C@@H](C[C@H](O)CO)C(=O)O CNP0364941.1 [1,1,0,0,0,0|1,0,1]=4 303 B11R0.6 N[C@@H](CCCC(=O)O)CC(=O)O CNP0360279.1 [0,1,0,0,0,1|2,0,0]=4 304 B11R0.29 CC(=CCSCC(N)C(=O)O)C CNP0119163.0 [0,2,0,0,0,0|0,0,0]=2 305 B11R0.29 CC(=N)NCCC[C@H](N)C(=O)O CNP0237359.1 [0,2,0,0,0,0|1,0,1]=4 306 B11R0.29 CC(=O)NCCC[C@H](N)C(=O)O CNP0230750.1 [0,2,0,0,0,0|1,0,1]=4 307 B11R0.29 CC(=O)NCSC[C@H](N)C(=O)O CNP0267918.2 [0,2,0,0,0,0|0,0,1]=3 308 B11R0.29 N/C(=N\CCC[C@H](N)C(=O)O)/S CNP0546863.1 [0,2,0,0,0,0|2,0,0]=4 309 B11R0.29 N=C(N)CCCC[C@H](N)C(=O)O CNP0377487.1 [0,2,0,0,0,0|1,0,1]=4 310 B11R0.29 N=C(N)CNCC[C@@H](N)C(=O)O CNP0214872.1 [0,2,0,0,0,0|2,0,0]=4 311 B11R0.29 N=C(N)NCCC[C@@H](N)C(=O)O CNP0257247.2 [0,2,0,0,0,0|2,0,0]=4 312 B11R0.29 N=C(N)NCCC[C@H](N)C(=O)O CNP0257247.1 [0,2,0,0,0,0|2,0,0]=4 313 B11R0.29 N=C(N)NSCC[C@H](N)C(=O)O CNP0354582.1 [0,2,0,0,0,0|2,0,0]=4 314 B11R0.29 N=C(N)OCCC[C@H](N)C(=O)O CNP0235449.1 [0,2,0,0,0,0|2,0,0]=4 315 B11R0.29 NC(=NCCC[C@@H](N)C(=O)O)N CNP0479681.2 [0,2,0,0,0,0|2,0,0]=4 316 B11R0.29 NC(=NCCC[C@H](N)C(=O)O)N CNP0479681.1 [0,2,0,0,0,0|2,0,0]=4 317 B11R0.29 NC(=O)NCCC[C@@H](N)C(=O)O CNP0209633.2 [0,2,0,0,0,0|2,0,0]=4 318 B11R0.29 NC(=O)NCCC[C@H](N)C(=O)O CNP0209633.1 [0,2,0,0,0,0|2,0,0]=4 319 B11R0.29 NC(=S)NCCCC(N)C(=O)O CNP0560853.0 [0,2,0,0,0,0|2,0,0]=4 320 B11R0.29 N[C@@H](CCCCC(=O)O)C(=O)O CNP0196777.1 [0,2,0,0,0,0|1,0,1]=4 321 B11R0.29 N[C@@H](CSCCC(=O)O)C(=O)O CNP0131972.1 [0,2,0,0,0,0|0,0,1]=3 322 B11R0.29 N[C@H](CCCCC(=O)O)C(=O)O CNP0196777.2 [0,2,0,0,0,0|1,0,1]=4 323 B11R0.109 N[C@@H](CCCN(O)C=O)C(=O)O CNP0006215.1 [0,2,0,0,0,0|2,0,0]=4 324 B11R0.141 CCCC(=O)SC[C@H](N)C(=O)O CNP0511063.1 [0,2,0,0,0,0|0,0,2]=4 325 B11R0.150 CC(=O)C(N)CC[C@H](N)C(=O)O CNP0501029.1 [0,2,0,0,0,0|1,0,1]=4 326 B11R0.318 N[C@@H](CSCP(=O)(O)O)C(=O)O CNP0520888.1 [0,2,0,0,0,0|2,0,0]=4 327 B9R1.6 O=C(O)C1C=CCN=C1 CNP0025301.0 [1,0,0,1,0,0|1,0,1]=4 328 B9R1.6 O=C(O)[C@@H]1CCCC=N1 CNP0037714.1 [1,0,0,1,0,0|2,0,0]=4 329 B9R1.6 O=C(O)[C@@H]1CSCCN1 CNP0414195.1 [1,0,0,1,0,0|1,0,1]=4 330 B9R1.13 O=C(O)CC1=CC=CS1 CNP0036225.0 [1,0,0,1,0,0|0,0,2]=4 331 B9R1.13 O=C(O)CC1CCCS1 CNP0050808.0 [1,0,0,1,0,0|0,0,2]=4 332 B9R1.13 O=C(O)C[C@@H]1C=CCC1 CNP0371740.1 [1,0,0,1,0,0|1,0,0]=3 333 B9R1.13 O=C(O)C[C@H]1C=CCC1 CNP0371740.2 [1,0,0,1,0,0|1,0,0]=3 334 B9R1.48 O=C1CCCCC(=O)O1 CNP0322939.0 [1,0,0,1,0,0|2,0,0]=4 335 B9R1.35 C=C1CN[C@@H](C1)C(=O)O CNP0129075.1 [1,0,0,1,0,0|2,0,0]=4 336 B9R1.35 C[C@H]1CC[C@H](N1)C(=O)O CNP0140199.1 [1,0,0,1,0,0|0,0,2]=4 337 B9R1.35 NC(=O)[C@@H]1CCC(=O)N1 CNP0295319.2 [1,0,0,1,0,0|2,0,0]=4 338 B9R1.35 NC(=O)[C@H]1CCC(=O)N1 CNP0295319.1 [1,0,0,1,0,0|2,0,0]=4 339 B9R1.35 O=C(O)[C@@H]1CCC(=N1)O CNP0546413.2 [1,0,0,1,0,0|1,0,1]=4 340 B9R1.35 O=C(O)[C@@H]1CSC(=N1)S CNP0535446.1 [1,0,0,1,0,0|1,0,1]=4 341 B9R1.35 O=C(O)[C@@H]1CSC(=S)N1 CNP0338820.1 [1,0,0,1,0,0|1,0,0]=3 342 B9R1.35 O=C(O)[C@H]1CCC(=N1)O CNP0546413.1 [1,0,0,1,0,0|1,0,1]=4 343 B9R1.35 O=C(O)[C@H]1CSC(=S)C1 CNP0359055.1 [1,0,0,1,0,0|2,0,0]=4 344 B9R1.35 O=C(O)[C@H]1CSC(=S)N1 CNP0338820.2 [1,0,0,1,0,0|1,0,0]=3 345 B9R1.35 O=C1CC[C@@H](N1)C(=O)O CNP0206174.1 [1,0,0,1,0,0|1,0,0]=3 346 B9R1.35 O=C1CC[C@@H](O1)C(=O)O CNP0464408.1 [1,0,0,1,0,0|2,0,0]=4 347 B9R1.35 O=C1CC[C@H](N1)C(=O)O CNP0206174.2 [1,0,0,1,0,0|1,0,0]=3 348 B9R1.35 O=C1NCC(N1)C(=O)O CNP0324165.0 [1,0,0,1,0,0|2,0,0]=4 349 B9R1.35 O=C1N[C@@H](CS1)C(=O)O CNP0361457.2 [1,0,0,1,0,0|1,0,0]=3 350 B9R1.35 O=C1N[C@H](CS1)C(=O)O CNP0361457.1 [1,0,0,1,0,0|1,0,0]=3 351 B9R1.45 C=C1C[C@@H]1[C@H](N)C(=O)O CNP0108451.1 [1,0,0,1,0,0|0,0,0]=2 352 B9R1.45 C=C1C[C@H]1[C@@H](N)C(=O)O CNP0108451.2 [1,0,0,1,0,0|0,0,0]=2 353 B9R1.45 C=C1C[C@H]1[C@H](N)C(=O)O CNP0108451.3 [1,0,0,1,0,0|0,0,0]=2 354 B9R1.93 CC[C@@H]1C[C@@]1(N)C(=O)O CNP0294977.4 [1,0,0,1,0,0|0,0,2]=4 355 B9R1.93 CC[C@@H]1C[C@]1(N)C(=O)O CNP0294977.3 [1,0,0,1,0,0|0,0,2]=4 356 B9R1.93 CC[C@H]1C[C@@]1(N)C(=O)O CNP0294977.1 [1,0,0,1,0,0|0,0,2]=4 357 B9R1.93 CC[C@H]1C[C@]1(N)C(=O)O CNP0294977.2 [1,0,0,1,0,0|0,0,2]=4 358 B9R1.112 N[C@@H](CC1CC1)C(=O)O CNP0115257.1 [1,0,0,1,0,0|0,0,2]=4 359 B9R1.112 N[C@@H](C[C@H]1CO1)C(=O)O CNP0511777.1 [1,0,0,1,0,0|1,0,1]=4 360 B9R1.163 NC1(CCCC1)C(=O)O CNP0401519.0 [1,0,0,1,0,0|0,0,2]=4 361 B9R1.163 N[C@@]1(CCNC1)C(=O)O CNP0418958.2 [1,0,0,1,0,0|1,0,1]=4 362 B9R1.163 N[C@@]1(CCSC1)C(=O)O CNP0601612.1 [1,0,0,1,0,0|0,0,1]=3 363 B9R1.163 N[C@]1(CCNC1)C(=O)O CNP0418958.1 [1,0,0,1,0,0|1,0,1]=4 364 B9R1.163 N[C@]1(CCSC1)C(=O)O CNP0601612.2 [1,0,0,1,0,0|0,0,1]=3 365 B11R1.35 NC(CC1=CCCS1)C(=O)O CNP0145161.0 [0,1,0,1,0,0|0,0,1]=3 366 B11R1.35 