0 B9R0.55 CC(=O)CCCCC(=O)O CNP0590711.0 [0,0,0,0,0,0|1,0,0]=1 1 B9R0.55 CC(=O)CCCCC(C)C CNP0596169.0 [0,0,0,0,0,0|3,0,1]=4 2 B9R0.55 CC(=O)CCCNC(=O)C CNP0404524.0 [0,0,0,0,0,0|3,0,0]=3 3 B9R0.55 CC(=O)NCC=CC(=O)O CNP0164677.0 [0,0,0,0,0,0|2,0,2]=4 4 B9R0.55 CC(=O)NCCCC(=O)O CNP0201600.0 [0,0,0,0,0,0|2,0,0]=2 5 B9R0.55 CC(=O)NCCNC(=O)C CNP0287260.0 [0,0,0,0,0,0|4,0,0]=4 6 B9R0.55 CC(=O)OCCC[N+](=O)[O-] CNP0400993.0 [0,0,0,0,0,0|3,0,1]=4 7 B9R0.55 CC(C)CCCCC(=O)N CNP0291155.0 [0,0,0,0,0,0|3,0,1]=4 8 B9R0.55 CC(C)CCCCC(=O)O CNP0196819.0 [0,0,0,0,0,0|2,0,1]=3 9 B9R0.55 CC(O)C=CCCC(=O)O CNP0612153.0 [0,0,0,0,0,0|1,0,3]=4 10 B9R0.55 C[S+](C)CCCCC(=O)O CNP0043116.0 [0,0,0,0,0,0|3,0,0]=3 11 B9R0.55 C[S](C)CCCCC(=O)O CNP0533226.0 [0,0,0,0,0,0|3,0,0]=3 12 B9R0.55 N=C(N)NCCCC(=O)N CNP0603273.0 [0,0,0,0,0,0|4,0,0]=4 13 B9R0.55 N=C(N)NCCCC(=O)O CNP0565409.0 [0,0,0,0,0,0|3,0,0]=3 14 B9R0.55 NC(=NCCCC(=O)O)N CNP0333230.0 [0,0,0,0,0,0|3,0,0]=3 15 B9R0.55 NC(=O)CCCCC(=O)N CNP0104382.0 [0,0,0,0,0,0|2,0,0]=2 16 B9R0.55 NC(=O)CCCN=C(N)N CNP0077080.0 [0,0,0,0,0,0|4,0,0]=4 17 B9R0.55 NC(=O)NCCCC(=O)O CNP0167058.0 [0,0,0,0,0,0|2,0,0]=2 18 B9R0.55 O=C(Cl)CCCCC(=O)Cl CNP0235392.0 [0,0,0,0,0,0|2,0,0]=2 19 B9R0.55 O=C(O)C=CC=CC(=O)O CNP0248591.0 [0,0,0,0,0,0|0,0,4]=4 20 B9R0.55 O=C(O)C=CCCC(=O)O CNP0419680.0 [0,0,0,0,0,0|0,0,2]=2 21 B9R0.55 O=C(O)CC=CCC(=O)O CNP0098647.0 [0,0,0,0,0,0|0,0,2]=2 22 B9R0.55 O=C(O)CCCCC(=O)O CNP0296801.0 [0,0,0,0,0,0|0,0,0]=0 23 B9R0.55 O=C(O)CCNCC(=O)O CNP0174380.0 [0,0,0,0,0,0|1,0,0]=1 24 B8R0.7 C=C(O)CCCCCC CNP0584840.0 [1,0,0,0,0,0|2,0,1]=4 25 B8R0.7 C=CCCCCC(=O)C CNP0179576.0 [1,0,0,0,0,0|2,0,0]=3 26 B8R0.7 C=CCCCCC(C)O CNP0002843.0 [1,0,0,0,0,0|2,0,1]=4 27 B8R0.7 C=CCCCOC(=O)C CNP0186159.0 [1,0,0,0,0,0|3,0,0]=4 28 B8R0.7 CC(=CCCCC=O)C CNP0514464.0 [1,0,0,0,0,0|2,0,1]=4 29 B8R0.7 CC(=O)NCCCC=O CNP0083670.0 [1,0,0,0,0,0|2,0,0]=3 30 B8R0.7 CC(C)CCCCC=O CNP0244483.0 [1,0,0,0,0,0|2,0,1]=4 31 B8R0.7 CC=CCCCC(=O)C CNP0074972.0 [1,0,0,0,0,0|2,0,1]=4 32 B8R0.7 CC=CCCCC(=O)O CNP0248463.0 [1,0,0,0,0,0|1,0,1]=3 33 B8R0.7 CCCCCCC(=O)C CNP0325160.0 [1,0,0,0,0,0|2,0,1]=4 34 B8R0.7 CCCCCCC(=O)Cl CNP0211048.0 [1,0,0,0,0,0|2,0,1]=4 35 B8R0.7 CCCCCCC(=O)N CNP0248097.0 [1,0,0,0,0,0|2,0,1]=4 36 B8R0.7 CCCCCCC(=O)O CNP0141686.0 [1,0,0,0,0,0|1,0,1]=3 37 B8R0.7 CCCCCC[N+](=O)O CNP0515303.0 [1,0,0,0,0,0|2,0,1]=4 38 B8R0.7 CCCCOCC(=O)O CNP0524848.0 [1,0,0,0,0,0|2,0,1]=4 39 B8R0.7 NCCCCCC(=O)O CNP0337210.0 [1,0,0,0,0,0|1,0,1]=3 40 B8R0.7 O=C(O)CCCCCO CNP0079830.0 [1,0,0,0,0,0|0,0,1]=2 41 B8R0.7 O=CCCCCC(=O)O CNP0080387.0 [1,0,0,0,0,0|0,0,0]=1 42 B10R0.15 CC(=O)CSCCS(=O)(=O)O CNP0496782.0 [0,1,0,0,0,0|3,0,0]=4 43 B10R0.15 CC(=O)NCCCS(=O)(=O)O CNP0242388.0 [0,1,0,0,0,0|3,0,0]=4 44 B10R0.15 NC(=O)CNCCS(=O)(=O)O CNP0590437.0 [0,1,0,0,0,0|3,0,0]=4 45 B10R0.55 C=CC(=O)CCCOC(=O)C CNP0357217.0 [0,1,0,0,0,0|3,0,0]=4 46 B10R0.55 C=C[C@@H](O)CCCCC(=O)O CNP0323784.1 [0,1,0,0,0,0|1,0,1]=3 47 B10R0.55 CC(=O)OCCCC(=O)CO CNP0357573.0 [0,1,0,0,0,0|2,0,0]=3 48 B10R0.55 CC[C@H](C)CCCCC(=O)O CNP0159275.1 [0,1,0,0,0,0|2,0,1]=4 49 B10R0.55 COC(=O)CCCCC(=O)C CNP0524250.0 [0,1,0,0,0,0|1,0,0]=2 50 B10R0.55 COC(=O)CCCCC(=O)O CNP0188266.0 [0,1,0,0,0,0|0,0,0]=1 51 B10R0.55 COC(=O)CCCCC(C)C CNP0109196.0 [0,1,0,0,0,0|2,0,1]=4 52 B10R0.55 COC(=O)CCCNC(=N)N CNP0188338.0 [0,1,0,0,0,0|3,0,0]=4 53 B10R0.55 N=C(N)NCCCC(=O)ON CNP0102953.0 [0,1,0,0,0,0|3,0,0]=4 54 B10R0.96 CC(=CC(=O)CCC(=O)O)O CNP0478615.0 [0,1,0,0,0,0|1,0,2]=4 55 B10R0.96 CC(=CC(=O)N)CCC(=O)O CNP0121792.0 [0,1,0,0,0,0|1,0,2]=4 56 B10R0.96 CC(=O)CC(=O)CCC(=O)O CNP0178580.0 [0,1,0,0,0,0|1,0,1]=3 57 B10R0.96 C[C@@H](CCC(=O)O)CC(=O)O CNP0259340.1 [0,1,0,0,0,0|0,0,0]=1 58 B10R0.96 C[C@H](CCC(=O)O)CC(=O)O CNP0259340.2 [0,1,0,0,0,0|0,0,0]=1 59 B10R0.96 C[S+](C)CC[C@H](O)CC(=O)O CNP0018375.1 [0,1,0,0,0,0|3,0,0]=4 60 B10R0.96 N=C(N)NC[C@H](O)CC(=O)O CNP0326355.1 [0,1,0,0,0,0|3,0,0]=4 61 B10R0.96 NC(=O)CCC(N)CC(=O)O CNP0415823.0 [0,1,0,0,0,0|1,0,0]=2 62 B10R0.96 O=C(O)C=CC(=O)CC(=O)O CNP0360096.0 [0,1,0,0,0,0|0,0,3]=4 63 B10R0.96 O=C(O)CCC(=O)CC(=O)O CNP0303700.0 [0,1,0,0,0,0|0,0,1]=2 64 B10R0.96 O=C(O)CCC(O)CC(=O)O CNP0084473.0 [0,1,0,0,0,0|0,0,0]=1 65 B10R0.98 CC(=CCCC(C)C(=O)O)C CNP0436414.0 [0,1,0,0,0,0|2,0,1]=4 66 B10R0.98 CC(=O)CSC[C@H](N)C(=O)O CNP0525755.1 [0,1,0,0,0,0|2,0,0]=3 67 B10R0.98 CC(=O)NCCC(N)C(=O)O CNP0147930.0 [0,1,0,0,0,0|2,0,0]=3 68 B10R0.98 CC(=O)NCC[C@H](N)C(=O)O CNP0147930.1 [0,1,0,0,0,0|2,0,0]=3 69 B10R0.98 CC(=O)OCC[C@H](N)C(=O)O CNP0415355.1 [0,1,0,0,0,0|2,0,0]=3 70 B10R0.98 CC(C)CCCC(C)C(=O)O CNP0346887.0 [0,1,0,0,0,0|2,0,1]=4 71 B10R0.98 CC(C)CCC[C@H](N)C(=O)O CNP0379173.1 [0,1,0,0,0,0|2,0,1]=4 72 B10R0.98 C[C@@H](NCCC(=O)O)C(=O)O CNP0294276.2 [0,1,0,0,0,0|1,0,0]=2 73 B10R0.98 C[C@H](NCCC(=O)O)C(=O)O CNP0294276.1 [0,1,0,0,0,0|1,0,0]=2 74 B10R0.98 NC(=O)C#CC[C@H](N)C(=O)O CNP0551971.1 [0,1,0,0,0,0|1,0,2]=4 75 B10R0.98 NC(=O)CCCC(N)C(=O)O CNP0609522.0 [0,1,0,0,0,0|1,0,0]=2 76 B10R0.98 NC(=O)CSC[C@H](N)C(=O)O CNP0535403.1 [0,1,0,0,0,0|2,0,0]=3 77 B10R0.98 NC(=O)NOC[C@@H](N)C(=O)O CNP0080862.2 [0,1,0,0,0,0|3,0,0]=4 78 B10R0.98 NC(=O)NOC[C@H](N)C(=O)O CNP0080862.1 [0,1,0,0,0,0|3,0,0]=4 79 B10R0.98 NC(CC#CC(=O)O)C(=O)O CNP0341360.0 [0,1,0,0,0,0|0,0,2]=3 80 B10R0.98 N[C@@H](CCCC(=O)O)C(=O)O CNP0180807.1 [0,1,0,0,0,0|0,0,0]=1 81 B10R0.98 N[C@@H](CCNC(=O)O)C(=O)O CNP0080256.1 [0,1,0,0,0,0|1,0,0]=2 82 B10R0.98 N[C@@H](CSCC(=O)O)C(=O)O CNP0238143.1 [0,1,0,0,0,0|1,0,0]=2 83 B10R0.98 N[C@H](C=C=CC(=O)O)C(=O)O CNP0215430.1 [0,1,0,0,0,0|0,0,3]=4 84 B10R0.98 N[C@H](CCCC(=O)O)C(=O)O CNP0180807.2 [0,1,0,0,0,0|0,0,0]=1 85 B10R0.98 O=C(O)C=CCC(=O)C(=O)O CNP0359492.0 [0,1,0,0,0,0|0,0,3]=4 86 B10R0.98 O=C(O)CCCC(=O)C(=O)O CNP0300956.0 [0,1,0,0,0,0|0,0,1]=2 87 B10R0.98 O=C(O)CCC[C@@H](O)C(=O)O CNP0094826.1 [0,1,0,0,0,0|0,0,0]=1 88 B10R1.54 CN(C)C[C@H]1CCC(=O)O1 CNP0444471.1 [0,0,0,1,0,0|3,0,0]=4 89 B10R1.54 C[C@@H]1CC[C@@H](C1)CC(=O)O CNP0206632.1 [0,0,0,1,0,0|2,0,1]=4 90 B10R1.54 N=C1NC[C@H](N1)CC(=O)O CNP0330382.1 [0,0,0,1,0,0|3,0,0]=4 91 B10R1.54 O=C(Cl)C[C@H]1C=CC(=O)O1 CNP0017575.1 [0,0,0,1,0,0|1,0,2]=4 92 B10R1.54 O=C(O)CC1=CCC(=O)O1 CNP0288626.0 [0,0,0,1,0,0|0,0,2]=3 93 B10R1.54 O=C(O)CC1CCC(=O)O1 CNP0554238.0 [0,0,0,1,0,0|0,0,0]=1 94 B10R1.54 O=C(O)CN1C=CC(=O)O1 CNP0301133.0 [0,0,0,1,0,0|1,0,2]=4 95 B10R1.54 O=C(O)C[C@@H]1C=CC(=O)O1 CNP0273929.2 [0,0,0,1,0,0|0,0,2]=3 96 B10R1.54 O=C(O)C[C@H]1C=CC(=O)O1 CNP0273929.1 [0,0,0,1,0,0|0,0,2]=3 97 B10R1.54 O=C(O)C[C@H]1COC(=O)C1 CNP0303223.1 [0,0,0,1,0,0|2,0,0]=3 98 B10R1.71 O=C1CCCNC(=O)CN1 CNP0188446.0 [0,0,0,1,0,0|3,0,0]=4 99 B10R1.71 O=C1COC(=O)CCCN1 CNP0119732.0 [0,0,0,1,0,0|2,0,0]=3 100 B10R1.71 OC1=NCC(=NCCC1)O CNP0495441.0 [0,0,0,1,0,0|3,0,0]=4 101 B10R1.113 CC1=NCC[C@H](N1)C(=O)O CNP0261015.1 [0,0,0,1,0,0|3,0,0]=4 102 B10R1.113 CC1=N[C@@H](CCN1)C(=O)O CNP0499597.2 [0,0,0,1,0,0|3,0,0]=4 103 B10R1.113 CC1=N[C@H](CCN1)C(=O)O CNP0499597.1 [0,0,0,1,0,0|3,0,0]=4 104 B10R1.113 CC1=N[C@H](CC[N]1)C(=O)O CNP0547095.1 [0,0,0,1,0,0|3,0,0]=4 105 B10R1.113 CC1CCC[C@@H](N1)C(=O)O CNP0227209.1 [0,0,0,1,0,0|2,0,1]=4 106 B10R1.113 CN1CCCC(C1)C(=O)O CNP0563532.0 [0,0,0,1,0,0|3,0,0]=4 107 B10R1.113 C[C@@H]1CCC[C@@H](N1)C(=O)O CNP0227209.2 [0,0,0,1,0,0|2,0,1]=4 108 B10R1.113 C[C@H]1CCC[C@@H](N1)C(=O)O CNP0227209.3 [0,0,0,1,0,0|2,0,1]=4 109 B10R1.113 O=C(O)[C@@H]1C[C@@H](CCN1)O CNP0144077.1 [0,0,0,1,0,0|2,0,1]=4 110 B10R1.113 O=C(O)[C@@H]1C[C@H](CCN1)O CNP0144077.3 [0,0,0,1,0,0|2,0,1]=4 111 B10R1.113 O=C(O)[C@H]1C[C@@H](CCN1)O CNP0144077.4 [0,0,0,1,0,0|2,0,1]=4 112 B10R1.113 O=C(O)[C@H]1C[C@H](CCN1)O CNP0144077.2 [0,0,0,1,0,0|2,0,1]=4 113 B10R1.113 O=C1CCCC(C1)C(=O)O CNP0612018.0 [0,0,0,1,0,0|1,0,0]=2 114 B10R1.113 O=C1CCCC(N1)C(=O)O CNP0082266.0 [0,0,0,1,0,0|1,0,0]=2 115 B10R1.113 O=C1CCN[C@@H](C1)C(=O)O CNP0137744.1 [0,0,0,1,0,0|2,0,0]=3 116 B10R1.128 C[N+]1(CCC[C@@H]1C(=O)O)C CNP0531164.3 [0,0,0,1,0,0|3,0,0]=4 117 B10R1.128 C[N+]1(CCC[C@H]1C(=O)O)C CNP0531164.1 [0,0,0,1,0,0|3,0,0]=4 118 B10R1.128 C[N+]1(CCC[C@H]1C(=O)O)C CNP0531164.2 [0,0,0,1,0,0|3,0,0]=4 119 