0 B6R0.2 C(C(=O)N)C(=O)O MLM [0,0,0,0,0,0|3,0,0]=3 1 B6R0.2 C(C(=O)O)C(=O)Cl PR6 [0,0,0,0,0,0|3,0,0]=3 2 B6R0.2 C(C(=O)O)C(=O)O MLA [0,0,0,0,0,0|3,0,0]=3 3 B6R0.2 C(C(=O)[O-])C(=O)[O-] MLI [0,0,0,0,0,0|3,0,0]=3 4 B6R0.2 CC(=O)CC(=O)C P2D [0,0,0,0,0,0|1,0,0]=1 5 B6R0.2 CC(=O)CC(=O)O AAE [0,0,0,0,0,0|2,0,0]=2 6 B6R0.2 CC(=O)CC(=O)O LIN [0,0,0,0,0,0|2,0,0]=2 7 B6R0.2 CC(C)CC(=O)O IVA [0,0,0,0,0,0|3,0,1]=4 8 B6R0.2 CN(C)CC(=O)O DMG [0,0,0,0,0,0|4,0,0]=4 9 B6R0.2 CS(C)CC(=O)O 313 [0,0,0,0,0,0|4,0,0]=4 10 B6R0.2 C[C@@H](CC(=O)O)N B3A [0,0,0,0,0,0|3,0,1]=4 11 B6R0.2 C[C@@H](CC(=O)O)O 3HL [0,0,0,0,0,0|2,0,2]=4 12 B6R0.2 C[C@H](CC(=O)O)O 3HR [0,0,0,0,0,0|2,0,2]=4 13 B5R0.1 CC(=O)CCO BUQ [1,0,0,0,0,0|1,0,2]=4 14 B5R0.1 CC=CC(=O)O BEO [1,0,0,0,0,0|2,0,0]=3 15 B5R0.1 CCCC(=O)C PNH [1,0,0,0,0,0|1,0,1]=3 16 B5R0.1 CCCC(=O)N BMD [1,0,0,0,0,0|2,0,1]=4 17 B5R0.1 CCCC(=O)O BUA [1,0,0,0,0,0|2,0,1]=4 18 B5R0.1 CCOC(=O)C EEE [1,0,0,0,0,0|0,0,1]=2 19 B5R0.1 CCOC(=O)O 01F [1,0,0,0,0,0|1,0,1]=3 20 B5R0.1 CCO[P@H](=O)O ATJ [1,0,0,0,0,0|2,0,1]=4 21 B5R0.1 CNCC(=O)O MGY [1,0,0,0,0,0|3,0,0]=4 22 B5R0.1 CNCC(=O)O SAR [1,0,0,0,0,0|3,0,0]=4 23 B5R0.1 CSCC(=O)[O-] MTG [1,0,0,0,0,0|3,0,0]=4 24 B5R0.1 CSC[S@@](=O)C DSS [1,0,0,0,0,0|3,0,0]=4 25 B5R0.1 C[C@H](CC=O)O 5KO [1,0,0,0,0,0|1,0,2]=4 26 B5R0.1 C[Se]CC(=O)[O-] MSF [1,0,0,0,0,0|3,0,0]=4 27 B5R0.1 C[Te]CC(=O)[O-] MTD [1,0,0,0,0,0|3,0,0]=4 28 B7R0.9 C(=O)(N)OP(=O)(O)O CP [0,1,0,0,0,0|3,0,0]=4 29 B7R0.9 CC(=O)CP(=O)(O)O 7VD [0,1,0,0,0,0|3,0,0]=4 30 B7R0.9 CC(=O)OP(=O)(O)O UVW [0,1,0,0,0,0|2,0,0]=3 31 B7R0.9 CC(=O)OS(=O)(=O)O AS8 [0,1,0,0,0,0|2,0,0]=3 32 B7R0.9 CC(C)(C)OC(=O)O BOC [0,1,0,0,0,0|2,0,1]=4 33 B7R0.9 CC(C)(C)OC(=O)O OTB [0,1,0,0,0,0|2,0,1]=4 34 B7R0.16 C(=O)(C(=O)O)C(=O)O MAK [0,1,0,0,0,0|3,0,0]=4 35 B7R0.16 C(C(=O)O)(C(=O)O)N FGL [0,1,0,0,0,0|3,0,0]=4 36 B7R0.16 C(C(=O)[O-])(C(=O)[O-])O TTN [0,1,0,0,0,0|3,0,0]=4 37 B7R0.16 CC(=O)[C@@H](C(=O)O)N AKB [0,1,0,0,0,0|2,0,0]=3 38 B7R0.16 CC(C(=O)O)C(=O)O DXX [0,1,0,0,0,0|3,0,0]=4 39 B7R0.16 CC(C)[C@@H](C(=O)C)N VAF [0,1,0,0,0,0|2,0,1]=4 40 B7R0.16 C\C(=C(/C(=O)O)\N)\O MOZ [0,1,0,0,0,0|2,0,1]=4 41 B7R0.16 C\C(=C(/C(=O)O)\N)\S BB6 [0,1,0,0,0,0|2,1,0]=4 42 B7R1.2 C1C(=O)NC(=O)N1 HYN [0,0,0,1,0,0|2,0,0]=3 43 B7R1.2 C1CC(=O)CC1=O CEJ [0,0,0,1,0,0|1,0,0]=2 44 B5R0.5 C(=O)(C(=O)O)N OXM [0,0,0,0,1,0|2,0,0]=3 45 B5R0.5 C(=O)(C(=O)O)O OXD [0,0,0,0,1,0|2,0,0]=3 46 B5R0.5 C(=O)(C(=O)[O-])[O-] OXL [0,0,0,0,1,0|2,0,0]=3 47 B5R0.5 C=C(C(=O)N)N PYT [0,0,0,0,1,0|2,0,1]=4 48 B5R0.5 C=C(C(=O)O)N DHA [0,0,0,0,1,0|2,0,1]=4 49 B5R0.5 CC(=O)C(=O)N PYM [0,0,0,0,1,0|1,0,0]=2 50 B5R0.5 CC(=O)C(=O)O PYR [0,0,0,0,1,0|1,0,0]=2 51 B5R0.5 CC(=O)N(C)C 5Y9 [0,0,0,0,1,0|2,0,0]=3 52 B5R0.5 CC(=[NH2+])C(=O)[O-] NAK [0,0,0,0,1,0|2,0,0]=3 53 B5R0.5 CC(C)C(=O)N IBO [0,0,0,0,1,0|2,0,1]=4 54 B5R0.5 CC(C)C(=O)O ALQ [0,0,0,0,1,0|2,0,1]=4 55 B5R0.5 CC(C)C(=O)O ISB [0,0,0,0,1,0|2,0,1]=4 56 B5R0.5 C[C@@H](C(=O)C)N ALM [0,0,0,0,1,0|1,0,1]=3 57 B5R0.5 C[C@@H](C(=O)C)O HBS [0,0,0,0,1,0|0,0,2]=3 58 B5R0.5 C[C@@H](C(=O)N)N 66N [0,0,0,0,1,0|2,0,1]=4 59 B5R0.5 C[C@@H](C(=O)O)Cl CNR [0,0,0,0,1,0|2,0,1]=4 60 B5R0.5 C[C@@H](C(=O)O)N ALA [0,0,0,0,1,0|2,0,1]=4 61 B5R0.5 C[C@@H](C(=O)O)N ALA_LFOH [0,0,0,0,1,0|2,0,1]=4 62 B5R0.5 C[C@@H](C(=O)O)O 2OP [0,0,0,0,1,0|1,0,2]=4 63 B5R0.5 C[C@@H](C(=O)O)[NH-] ALA_LEO2H [0,0,0,0,1,0|2,0,1]=4 64 B5R0.5 C[C@@H](C(=O)[O-])[NH-] ALA_LEO2 [0,0,0,0,1,0|2,0,1]=4 65 B5R0.5 C[C@@H](C(=O)[O-])[NH3+] ALA_LFZW [0,0,0,0,1,0|2,0,1]=4 66 B5R0.5 C[C@H](C(=O)C)O HBR [0,0,0,0,1,0|0,0,2]=3 