NC(CC1=NC=CN1)C(=O)O CNP0110226.0 [0,1,0,1,0,0|2,0,0]=4 367 B11R1.35 NC(CC1=NC=CS1)C(=O)O CNP0336095.0 [0,1,0,1,0,0|1,0,1]=4 368 B11R1.35 N[C@@H](CC1=CC=CS1)C(=O)O CNP0037775.1 [0,1,0,1,0,0|0,0,1]=3 369 B11R1.35 N[C@@H](CC1=CN=CN1)C(=O)O CNP0584490.2 [0,1,0,1,0,0|2,0,0]=4 370 B11R1.35 N[C@@H](CC1=CNC=N1)C(=O)O CNP0161367.1 [0,1,0,1,0,0|2,0,0]=4 371 B11R1.35 N[C@@H](CC1=NC=CN1)C(=O)O CNP0110226.1 [0,1,0,1,0,0|2,0,0]=4 372 B11R1.35 N[C@@H](CN1C=CC=C1)C(=O)O CNP0507224.1 [0,1,0,1,0,0|1,0,1]=4 373 B11R1.35 N[C@@H](CN1C=CC=N1)C(=O)O CNP0296227.1 [0,1,0,1,0,0|1,0,1]=4 374 B11R1.35 N[C@@H](CN1C=NC=N1)C(=O)O CNP0574663.1 [0,1,0,1,0,0|2,0,0]=4 375 B11R1.35 N[C@H](CC1=CC=CS1)C(=O)O CNP0037775.2 [0,1,0,1,0,0|0,0,1]=3 376 B11R1.35 N[C@H](CC1=CN=CN1)C(=O)O CNP0584490.1 [0,1,0,1,0,0|2,0,0]=4 377 B11R1.35 N[C@H](CC1=CNC=N1)C(=O)O CNP0161367.2 [0,1,0,1,0,0|2,0,0]=4 378 B11R1.35 N[C@H](CN1C=CC=C1)C(=O)O CNP0507224.2 [0,1,0,1,0,0|1,0,1]=4 379 B11R1.35 N[C@H](CN1C=CC=N1)C(=O)O CNP0296227.2 [0,1,0,1,0,0|1,0,1]=4 380 B11R1.35 N[C@H](CN1C=NC=N1)C(=O)O CNP0574663.2 [0,1,0,1,0,0|2,0,0]=4 381 B11R1.89 CC1=C(SC=C1)[C@@H](N)C(=O)O CNP0587156.2 [0,1,0,1,0,0|0,0,2]=4 382 B11R1.89 CC1=C(SC=C1)[C@H](N)C(=O)O CNP0587156.1 [0,1,0,1,0,0|0,0,2]=4 383 B11R1.36 N[C@H](C(=O)O)[C@@H]1CC=CCC1 CNP0213115.1 [0,1,0,1,0,0|1,0,0]=3 384 B11R1.36 O=C(O)C(O)[C@H]1CC=CCC1 CNP0339850.1 [0,1,0,1,0,0|2,0,0]=4 385 B11R1.706 O=C(O)[C@@H]1CC/C=C/CCC1 CNP0454234.1 [0,1,0,1,0,0|2,0,0]=4 386 B11R1.706 O=C(O)[C@H]1CC/C=C/CCC1 CNP0454234.2 [0,1,0,1,0,0|2,0,0]=4 387 B11R1.149 C=C1C[C@H]1[C@@H](C)[C@H](N)C(=O)O CNP0181066.1 [0,1,0,1,0,0|1,0,0]=3 388 B11R1.314 C[C@H]1C=C[C@@H](O1)[C@H](N)C(=O)O CNP0118469.1 [0,1,0,1,0,0|0,1,0]=3 389 B11R1.23 COC(=O)[C@H]1CCCC(=O)N1 CNP0329486.1 [0,1,0,1,0,0|2,0,0]=4 390 B11R1.175 O=C(O)[C@@H]1CC[C@H](N1)C(=O)O CNP0017949.1 [0,1,0,1,0,0|2,0,0]=4 391 B11R1.704 N[C@H](C(=O)O)[C@@H]1C[C@@H]1C(=O)O CNP0302329.2 [0,1,0,1,0,0|2,0,0]=4 392 B11R1.704 N[C@H](C(=O)O)[C@H]1C[C@@H]1C(=O)O CNP0302329.3 [0,1,0,1,0,0|2,0,0]=4 393 B11R1.704 N[C@H](C(=O)O)[C@H]1C[C@H]1C(=O)O CNP0302329.1 [0,1,0,1,0,0|2,0,0]=4 394 B11R2.845 O=C(O)[C@@H]1C[C@H]2C=C[C@H]1O2 CNP0485144.1 [0,0,0,2,0,0|1,1,0]=4 395 B11R2.845 O=C(O)[C@H]1C[C@H]2C=C[C@H]1O2 CNP0485144.2 [0,0,0,2,0,0|1,1,0]=4