B8R0.28 C=C(C)CCCC(=O)C CNP0188769.0 [0,0,0,0,1,0|3,0,0]=4 120 B8R0.28 CC(=O)CCCC(=O)C CNP0084433.0 [0,0,0,0,1,0|2,0,0]=3 121 B8R0.28 CC(=O)CCCC(=O)O CNP0456571.0 [0,0,0,0,1,0|1,0,0]=2 122 B8R0.28 CC(=O)CCOC(=O)C CNP0480131.0 [0,0,0,0,1,0|3,0,0]=4 123 B8R0.28 CC(=O)NCCC(=O)O CNP0454986.0 [0,0,0,0,1,0|2,0,0]=3 124 B8R0.28 CC(C)CCCC(=O)O CNP0255582.0 [0,0,0,0,1,0|2,0,1]=4 125 B8R0.28 CN(C)CCCC(=O)O CNP0321126.0 [0,0,0,0,1,0|3,0,0]=4 126 B8R0.28 C[C@@H](O)CCCC(=O)O CNP0082052.1 [0,0,0,0,1,0|1,0,1]=3 127 B8R0.28 N=C(N)NCCC(=O)O CNP0480617.0 [0,0,0,0,1,0|3,0,0]=4 128 B8R0.28 NC(=NCCC(=O)O)N CNP0139818.0 [0,0,0,0,1,0|3,0,0]=4 129 B8R0.28 NC(=O)CCCC(=O)N CNP0251512.0 [0,0,0,0,1,0|2,0,0]=3 130 B8R0.28 NC(=O)NCCC(=O)O CNP0350035.0 [0,0,0,0,1,0|2,0,0]=3 131 B8R0.28 NC(=O)NCNC(=O)O CNP0206621.0 [0,0,0,0,1,0|3,0,0]=4 132 B8R0.28 O=C(O)C=CCC(=O)O CNP0111503.0 [0,0,0,0,1,0|0,0,2]=3 133 B8R0.28 O=C(O)CCCC(=O)O CNP0256820.0 [0,0,0,0,1,0|0,0,0]=1 134 B8R0.28 O=C(O)CCO[N+](=O)[O-] CNP0488226.0 [0,0,0,0,1,0|2,0,1]=4 135 B8R0.28 O=C(O)CNCC(=O)O CNP0080016.0 [0,0,0,0,1,0|1,0,0]=2 136 B8R0.28 O=C(O)COCC(=O)O CNP0463298.0 [0,0,0,0,1,0|1,0,0]=2 137 B8R0.28 O=C(O)CSCC(=O)O CNP0310100.0 [0,0,0,0,1,0|1,0,0]=2 138 B10R0.97 CC(=O)CCSCCC(=O)C CNP0272000.0 [0,0,0,0,0,1|2,0,0]=3 139 B10R0.97 CC(=O)NCCCCC(=O)O CNP0043197.0 [0,0,0,0,0,1|1,0,0]=2 140 B10R0.97 CC(=O)OCCCOC(=O)C CNP0501708.0 [0,0,0,0,0,1|3,0,0]=4 141 B10R0.97 CC(C)CCCCCC(=O)O CNP0505737.0 [0,0,0,0,0,1|2,0,1]=4 142 B10R0.97 CC(O)CCCC=CC(=O)O CNP0535647.0 [0,0,0,0,0,1|1,0,2]=4 143 B10R0.97 CC(O)CCCCCC(=O)O CNP0406993.0 [0,0,0,0,0,1|1,0,1]=3 144 B10R0.97 N=C(N)NCCCCC(=O)O CNP0295087.0 [0,0,0,0,0,1|2,0,0]=3 145 B10R0.97 NC(=O)NCCCCC(=O)O CNP0243666.0 [0,0,0,0,0,1|1,0,0]=2 146 B10R0.97 O=C(Cl)CCCCCC(=O)Cl CNP0111059.0 [0,0,0,0,0,1|2,0,0]=3 147 B10R0.97 O=C(O)CCCCCC(=O)O CNP0143018.0 [0,0,0,0,0,1|0,0,0]=1 148 B10R0.97 O=C(O)CCSCCC(=O)O CNP0302382.0 [0,0,0,0,0,1|0,0,0]=1 149 B7R0.1 C=CCCCCC=C CNP0118215.0 [2,0,0,0,0,0|2,0,0]=4 150 B7R0.1 C=CCCCCCO CNP0075956.0 [2,0,0,0,0,0|1,0,1]=4 151 B7R0.1 CCCCCCC=O CNP0243745.0 [2,0,0,0,0,0|1,0,1]=4 152 B7R0.1 OCCCCCCO CNP0080019.0 [2,0,0,0,0,0|0,0,2]=4 153 B7R0.4 C=C(O)CCCCC CNP0475201.0 [2,0,0,0,0,0|1,0,1]=4 154 B7R0.4 C=CCCCC(=O)O CNP0553840.0 [2,0,0,0,0,0|0,0,1]=3 155 B7R0.4 C=CCNCC(=O)O CNP0542042.0 [2,0,0,0,0,0|1,0,1]=4 156 B7R0.4 CC(=O)CCCC=O CNP0331218.0 [2,0,0,0,0,0|1,0,0]=3 157 B7R0.4 CC(=O)NCCC=O CNP0100556.0 [2,0,0,0,0,0|2,0,0]=4 158 B7R0.4 CC(O)CCCCO CNP0285438.0 [2,0,0,0,0,0|1,0,1]=4 159 B7R0.4 CC=CCCC(=O)O CNP0086055.0 [2,0,0,0,0,0|1,0,1]=4 160 B7R0.4 CCCCCC(=O)C CNP0240774.0 [2,0,0,0,0,0|1,0,1]=4 161 B7R0.4 CCCCCC(=O)N CNP0077222.0 [2,0,0,0,0,0|1,0,1]=4 162 B7R0.4 CCCCCC(=O)O CNP0210437.0 [2,0,0,0,0,0|0,0,1]=3 163 B7R0.4 CCCCCC(=S)O CNP0092443.0 [2,0,0,0,0,0|0,1,1]=4 164 B7R0.4 CCCCC[14C](=O)O CNP0563421.0 [2,0,0,0,0,0|0,0,1]=3 165 B7R0.4 CCOCCC(=O)O CNP0566237.0 [2,0,0,0,0,0|1,0,1]=4 166 B7R0.4 CNCCCC(=O)O CNP0216187.0 [2,0,0,0,0,0|1,0,1]=4 167 B7R0.4 N#CCCCC(=O)O CNP0192028.0 [2,0,0,0,0,0|1,0,1]=4 168 B7R0.4 NC(=O)COCCO CNP0488363.0 [2,0,0,0,0,0|2,0,0]=4 169 B7R0.4 NCCCCC(=O)N CNP0001733.0 [2,0,0,0,0,0|2,0,0]=4 170 B7R0.4 NCCCCC(=O)O CNP0167970.0 [2,0,0,0,0,0|1,0,0]=3 171 B7R0.4 NCCNCC(=O)O CNP0461877.0 [2,0,0,0,0,0|2,0,0]=4 172 B7R0.4 O=C(O)CCCCO CNP0601188.0 [2,0,0,0,0,0|0,0,0]=2 173 B7R0.4 O=C(O)CNCCO CNP0333030.0 [2,0,0,0,0,0|1,0,0]=3 174 B7R0.4 O=CCCCC(=O)O CNP0051154.0 [2,0,0,0,0,0|0,0,0]=2 175 B9R0.1 CCC(C)CCCC(=O)O CNP0085923.0 [1,1,0,0,0,0|1,0,1]=4 176 B9R0.2 C=CCCCCCC(=O)C CNP0160913.0 [1,1,0,0,0,0|2,0,0]=4 177 B9R0.2 CC(=O)CCCCCCO CNP0501685.0 [1,1,0,0,0,0|1,0,1]=4 178 B9R0.2 CCC=CCCCC(=O)O CNP0227056.0 [1,1,0,0,0,0|1,0,1]=4 179 B9R0.2 CCCCCCCC(=O)O CNP0295653.0 [1,1,0,0,0,0|1,0,1]=4 180 B9R0.2 CCCCOCCC(=O)O CNP0103655.0 [1,1,0,0,0,0|1,0,1]=4 181 B9R0.2 NN=CNCCCC(=O)O CNP0018496.0 [1,1,0,0,0,0|2,0,0]=4 182 B9R0.2 O=C(O)CCCCCCS CNP0359132.0 [1,1,0,0,0,0|0,1,1]=4 183 B9R0.4 CCCC[C@@H](N)CC(=O)O CNP0106474.1 [1,1,0,0,0,0|1,0,1]=4 184 B9R0.4 CCCC[C@H](N)CC(=O)O CNP0106474.2 [1,1,0,0,0,0|1,0,1]=4 185 B9R0.4 CSCC[C@H](N)CC(=O)O CNP0241476.1 [1,1,0,0,0,0|2,0,0]=4 186 B9R0.4 NCCC[C@@H](N)CC(=O)O CNP0108275.1 [1,1,0,0,0,0|1,0,1]=4 187 B9R0.4 NCCC[C@H](N)CC(=O)O CNP0108275.2 [1,1,0,0,0,0|1,0,1]=4 188 B9R0.46 C=CCCCCC(=O)CC CNP0107479.0 [1,1,0,0,0,0|2,0,0]=4 189 B9R0.46 CCCCCCC(=O)OC CNP0149439.0 [1,1,0,0,0,0|1,0,1]=4 190 B9R0.47 C=CCSC[C@@H](N)C(=O)O CNP0206886.1 [1,1,0,0,0,0|2,0,0]=4 191 B9R0.47 C=CCSC[C@H](N)C(=O)O CNP0206886.2 [1,1,0,0,0,0|2,0,0]=4 192 B9R0.47 CCCCC[C@@H](C)C(=O)O CNP0262834.1 [1,1,0,0,0,0|1,0,1]=4 193 B9R0.47 CCCCC[C@@H](N)C(=O)O CNP0193634.1 [1,1,0,0,0,0|1,0,1]=4 194 B9R0.47 CCCCC[C@@H](O)C(=O)O CNP0135339.2 [1,1,0,0,0,0|1,0,1]=4 195 B9R0.47 CCCCC[C@H](N)C(=O)O CNP0193634.2 [1,1,0,0,0,0|1,0,1]=4 196 B9R0.47 CCCCC[C@H](O)C(=O)O CNP0135339.1 [1,1,0,0,0,0|1,0,1]=4 197 B9R0.47 CNCCC[C@H](N)C(=O)O CNP0022631.1 [1,1,0,0,0,0|2,0,0]=4 198 B9R0.47 CSCCC[C@@H](N)C(=O)O CNP0165905.2 [1,1,0,0,0,0|2,0,0]=4 199 B9R0.47 CSCCC[C@H](N)C(=O)O CNP0165905.1 [1,1,0,0,0,0|2,0,0]=4 200 B9R0.47 NCCCC[C@@H](N)C(=O)O CNP0204700.3 [1,1,0,0,0,0|1,0,1]=4 201 B9R0.47 NCCCC[C@H](N)C(=O)O CNP0204700.1 [1,1,0,0,0,0|1,0,1]=4 202 B9R0.47 NCC[13CH2]C[C@H](N)C(=O)O CNP0204700.2 [1,1,0,0,0,0|1,0,1]=4 203 B9R0.47 N[C@@H](CCCC=O)C(=O)O CNP0258672.1 [1,1,0,0,0,0|0,0,0]=2 204 B9R0.47 N[C@@H](CCCCO)C(=O)O CNP0105740.1 [1,1,0,0,0,0|0,0,1]=3 205 B9R0.47 N[C@@H](CCCNO)C(=O)O CNP0203401.1 [1,1,0,0,0,0|1,0,0]=3 206 B9R0.47 N[C@@H](CCSCO)C(=O)O CNP0246797.1 [1,1,0,0,0,0|1,0,1]=4 207 B9R0.47 N[C@@H](CSCCO)C(=O)O CNP0350927.1 [1,1,0,0,0,0|1,0,1]=4 208 B9R0.47 N[C@H](CCCCO)C(=O)O CNP0105740.2 [1,1,0,0,0,0|0,0,1]=3 209 B9R0.47 N[C@H](CCCNO)C(=O)O CNP0203401.2 [1,1,0,0,0,0|1,0,0]=3 210 B9R0.48 CCC[C@@H](N)CCC(=O)O CNP0360374.1 [1,1,0,0,0,0|1,0,1]=4 211 B9R0.48 CCC[C@@H](O)CCC(=O)O CNP0457735.2 [1,1,0,0,0,0|1,0,1]=4 212 B9R0.48 CCC[C@H](N)CCC(=O)O CNP0360374.2 [1,1,0,0,0,0|1,0,1]=4 213 B9R0.48 CCC[C@H](O)CCC(=O)O CNP0457735.1 [1,1,0,0,0,0|1,0,1]=4 214 B9R0.7 C=C(C)CC[C@H](N)C(=O)O CNP0300764.1 [0,1,0,0,1,0|2,0,0]=4 215 B9R0.7 C=C(CCC(=O)O)C(=O)O CNP0610121.0 [0,1,0,0,1,0|0,0,1]=3 216 B9R0.7 C=C(Cl)CC[C@@H](N)C(=O)O CNP0253011.1 [0,1,0,0,1,0|2,0,0]=4 217 B9R0.7 C=C(Cl)CC[C@H](N)C(=O)O CNP0253011.2 [0,1,0,0,1,0|2,0,0]=4 218 B9R0.7 CC(=CCC(=O)O)C(=O)O CNP0023661.0 [0,1,0,0,1,0|0,0,2]=4 219 B9R0.7 CC(=O)CCC(C)C(=O)O CNP0035936.0 [0,1,0,0,1,0|1,0,0]=3 220 B9R0.7 CC(=O)CC[C@H](N)C(=O)O CNP0029013.1 [0,1,0,0,1,0|1,0,0]=3 221 B9R0.7 CC(=O)NC[C@H](N)C(=O)O CNP0222847.1 [0,1,0,0,1,0|2,0,0]=4 222 B9R0.7 CC(=O)OCC(C)C(=O)O CNP0355270.0 [0,1,0,0,1,0|2,0,0]=4 223 B9R0.7 CC(=O)OC[C@H](N)C(=O)O CNP0343242.1 [0,1,0,0,1,0|2,0,0]=4 224 B9R0.7 CC(=O)SC[C@H](N)C(=O)O CNP0549128.1 [0,1,0,0,1,0|2,0,0]=4 225 B9R0.7 CC(=O)[C@@H](C)CCC(=O)O CNP0449435.1 [0,1,0,0,1,0|1,0,0]=3 226 B9R0.7 CC(=O)[C@H](C)CCC(=O)O CNP0449435.2 [0,1,0,0,1,0|1,0,0]=3 227 B9R0.7 CC(CCC(=O)O)C(=O)O CNP0184293.0 [0,1,0,0,1,0|0,0,0]=2 228 B9R0.7 CC(CNC(=O)N)C(=O)O CNP0374758.0 [0,1,0,0,1,0|2,0,0]=4 229 B9R0.7 CC(O)CC[C@H](N)C(=O)O CNP0295098.1 [0,1,0,0,1,0|1,0,1]=4 230 B9R0.7 C[C@H](NCC(=O)O)C(=O)O CNP0313110.1 [0,1,0,0,1,0|1,0,0]=3 231 B9R0.7 C[C@H](O)CC[C@H](N)C(=O)O CNP0295098.2 [0,1,0,0,1,0|1,0,1]=4 232 B9R0.7 C[Se](=O)CC[C@H](N)C(=O)O CNP0028926.1 [0,1,0,0,1,0|2,0,0]=4 233 B9R0.7 NC(=O)CCC(=O)C(=O)O CNP0032107.0 [0,1,0,0,1,0|1,0,1]=4 234 B9R0.7 NC(=O)CC[C@@H](N)C(=O)O CNP0361973.2 [0,1,0,0,1,0|1,0,0]=3 235 B9R0.7 NC(=O)CC[C@H](N)C(=O)N CNP0387642.1 [0,1,0,0,1,0|2,0,0]=4 236 B9R0.7 NC(=O)CC[C@H](N)C(=O)O CNP0361973.1 [0,1,0,0,1,0|1,0,0]=3 237 B9R0.7 NC(=O)NC[C@@H](N)C(=O)O CNP0532146.2 [0,1,0,0,1,0|2,0,0]=4 238 B9R0.7 NC(=O)NC[C@H](N)C(=O)O CNP0532146.1 [0,1,0,0,1,0|2,0,0]=4 239 B9R0.7 NC(=O)OC[C@@H](N)C(=O)O CNP0393327.1 [0,1,0,0,1,0|2,0,0]=4 240 B9R0.7 NC(=O)[C@@H](N)CCC(=O)O CNP0595376.1 [0,1,0,0,1,0|1,0,0]=3 241 B9R0.7 NC(CCC(=O)O)C(=O)[O-] CNP0535517.0 [0,1,0,0,1,0|0,0,1]=3 242 B9R0.7 NC(CCS(=O)O)C(=O)O