67 B5R0.5 C[C@H](C(=O)O)F 4LT [0,0,0,0,1,0|2,0,1]=4 68 B5R0.5 C[C@H](C(=O)O)N DAL [0,0,0,0,1,0|2,0,1]=4 69 B5R0.5 C[C@H](C(=O)O)O DLA [0,0,0,0,1,0|1,0,2]=4 70 B5R0.5 C[C@H](C(=O)O)O LAC [0,0,0,0,1,0|1,0,2]=4 71 B7R0.6 C(=C\C(=O)O)/C(=O)O FUM [0,0,0,0,0,1|3,0,0]=4 72 B7R0.6 C(=C\C(=O)O)\C(=O)O MAE [0,0,0,0,0,1|3,0,0]=4 73 B7R0.6 C(=C\C(=O)[O-])/C(=O)[O-] FMR [0,0,0,0,0,1|3,0,0]=4 74 B7R0.6 C(CC(=O)O)C(=O)O SIN [0,0,0,0,0,1|3,0,0]=4 75 B7R0.6 CC(=O)CCC(=O)O SHF [0,0,0,0,0,1|2,0,0]=3 76 B7R0.6 CC(=O)NCC(=O)O AAC [0,0,0,0,0,1|2,0,0]=3 77 B7R0.6 CC(C)COC(=O)O IBU [0,0,0,0,0,1|2,0,1]=4 78 B4R0.1 C(=O)C(=O)O GLV [2,0,0,0,0,0|1,0,0]=3 79 B4R0.1 C=CC(=O)N 1HC [2,0,0,0,0,0|1,0,1]=4 80 B4R0.1 C=CC(=O)O AKR [2,0,0,0,0,0|1,0,1]=4 81 B4R0.1 CC(=C)C=C 61G [2,0,0,0,0,0|1,0,1]=4 82 B4R0.1 CC(=O)C=O PVL [2,0,0,0,0,0|0,0,0]=2 83 B4R0.1 CC(=O)CCl ATO [2,0,0,0,0,0|1,0,1]=4 84 B4R0.1 CC(=O)CN GCM [2,0,0,0,0,0|1,0,1]=4 85 B4R0.1 CC(=O)CN GLM [2,0,0,0,0,0|1,0,1]=4 86 B4R0.1 CC(=O)CO 4Y8 [2,0,0,0,0,0|0,0,2]=4 87 B4R0.1 CC(=O)NC NML [2,0,0,0,0,0|1,0,0]=3 88 B4R0.1 CC(=O)NO HAE [2,0,0,0,0,0|1,0,1]=4 89 B4R0.1 CC(=O)OO F50 [2,0,0,0,0,0|0,0,1]=3 90 B4R0.1 CC(=O)O[Hg+] MAC [2,0,0,0,0,0|1,0,0]=3 91 B4R0.1 CC(C)C=O 5OZ [2,0,0,0,0,0|1,0,1]=4 92 B4R0.1 CC=C(C)C 2MB [2,0,0,0,0,0|1,0,0]=3 93 B4R0.1 CCC(=O)N ROP [2,0,0,0,0,0|1,0,1]=4 94 B4R0.1 CCC(=O)O PPI [2,0,0,0,0,0|1,0,1]=4 95 B4R0.1 CN(C)C=O DMF [2,0,0,0,0,0|2,0,0]=4 96 B4R0.1 CNC(=O)N NMU [2,0,0,0,0,0|2,0,0]=4 97 B4R0.1 CNC(=O)O RGI [2,0,0,0,0,0|2,0,0]=4 98 B4R0.1 COC(=O)O 000 [2,0,0,0,0,0|1,0,0]=3 99 B4R0.1 C[C@@H](C=O)N 5XU [2,0,0,0,0,0|1,0,1]=4 100 B4R0.2 C(C=O)C=O MDD [2,0,0,0,0,0|1,0,0]=3 101 B4R0.2 C/C=C/C=O CRD [2,0,0,0,0,0|1,0,0]=3 102 B4R0.2 CCOC=O ETO [2,0,0,0,0,0|0,0,1]=3 103 B4R0.2 