CNP0027333.0 [0,1,0,0,1,0|1,0,0]=3 243 B9R0.7 NC(CC[P+](=O)O)C(=O)O CNP0250837.0 [0,1,0,0,1,0|1,0,0]=3 244 B9R0.7 NC(CNC(=O)O)C(=O)O CNP0158277.0 [0,1,0,0,1,0|1,0,0]=3 245 B9R0.7 N[C@@H](CCC(=O)O)C(=O)O CNP0191057.1 [0,1,0,0,1,0|0,0,0]=2 246 B9R0.7 N[C@@H](CCP(=O)O)C(=O)O CNP0424644.2 [0,1,0,0,1,0|1,0,0]=3 247 B9R0.7 N[C@@H](CC[P@@H](=O)O)C(=O)O CNP0424644.1 [0,1,0,0,1,0|1,0,0]=3 248 B9R0.7 N[C@H](CCC(=O)O)C(=O)O CNP0191057.2 [0,1,0,0,1,0|0,0,0]=2 249 B9R0.7 O=C(O)C(=O)CC[P@@H](=O)O CNP0360014.1 [0,1,0,0,1,0|1,0,1]=4 250 B9R0.7 O=C(O)CCC(=O)C(=O)O CNP0115442.0 [0,1,0,0,1,0|0,0,1]=3 251 B9R0.7 O=C(O)CC[C@@H](O)C(=O)O CNP0156996.1 [0,1,0,0,1,0|0,0,0]=2 252 B9R0.7 O=C(O)CC[C@H](O)C(=O)O CNP0156996.2 [0,1,0,0,1,0|0,0,0]=2 253 B9R0.7 O=C([O-])CCC(=O)C(=O)O CNP0505801.0 [0,1,0,0,1,0|0,0,2]=4 254 B9R0.53 CC(=CC(=O)O)CC(=O)O CNP0273372.0 [0,1,0,0,1,0|0,0,2]=4 255 B9R0.53 CC(=O)O[C@H](C)CC(=O)O CNP0305826.1 [0,1,0,0,1,0|2,0,0]=4 256 B9R0.53 CC(CC(=O)O)CC(=O)O CNP0316583.0 [0,1,0,0,1,0|0,0,0]=2 257 B9R0.53 NC(CC(=O)O)CC(=O)O CNP0324847.0 [0,1,0,0,1,0|0,0,0]=2 258 B9R0.53 O=C(O)CC(=O)CC(=O)O CNP0280291.0 [0,1,0,0,1,0|0,0,1]=3 259 B9R0.53 O=C(O)CC(O)CC(=O)O CNP0395942.0 [0,1,0,0,1,0|0,0,0]=2 260 B9R0.56 O=C(O)CNCP(=O)(O)O CNP0340108.0 [0,1,0,0,1,0|2,0,0]=4 261 B11R0.6 CC(=CCC[C@@H](C)CC(=O)O)C CNP0402865.1 [0,1,0,0,0,1|2,0,0]=4 262 B11R0.6 CC(=CCC[C@H](C)CC(=O)O)C CNP0402865.2 [0,1,0,0,0,1|2,0,0]=4 263 B11R0.6 C[C@H](CCCC(=O)O)CC(=O)O CNP0273190.1 [0,1,0,0,0,1|0,0,0]=2 264 B11R0.6 N[C@@H](CCCC(=O)O)CC(=O)O CNP0360279.1 [0,1,0,0,0,1|0,0,0]=2 265 B11R0.29 CC(=N)NCCC[C@H](N)C(=O)O CNP0237359.1 [0,1,0,0,0,1|2,0,0]=4 266 B11R0.29 CC(=O)NCCC[C@@H](O)C(=O)O CNP0256684.1 [0,1,0,0,0,1|1,0,0]=3 267 B11R0.29 CC(=O)NCCC[C@H](N)C(=O)O CNP0230750.1 [0,1,0,0,0,1|1,0,0]=3 268 B11R0.29 CC(=O)NCSC[C@H](N)C(=O)O CNP0267918.2 [0,1,0,0,0,1|2,0,0]=4 269 B11R0.29 C[C@H](O)CCCC[C@H](N)C(=O)O CNP0300370.1 [0,1,0,0,0,1|1,0,1]=4 270 B11R0.29 N/C(=N\CCC[C@H](N)C(=O)O)/S CNP0546863.1 [0,1,0,0,0,1|1,1,0]=4 271 B11R0.29 N=C(N)CCCC[C@H](N)C(=O)O CNP0377487.1 [0,1,0,0,0,1|2,0,0]=4 272 B11R0.29 N=C(N)CNCC[C@@H](N)C(=O)O CNP0214872.1 [0,1,0,0,0,1|2,0,0]=4 273 B11R0.29 N=C(N)NCCC[C@@H](N)C(=O)O CNP0257247.2 [0,1,0,0,0,1|2,0,0]=4 274 B11R0.29 N=C(N)NCCC[C@H](N)C(=O)O CNP0257247.1 [0,1,0,0,0,1|2,0,0]=4 275 B11R0.29 N=C(N)NCCC[C@H](O)C(=O)O CNP0084028.1 [0,1,0,0,0,1|2,0,0]=4 276 B11R0.29 N=C(N)OCCC[C@H](N)C(=O)O CNP0235449.1 [0,1,0,0,0,1|2,0,0]=4 277 B11R0.29 NC(=NCCCC(O)C(=O)O)N CNP0568828.0 [0,1,0,0,0,1|2,0,0]=4 278 B11R0.29 NC(=NCCC[C@@H](N)C(=O)O)N CNP0479681.2 [0,1,0,0,0,1|2,0,0]=4 279 B11R0.29 NC(=NCCC[C@H](N)C(=O)O)N CNP0479681.1 [0,1,0,0,0,1|2,0,0]=4 280 B11R0.29 NC(=O)NCCC[C@@H](N)C(=O)O CNP0209633.2 [0,1,0,0,0,1|1,0,0]=3 281 B11R0.29 NC(=O)NCCC[C@H](N)C(=O)N CNP0299772.1 [0,1,0,0,0,1|2,0,0]=4 282 B11R0.29 NC(=O)NCCC[C@H](N)C(=O)O CNP0209633.1 [0,1,0,0,0,1|1,0,0]=3 283 B11R0.29 NC(=O)NOCCC(N)C(=O)O CNP0136304.0 [0,1,0,0,0,1|2,0,0]=4 284 B11R0.29 NC(=S)NCCCC(N)C(=O)O CNP0560853.0 [0,1,0,0,0,1|1,1,0]=4 285 B11R0.29 N[C@@H](CCCCC(=O)O)C(=O)O CNP0196777.1 [0,1,0,0,0,1|0,0,0]=2 286 B11R0.29 N[C@@H](CSCCC(=O)O)C(=O)O CNP0131972.1 [0,1,0,0,0,1|0,0,0]=2 287 B11R0.29 N[C@H](/C=C/CCC(=O)O)C(=O)O CNP0206731.1 [0,1,0,0,0,1|0,0,1]=3 288 B11R0.29 N[C@H](CCCCC(=O)O)C(=O)O CNP0196777.2 [0,1,0,0,0,1|0,0,0]=2 289 B11R0.29 O=C(O)CCCCC(=O)C(=O)O CNP0201111.0 [0,1,0,0,0,1|0,0,0]=2 290 B11R0.29 O=C(O)CCCC[C@H](O)C(=O)O CNP0228172.1 [0,1,0,0,0,1|0,0,0]=2 291 B11R0.85 CC(=O)CCC(=O)CCC(=O)C CNP0611971.0 [0,1,0,0,0,1|2,0,0]=4 292 B11R0.85 CC(=O)CCC(=O)CCC(=O)O CNP0599150.0 [0,1,0,0,0,1|1,0,0]=3 293 B11R0.85 CC(CCC(=O)O)CCC(=O)O CNP0505818.0 [0,1,0,0,0,1|0,0,0]=2 294 B11R0.85 C[C@@H](O)CC[C@H](O)CCC(=O)O CNP0319928.1 [0,1,0,0,0,1|1,0,1]=4 295 B11R0.111 CC[C@H](O)CCCCCC(=O)O CNP0179017.1 [0,1,0,0,0,1|1,0,1]=4 296 B11R0.111 COC(=O)CCCCCC(=O)O CNP0248235.0 [0,1,0,0,0,1|0,0,0]=2 297 B11R0.111 N[C@H](CO)CCCCNC(=O)O CNP0547068.1 [0,1,0,0,0,1|1,0,1]=4 298 B11R0.318 C[C@@H](NCCS(=O)(=O)O)C(=O)O CNP0111401.2 [0,2,0,0,0,0|2,0,0]=4 299 B11R0.318 C[C@H](NCCS(=O)(=O)O)C(=O)O CNP0111401.1 [0,2,0,0,0,0|2,0,0]=4 300 B11R0.318 NC(CCCP(=O)(O)O)C(=O)O CNP0332878.0 [0,2,0,0,0,0|1,0,0]=3 301 B11R0.318 N[C@@H](CCOP(=O)(O)O)C(=O)O CNP0252357.1 [0,2,0,0,0,0|2,0,0]=4 302 B11R0.318 N[C@@H](CSCP(=O)(O)O)C(=O)O CNP0520888.1 [0,2,0,0,0,0|2,0,0]=4 303 B11R0.93 COC(=O)C[C@@H](O)COC(=O)C CNP0042929.1 [0,2,0,0,0,0|2,0,0]=4 304 B11R0.93 COC(=O)C[C@H](O)COC(=O)C CNP0042929.2 [0,2,0,0,0,0|2,0,0]=4 305 B11R0.106 COC(=O)CCCCC(=O)OC CNP0317209.0 [0,2,0,0,0,0|0,0,0]=2 306 B11R0.107 COC(=O)CCC(=O)CC(=O)C CNP0305846.0 [0,2,0,0,0,0|1,0,1]=4 307 B11R0.109 N=C(NO)NCC[C@H](N)C(=O)O CNP0520755.1 [0,2,0,0,0,0|2,0,0]=4 308 B11R0.109 N[C@@H](CCCN(O)C=O)C(=O)O CNP0006215.1 [0,2,0,0,0,0|1,0,0]=3 309 B11R0.176 CC(=O)OCCCC(=O)CCO CNP0357221.0 [0,2,0,0,0,0|2,0,0]=4 310 B11R0.176 CCOC(=O)CCCC[C@H](C)O CNP0017820.1 [0,2,0,0,0,0|1,0,1]=4 311 B11R0.176 CCOC(=O)CCCSC(=O)C CNP0003277.0 [0,2,0,0,0,0|2,0,0]=4 312 B11R0.33 CC(CC(=O)O)CC(C)C(=O)O CNP0084063.0 [0,2,0,0,0,0|0,0,0]=2 313 B11R0.33 C[C@@H](NC(=O)CC(=O)O)C(=O)O CNP0002660.1 [0,2,0,0,0,0|1,0,1]=4 314 B11R0.143 CC(=O)N[C@H](C=O)CCC(=O)O CNP0262737.1 [0,2,0,0,0,0|2,0,0]=4 315 B11R0.143 CO[C@@H](CCC(=O)C)CC(=O)O CNP0538961.1 [0,2,0,0,0,0|1,0,0]=3 316 B11R0.149 C=C(CC(=O)O)C(=C)CC(=O)O CNP0116390.0 [0,2,0,0,0,0|0,0,2]=4 317 B11R0.173 NC(C(=O)O)C(=O)CCC(=O)O CNP0083534.0 [0,2,0,0,0,0|0,0,1]=3 318 B11R0.173 O=C(O)CCC(=O)C(Cl)C(=O)O CNP0560963.0 [0,2,0,0,0,0|0,0,1]=3 319 B11R0.150 CC(=O)C(N)CC[C@H](N)C(=O)O CNP0501029.1 [0,2,0,0,0,0|1,0,0]=3 320 B11R0.150 C[C@H](CC[C@H](C)C(=O)O)C(=O)O CNP0271100.1 [0,2,0,0,0,0|0,0,0]=2 321 B11R0.150 N[C@@H](CNC(=O)C(=O)O)C(=O)O CNP0286456.1 [0,2,0,0,0,0|1,0,1]=4 322 B11R0.150 N[C@H](CNC(=O)C(=O)O)C(=O)O CNP0286456.2 [0,2,0,0,0,0|1,0,1]=4 323 B11R0.202 CC(=O)CCCC(C)(C)C(=O)C CNP0612162.0 [0,2,0,0,0,0|2,0,0]=4 324 B11R0.202 CC(=O)CCCC(C)(C)C(=O)O CNP0186044.0 [0,2,0,0,0,0|1,0,0]=3 325 B11R0.273 CCC(=CCCC(=O)O)C(=O)O CNP0582847.0 [0,2,0,0,0,0|0,0,2]=4 326 B11R0.273 CCC(CCCC(=O)O)C(=O)O CNP0180760.0 [0,2,0,0,0,0|0,0,0]=2 327 B9R1.2 CC[C@H]1CCCC(=O)O1 CNP0210303.1 [1,0,0,1,0,0|1,0,1]=4 328 B9R1.6 O=C(O)C1CCCCC1 CNP0244214.0 [1,0,0,1,0,0|1,0,1]=4 329 B9R1.6 O=C(O)[C@@H]1CCC=CN1 CNP0265562.1 [1,0,0,1,0,0|1,0,1]=4 330 B9R1.6 O=C(O)[C@@H]1CCCC=N1 CNP0037714.1 [1,0,0,1,0,0|1,0,0]=3 331 B9R1.6 O=C(O)[C@@H]1CCCCN1 CNP0148927.2 [1,0,0,1,0,0|1,0,1]=4 332 B9R1.6 O=C(O)[C@@H]1CCCNC1 CNP0137943.1 [1,0,0,1,0,0|2,0,0]=4 333 B9R1.6 O=C(O)[C@@H]1CCCNN1 CNP0122625.2 [1,0,0,1,0,0|2,0,0]=4 334 B9R1.6 O=C(O)[C@H]1CC=CCC1 CNP0343332.1 [1,0,0,1,0,0|1,0,1]=4 335 B9R1.6 O=C(O)[C@H]1CCCCN1 CNP0148927.1 [1,0,0,1,0,0|1,0,1]=4 336 B9R1.6 O=C(O)[C@H]1CCCNC1 CNP0137943.2 [1,0,0,1,0,0|2,0,0]=4 337 B9R1.6 O=C(O)[C@H]1CCCNN1 CNP0122625.1 [1,0,0,1,0,0|2,0,0]=4 338 B9R1.6 O=[14C](O)[C@H]1CCCCN1 CNP0148927.3 [1,0,0,1,0,0|1,0,1]=4 339 B9R1.7 CCC[C@H]1CCC(=O)O1 CNP0172695.1 [1,0,0,1,0,0|1,0,1]=4 340 B9R1.7 CNC[C@H]1CCC(=O)O1 CNP0475322.1 [1,0,0,1,0,0|2,0,0]=4 341 B9R1.13 O=C(O)CC1CCCC1 CNP0381828.0 [1,0,0,1,0,0|1,0,1]=4 342 B9R1.13 O=C(O)CC1CCCS1 CNP0050808.0 [1,0,0,1,0,0|0,1,1]=4 343 B9R1.13 O=C(O)C[C@@H]1C=CCC1 CNP0371740.1 [1,0,0,1,0,0|1,0,0]=3 344 B9R1.13 O=C(O)C[C@@H]1CCCN1 CNP0390024.1 [1,0,0,1,0,0|1,0,1]=4 345 B9R1.13 O=C(O)C[C@H]1C=CCC1 CNP0371740.2 [1,0,0,1,0,0|1,0,0]=3 346 B9R1.41 CC(=O)C1CCOC1=O CNP0411848.0 [1,0,0,1,0,0|2,0,0]=4 347 B9R1.41 CN1CCC[C@@H]1C(=O)O CNP0209638.1 [1,0,0,1,0,0|2,0,0]=4 348 B9R1.41 CN1CCC[C@H]1C(=O)O CNP0209638.2 [1,0,0,1,0,0|2,0,0]=4 349 B9R1.41 C[C@@H]1CCC[C@H]1C(=O)O CNP0302447.1 [1,0,0,1,0,0|1,0,1]=4 350 B9R1.41 C[C@H]1CCC[C@@H]1C(=O)O CNP0302447.2 [1,0,0,1,0,0|1,0,1]=4 351 B9R1.41 NC(=O)N1CCCC1=O CNP0193817.0 [1,0,0,1,0,0|2,0,0]=4 352 B9R1.41 NN1CCC[C@H]1C(=O)O CNP0198646.1 [1,0,0,1,0,0|2,0,0]=4 353 B9R1.41 N[C@@H]1CCC[C@H]1C(=O)O CNP0179700.2 [1,0,0,1,0,0|1,0,1]=4 354 B9R1.41 N[C@H]1CCC[C@H]1C(=O)O CNP0179700.1 [1,0,0,1,0,0|1,0,1]=4 355 B9R1.41 