CCOCC ETZ [2,0,0,0,0,0|0,0,2]=4 104 B6R0.1 CCC(=O)OCC CA1 [1,1,0,0,0,0|0,0,1]=3 105 B6R0.1 CCNC(=O)OC MEC [1,1,0,0,0,0|1,0,1]=4 106 B6R0.1 CCOC(=O)CN GEE [1,1,0,0,0,0|0,0,1]=3 107 B6R0.1 CCOC(=O)NC EMB [1,1,0,0,0,0|0,0,1]=3 108 B6R0.3 C/C=C(/C(=O)O)\N DBU [1,1,0,0,0,0|2,0,0]=4 109 B6R0.3 C\C=C(\C)/C(=O)O MB8 [1,1,0,0,0,0|2,0,0]=4 110 B6R0.4 C(CC(=O)O)C=O SSN [1,1,0,0,0,0|2,0,0]=4 111 B6R0.4 CCCOC(=O)C 4PA [1,1,0,0,0,0|0,0,1]=3 112 B6R0.5 C(=O)OP(=O)(O)O XPO [1,1,0,0,0,0|2,0,0]=4 113 B6R0.5 CC(C)(C)OC=O TBF [1,1,0,0,0,0|1,0,1]=4 114 B6R0.5 CCO[P@](=O)(C)O VX [1,1,0,0,0,0|1,0,1]=4 115 B8R0.9 C(CC(=O)O)C(=O)CCl TQ9 [0,1,0,0,0,1|2,0,0]=4 116 B8R0.9 C(CC(=O)O)C(=O)CF LAF [0,1,0,0,0,1|2,0,0]=4 117 B8R0.9 CC(=O)OC[C@@H](CO)O JIM [0,1,0,0,0,1|0,0,2]=4 118 B8R0.9 COC(=O)CCC(=O)O MSU [0,1,0,0,0,1|2,0,0]=4 119 B8R0.23 CC(=O)[C@H](CC(=O)O)N ASK [0,1,0,0,0,1|2,0,0]=4 120 B8R0.23 C[C@@H](C(=O)O)NC(=O)C AYA [0,1,0,0,0,1|2,0,0]=4 121 B8R0.5 C(CO)C(=O)CC(=O)O 98J [0,2,0,0,0,0|2,0,0]=4 122 B8R0.5 CCOC(=O)CC(=O)C EAC [0,2,0,0,0,0|1,0,0]=3 123 B8R0.19 N=C(/NC)\NC(=O)NC XRG [0,2,0,0,0,0|2,0,0]=4 124 B8R0.37 CC(=O)[C@@](C)(C(=O)O)O X2X [0,2,0,0,0,0|2,0,0]=4 125 B6R1.2 C1CC(=O)NC1 BAQ [1,0,0,1,0,0|1,0,1]=4 126 B6R1.2 C1CC(=O)OC1 GBL [1,0,0,1,0,0|0,0,1]=3 127 B6R1.2 C1CCC(=O)C1 MFW [1,0,0,1,0,0|1,0,1]=4 128 B8R1.1 C1CC(=O)N[C@@H]1C=O CGN [0,1,0,1,0,0|1,0,1]=4 129 B8R1.4 C1CNC(=O)NC1=O DUC [0,1,0,1,0,0|1,0,0]=3 130 B8R1.18 C1[C@@H](C(=O)NC1=O)N SNN [0,1,0,1,0,0|1,0,0]=3 131 B8R1.50 CC1=C(C(=O)CO1)O 4XX [0,1,0,1,0,0|1,0,1]=4 132 B8R1.50 CN1C(=O)CCC1=O LCY [0,1,0,1,0,0|1,0,0]=3 133 B8R0.28 C(C(=O)O)OCC(=O)O OEG [0,0,0,0,0,2|2,0,0]=4 134 B8R0.28 CC(=CCCC(=O)C)C 0VT [0,0,0,0,0,2|2,0,0]=4 135 B8R0.28 CC(=O)CCCC(=O)O 4AT [0,0,0,0,0,2|2,0,0]=4