O=C(O)N1CCCC1=O CNP0088387.0 [1,0,0,1,0,0|1,0,0]=3 356 B9R1.41 O=C(O)[C@@H]1CCCN1O CNP0236003.2 [1,0,0,1,0,0|1,0,0]=3 357 B9R1.41 O=C(O)[C@@H]1NCC[C@@H]1O CNP0193079.1 [1,0,0,1,0,0|1,0,1]=4 358 B9R1.41 O=C(O)[C@@H]1NCC[C@H]1O CNP0193079.3 [1,0,0,1,0,0|1,0,1]=4 359 B9R1.41 O=C(O)[C@H]1CCCN1O CNP0236003.1 [1,0,0,1,0,0|1,0,0]=3 360 B9R1.41 O=C(O)[C@H]1NCC[C@@H]1O CNP0193079.2 [1,0,0,1,0,0|1,0,1]=4 361 B9R1.41 O=C(O)[C@H]1NCC[C@H]1O CNP0193079.4 [1,0,0,1,0,0|1,0,1]=4 362 B9R1.48 C[C@H]1CCCCC(=O)O1 CNP0109717.1 [1,0,0,1,0,0|1,0,1]=4 363 B9R1.48 O=C1CCCCC(=O)C1 CNP0554115.0 [1,0,0,1,0,0|1,0,0]=3 364 B9R1.48 O=C1CCCCC(=O)O1 CNP0322939.0 [1,0,0,1,0,0|0,0,0]=2 365 B9R1.48 O=C1CCCNC(=O)N1 CNP0110595.0 [1,0,0,1,0,0|2,0,0]=4 366 B9R1.85 O=C(O)CCCC1CC1 CNP0252470.0 [1,0,0,1,0,0|1,0,1]=4 367 B9R1.35 CC(=O)[C@@H]1CCC(=O)O1 CNP0235501.1 [0,0,0,1,1,0|1,0,0]=3 368 B9R1.35 C[C@@H](O)[C@@H]1CCC(=O)O1 CNP0205569.1 [0,0,0,1,1,0|1,0,1]=4 369 B9R1.35 C[C@H](O)[C@H]1CCC(=O)O1 CNP0205569.2 [0,0,0,1,1,0|1,0,1]=4 370 B9R1.35 NC(=O)[C@@H]1CCC(=O)N1 CNP0295319.2 [0,0,0,1,1,0|2,0,0]=4 371 B9R1.35 NC(=O)[C@H]1CCC(=O)N1 CNP0295319.1 [0,0,0,1,1,0|2,0,0]=4 372 B9R1.35 NC(=O)[C@H]1CCC(=O)O1 CNP0031489.1 [0,0,0,1,1,0|1,0,0]=3 373 B9R1.35 O=C(O)[C@@H]1CCC(=N1)O CNP0546413.2 [0,0,0,1,1,0|1,0,0]=3 374 B9R1.35 O=C(O)[C@H]1CCC(=N1)O CNP0546413.1 [0,0,0,1,1,0|1,0,0]=3 375 B9R1.35 O=C1CC[C@@H](N1)C(=O)O CNP0206174.1 [0,0,0,1,1,0|1,0,0]=3 376 B9R1.35 O=C1CC[C@@H](O1)C(=O)O CNP0464408.1 [0,0,0,1,1,0|0,0,0]=2 377 B9R1.35 O=C1CC[C@H](N1)C(=O)O CNP0206174.2 [0,0,0,1,1,0|1,0,0]=3 378 B9R1.35 O=C1CNC(C1)C(=O)O CNP0124683.0 [0,0,0,1,1,0|2,0,0]=4 379 B9R1.35 O=C1NCC(N1)C(=O)O CNP0324165.0 [0,0,0,1,1,0|2,0,0]=4 380 B9R1.35 O=C1N[C@@H](CS1)C(=O)O CNP0361457.2 [0,0,0,1,1,0|2,0,0]=4 381 B9R1.35 O=C1N[C@H](CS1)C(=O)O CNP0361457.1 [0,0,0,1,1,0|2,0,0]=4 382 B9R1.161 O=C(O)[C@@H]1C[C@H]1C(=O)O CNP0465575.1 [0,0,0,1,1,0|0,0,0]=2 383 B9R1.161 O=C(O)[C@@H]1O[C@H]1C(=O)O CNP0251636.1 [0,0,0,1,1,0|1,0,0]=3 384 B9R1.161 O=C(O)[C@H]1C[C@@H]1C(=O)O CNP0465575.2 [0,0,0,1,1,0|0,0,0]=2 385 B9R1.161 O=C(O)[C@H]1C[C@H]1C(=O)O CNP0465575.3 [0,0,0,1,1,0|0,0,0]=2 386 B9R1.161 O=C(O)[C@H]1N[C@@H]1C(=O)O CNP0156205.1 [0,0,0,1,1,0|1,0,0]=3 387 B9R1.161 O=C(O)[C@H]1N[C@H]1C(=O)O CNP0156205.2 [0,0,0,1,1,0|1,0,0]=3 388 B9R1.161 O=C(O)[C@H]1O[C@@H]1C(=O)O CNP0251636.3 [0,0,0,1,1,0|1,0,0]=3 389 B9R1.161 O=C(O)[C@H]1O[C@H]1C(=O)O CNP0251636.2 [0,0,0,1,1,0|1,0,0]=3 390 B11R1.75 O=C(O)CCC1=CC(=O)CC1 CNP0183676.0 [0,0,0,1,0,1|1,0,0]=3 391 B11R1.75 O=C(O)CCC1=CC(=O)OC1 CNP0583583.0 [0,0,0,1,0,1|1,0,1]=4 392 B11R1.75 O=C(O)CCN1C=CC(=O)O1 CNP0135411.0 [0,0,0,1,0,1|0,0,2]=4 393 B11R1.75 O=C(O)CC[C@@H]1CCC(=O)N1 CNP0399000.1 [0,0,0,1,0,1|1,0,0]=3 394 B11R1.75 O=C(O)CC[C@H]1CCC(=O)N1 CNP0399000.2 [0,0,0,1,0,1|1,0,0]=3 395 B11R1.157 C[C@H]1CCC[C@H](O1)CC(=O)O CNP0118162.1 [0,0,0,1,0,1|1,0,1]=4 396 B11R1.157 O=C(O)C[C@H]1CCCC(=O)C1 CNP0341504.1 [0,0,0,1,0,1|1,0,0]=3 397 B11R1.178 CC(=O)N1CCC[C@@H]1C(=O)O CNP0339539.1 [0,0,0,1,0,1|1,0,0]=3 398 B11R1.178 CC(=O)N1CCC[C@H]1C(=O)O CNP0339539.2 [0,0,0,1,0,1|1,0,0]=3 399 B11R1.178 CC(=O)N1CCS[C@@H]1C(=O)O CNP0459493.2 [0,0,0,1,0,1|2,0,0]=4 400 B11R1.178 CC(=O)N1CCS[C@H]1C(=O)O CNP0459493.1 [0,0,0,1,0,1|2,0,0]=4 401 B11R1.178 CC(=O)N1CSC[C@H]1C(=O)O CNP0173969.1 [0,0,0,1,0,1|2,0,0]=4 402 B11R1.178 N=C(N)N1CCC[C@H]1C(=O)O CNP0524149.1 [0,0,0,1,0,1|2,0,0]=4 403 B11R1.178 NC(=O)N1CCC[C@@H]1C(=O)O CNP0381625.2 [0,0,0,1,0,1|1,0,0]=3 404 B11R1.178 NC(=O)N1CCC[C@H]1C(=O)O CNP0381625.1 [0,0,0,1,0,1|1,0,0]=3 405 B11R1.178 O=C(O)[C@@H]1CCC[C@H]1C(=O)O CNP0438136.1 [0,0,0,1,0,1|0,0,0]=2 406 B11R1.20 O=C(O)C[C@H]1CC[C@@H](CC1)O CNP0084903.1 [0,1,0,1,0,0|1,0,1]=4 407 B11R1.23 COC(=O)[C@H]1CCCC(=O)N1 CNP0329486.1 [0,1,0,1,0,0|1,0,0]=3 408 B11R1.39 COC(=O)C[C@@H]1C=CC(=O)O1 CNP0175302.2 [0,1,0,1,0,0|0,0,2]=4 409 B11R1.39 COC(=O)C[C@H]1C=CC(=O)O1 CNP0175302.1 [0,1,0,1,0,0|0,0,2]=4 410 B11R1.159 O=C(O)[C@@H]1OCC[C@@H](C1=O)O CNP0270471.1 [0,1,0,1,0,0|1,0,1]=4 411 B11R1.1039 C[C@@]1(C=CC(=O)O1)CC(=O)O CNP0239614.2 [0,1,0,1,0,0|0,0,2]=4 412 B11R1.1039 C[C@]1(C=CC(=O)O1)CC(=O)O CNP0239614.1 [0,1,0,1,0,0|0,0,2]=4 413 B11R1.1039 O=C(O)CC1(COC(=O)C1)O CNP0287410.0 [0,1,0,1,0,0|2,0,0]=4 414 B11R1.1039 O=C(O)C[C@]1(C=CC(=O)O1)Cl CNP0082328.1 [0,1,0,1,0,0|0,0,2]=4 415 B11R1.1039 O=C(O)C[C@]1(COC(=O)C1)O CNP0287410.1 [0,1,0,1,0,0|2,0,0]=4 416 B11R1.80 CC(=O)C[C@@H]1C[C@@H](C(=O)O1)C CNP0237623.3 [0,1,0,1,0,0|1,0,0]=3 417 B11R1.80 CC(=O)C[C@@H]1C[C@H](C(=O)O1)C CNP0237623.2 [0,1,0,1,0,0|1,0,0]=3 418 B11R1.80 CC(=O)C[C@H]1C[C@H](C(=O)O1)C CNP0237623.1 [0,1,0,1,0,0|1,0,0]=3 419 B11R1.175 O=C(O)C1CC(SS1)C(=O)O CNP0108969.0 [0,1,0,1,0,0|2,0,0]=4 420 B11R1.175 O=C(O)C1CCC(O1)C(=O)O CNP0206418.0 [0,1,0,1,0,0|0,0,0]=2 421 B11R1.175 O=C(O)C1CCC(S1)C(=O)O CNP0265299.0 [0,1,0,1,0,0|0,0,0]=2 422 B11R1.175 O=C(O)[C@@H]1CC[C@H](N1)C(=O)O CNP0017949.1 [0,1,0,1,0,0|0,0,0]=2 423 B11R1.175 O=C(O)[C@@H]1CC[C@H]([Se]1)C(=O)O CNP0124231.1 [0,1,0,1,0,0|0,0,0]=2 424 B11R1.175 O=C(O)[C@@H]1CN[C@@H](C1)C(=O)O CNP0178994.1 [0,1,0,1,0,0|1,0,0]=3 425 B11R1.175 O=C(O)[C@@H]1CN[C@H](C1)C(=O)O CNP0178994.4 [0,1,0,1,0,0|1,0,0]=3 426 B11R1.175 O=C(O)[C@H]1CN[C@@H](C1)C(=O)O CNP0178994.3 [0,1,0,1,0,0|1,0,0]=3 427 B11R1.175 O=C(O)[C@H]1CN[C@H](C1)C(=O)O CNP0178994.2 [0,1,0,1,0,0|1,0,0]=3 428 B11R1.314 O=C1C=CC(O1)C(Cl)C(=O)O CNP0453066.0 [0,1,0,1,0,0|0,0,2]=4 429 B11R1.704 N[C@H](C(=O)O)[C@@H]1C[C@@H]1C(=O)O CNP0302329.2 [0,1,0,1,0,0|0,0,0]=2 430 B11R1.704 N[C@H](C(=O)O)[C@H]1C[C@@H]1C(=O)O CNP0302329.3 [0,1,0,1,0,0|0,0,0]=2 431 B11R1.704 N[C@H](C(=O)O)[C@H]1C[C@H]1C(=O)O CNP0302329.1 [0,1,0,1,0,0|0,0,0]=2 432 B11R2.139 O=C1C[C@H]2CC(=O)C[C@H]2C1 CNP0329594.1 [0,0,0,2,0,0|2,0,0]=4 433 B7R0.6 CC(=O)CCC(=O)C CNP0291926.0 [0,0,0,0,2,0|2,0,0]=4 434 B7R0.6 CC(=O)CCC(=O)O CNP0267906.0 [0,0,0,0,2,0|1,0,0]=3 435 B7R0.6 CC(=O)CCC(=O)[O-] CNP0515624.0 [0,0,0,0,2,0|1,0,1]=4 436 B7R0.6 CC(=O)CCC(=O)[O-] CNP0577778.0 [0,0,0,0,2,0|1,0,1]=4 437 B7R0.6 CC(=O)NCC(=O)O CNP0232085.0 [0,0,0,0,2,0|2,0,0]=4 438 B7R0.6 C[C@H](O)CCC(=O)O CNP0154959.1 [0,0,0,0,2,0|1,0,1]=4 439 B7R0.6 NC(=O)CCC(=O)N CNP0188909.0 [0,0,0,0,2,0|2,0,0]=4 440 B7R0.6 NC(=O)CCC(=O)O CNP0115008.0 [0,0,0,0,2,0|1,0,0]=3 441 B7R0.6 NC(=O)NCC(=O)O CNP0369831.0 [0,0,0,0,2,0|2,0,0]=4 442 B7R0.6 O=C(Br)CCC(=O)Br CNP0117937.0 [0,0,0,0,2,0|2,0,0]=4 443 B7R0.6 O=C(Cl)CCC(=O)Cl CNP0384530.0 [0,0,0,0,2,0|2,0,0]=4 444 B7R0.6 O=C(O)C#CC(=O)O CNP0197927.0 [0,0,0,0,2,0|0,0,2]=4 445 B7R0.6 O=C(O)C=CC(=O)O CNP0289193.0 [0,0,0,0,2,0|0,0,2]=4 446 B7R0.6 O=C(O)CCC(=O)O CNP0332012.0 [0,0,0,0,2,0|0,0,0]=2 447 B7R0.6 O=C(O)CC[N+](=O)[O-] CNP0337272.0 [0,0,0,0,2,0|1,0,1]=4 448 B7R0.6 O=C(O)CNC(=O)O CNP0611653.0 [0,0,0,0,2,0|1,0,0]=3 449 B7R0.6 O=C([O-])CCC(=O)[O-] CNP0594813.0 [0,0,0,0,2,0|0,0,2]=4 450 B11R0.30 CC(=O)NCCCCCC(=O)O CNP0491775.0 [0,0,0,0,0,2|1,0,0]=3 451 B11R0.30 CC(=O)NCCCCNC(=O)C CNP0303260.0 [0,0,0,0,0,2|2,0,0]=4 452 B11R0.30 CC(=O)OCCCCOC(=O)C CNP0503986.0 [0,0,0,0,0,2|2,0,0]=4 453 B11R0.30 C[C@@H](O)CCCCCCC(=O)O CNP0212379.1 [0,0,0,0,0,2|1,0,1]=4 454 B11R0.30 N=C(N)NCCCCCC(=O)O CNP0526044.0 [0,0,0,0,0,2|2,0,0]=4 455 B11R0.30 NC(=O)CCCCCCC(=O)N CNP0230952.0 [0,0,0,0,0,2|2,0,0]=4 456 B11R0.30 NC(=O)CCCCCCC(=O)O CNP0235183.0 [0,0,0,0,0,2|1,0,0]=3 457 B11R0.30 O=C(Cl)CCCCCCC(=O)Cl CNP0257088.0 [0,0,0,0,0,2|2,0,0]=4 458 B11R0.30 O=C(O)C=CCCCCC(=O)O CNP0084482.0 [0,0,0,0,0,2|0,0,0]=2 459 B11R0.30 O=C(O)CC=CCCCC(=O)O CNP0001595.0 [0,0,0,0,0,2|0,0,0]=2 460 B11R0.30 O=C(O)CCC=CCCC(=O)O CNP0261310.0 [0,0,0,0,0,2|0,0,0]=2 461 B11R0.30 O=C(O)CCCCCCC(=O)O CNP0210905.0 [0,0,0,0,0,2|0,0,0]=2 462 B11R0.30 O=C(O)CCCCCO[N+](=O)[O-] CNP0534499.0 [0,0,0,0,0,2|1,0,1]=4 463 B11R0.30 O=C(O)CCCNCCC(=O)O CNP0349160.0 [0,0,0,0,0,2|0,0,0]=2 464 B11R0.30 O=C(O)CCSSCCC(=O)O CNP0212217.0 [0,0,0,0,0,2|0,0,0]=2 465 B11R0.30 O=C(O)CNCCNCC(=O)O CNP0081965.0 [0,0,0,0,0,2|0,0,0]=2 466 B11R0.30 O=C(O)CSCCSCC(=O)O CNP0440644.0 [0,0,0,0,0,2|0,0,0]=2 467 B11R0.30 O=[14C](O)CCCCCC[14C](=O)O CNP0533577.0 [0,0,0,0,0,2|0,0,0]=2