0 B6R0.1 CCC(=O)OCC CA1 [0,0,0,0,0,0|0,0,2]=2 1 B6R0.1 CCNC(=O)OC MEC [0,0,0,0,0,0|2,0,1]=3 2 B6R0.1 CCOC(=O)CN GEE [0,0,0,0,0,0|1,0,1]=2 3 B6R0.1 CCOC(=O)NC EMB [0,0,0,0,0,0|1,0,1]=2 4 B5R0.1 C(CN)C(=O)O BAL [1,0,0,0,0,0|3,0,0]=4 5 B5R0.1 C(CO)C(=O)O 3OH [1,0,0,0,0,0|3,0,0]=4 6 B5R0.1 C(CS)C(=O)O MPT [1,0,0,0,0,0|3,0,0]=4 7 B5R0.1 C(C[SeH])C(=O)O SLP [1,0,0,0,0,0|3,0,0]=4 8 B5R0.1 C=C(CCO)Br 3BB [1,0,0,0,0,0|3,0,0]=4 9 B5R0.1 CC(=O)CCO BUQ [1,0,0,0,0,0|2,0,1]=4 10 B5R0.1 CC=CC(=O)O BEO [1,0,0,0,0,0|2,0,1]=4 11 B5R0.1 CCCC(=O)C PNH [1,0,0,0,0,0|1,0,1]=3 12 B5R0.1 CCCC(=O)N BMD [1,0,0,0,0,0|2,0,0]=3 13 B5R0.1 CCCC(=O)O BUA [1,0,0,0,0,0|2,0,0]=3 14 B5R0.1 CCC[N+](=O)[O-] N1P [1,0,0,0,0,0|3,0,0]=4 15 B5R0.1 CCOC(=O)C EEE [1,0,0,0,0,0|0,0,1]=2 16 B5R0.1 CCOC(=O)O 01F [1,0,0,0,0,0|1,0,0]=2 17 B5R0.1 CCO[P@H](=O)O ATJ [1,0,0,0,0,0|2,0,0]=3 18 B5R0.1 CCSC(=N)N ITU [1,0,0,0,0,0|2,1,0]=4 19 B5R0.1 CCSC(=N)N SEU [1,0,0,0,0,0|2,1,0]=4 20 B5R0.1 CNCC(=O)O MGY [1,0,0,0,0,0|3,0,0]=4 21 B5R0.1 CNCC(=O)O SAR [1,0,0,0,0,0|3,0,0]=4 22 B5R0.1 CSCC(=O)[O-] MTG [1,0,0,0,0,0|3,0,0]=4 23 B5R0.1 C[Se]CC(=O)[O-] MSF [1,0,0,0,0,0|3,0,0]=4 24 B5R0.1 C[Te]CC(=O)[O-] MTD [1,0,0,0,0,0|3,0,0]=4 25 B5R0.1 N=C(/N)\NCC EGD [1,0,0,0,0,0|3,0,0]=4 26 B5R0.1 N=C(\N)/[Se]CC ISU [1,0,0,0,0,0|2,1,0]=4 27 B5R0.2 CCC/C=N\O BXO [1,0,0,0,0,0|3,0,0]=4 28 B5R0.2 CCCCC=O PTL [1,0,0,0,0,0|2,0,1]=4 29 B5R0.2 CCOCCO ETX [1,0,0,0,0,0|1,0,2]=4 30 B5R0.3 C(C(=O)CCl)Cl CHM [1,0,0,0,0,0|2,0,1]=4 31 B5R0.3 C(C(=O)CO)O 2HA [1,0,0,0,0,0|2,0,1]=4 32 B5R0.3 CNC(=O)NC MMU [1,0,0,0,0,0|2,0,1]=4 33 B5R0.3 COC(=O)CN MEU [1,0,0,0,0,0|1,0,1]=3 34 B7R0.3 COC(=O)CCCN GVE [0,1,0,0,0,0|2,0,1]=4 35 B7R0.5 C(CO)C(=O)C(=O)O VGX [0,1,0,0,0,0|3,0,0]=4 36 B7R0.5 C/C=C\C(=O)C(=O)O OXP [0,1,0,0,0,0|2,0,1]=4 37 B7R0.5 CCCC(=O)C(=O)O 69O [0,1,0,0,0,0|2,0,0]=3 38 B7R0.5 CCO[P@H](=O)N(C)C NTJ [0,1,0,0,0,0|2,0,1]=4 39 B7R0.7 CCOP(=O)OCC DEP [0,1,0,0,0,0|1,0,2]=4 40 B7R0.10 C=CC(=O)[C@H](CO)N KIK [0,1,0,0,0,0|2,0,0]=3 41 B7R0.11 CCO[P@@](=O)(NC)O TC3 [0,1,0,0,0,0|2,0,1]=4 42 B7R1.3 C1CC=CC(=O)C1 A2Q [0,0,0,1,0,0|1,0,0]=2 43 B7R1.3 C1CCC(=O)CC1 CYH [0,0,0,1,0,0|1,0,2]=4 44 B7R1.4 C1COC(=O)[C@H]1N HSL [0,0,0,1,0,0|1,0,1]=3 45 B7R1.4 CN1CCCC1=O MB3 [0,0,0,1,0,0|2,0,1]=4 46 B7R1.4 CN1CCOC1=O 3MO [0,0,0,1,0,0|1,0,1]=3 47 B4R0.1 C(=O)C(=O)O GLV [2,0,0,0,0,0|1,0,0]=3 48 B4R0.1 C(C(=O)N)F FTM [2,0,0,0,0,0|2,0,0]=4 49 B4R0.1 C(C(=O)N)N GM1 [2,0,0,0,0,0|2,0,0]=4 50 B4R0.1 C(C(=O)O)Br BRM [2,0,0,0,0,0|1,0,1]=4 51 B4R0.1 C(C(=O)O)Br BXA [2,0,0,0,0,0|1,0,1]=4 52 B4R0.1 C(C(=O)O)Cl R3W [2,0,0,0,0,0|1,0,1]=4 53 B4R0.1 C(C(=O)O)F FAH [2,0,0,0,0,0|1,0,1]=4 54 B4R0.1 C(C(=O)O)I 04E [2,0,0,0,0,0|1,0,1]=4 55 B4R0.1 C(C(=O)O)N GLY [2,0,0,0,0,0|1,0,1]=4 56 B4R0.1 C(C(=O)O)N GLY_LFOH [2,0,0,0,0,0|1,0,1]=4 57 B4R0.1 C(C(=O)O)O GOA [2,0,0,0,0,0|1,0,1]=4 58 B4R0.1 C(C(=O)O)S MCR [2,0,0,0,0,0|1,0,1]=4 59 B4R0.1 C(C(=O)O)[NH-] GLY_LEO2H [2,0,0,0,0,0|1,0,1]=4 60 B4R0.1 C(C(=O)S)N GL3 [2,0,0,0,0,0|2,0,0]=4 61 B4R0.1 C(C(=O)[O-])[NH-] GLY_LEO2 [2,0,0,0,0,0|2,0,0]=4 62 B4R0.1 C(C(=O)[O-])[NH3+] GLY_LFZW [2,0,0,0,0,0|2,0,0]=4 63 B4R0.1 C=C(CO)Br BRP [2,0,0,0,0,0|2,0,0]=4 64 B4R0.1 C=CC(=O)N 1HC [2,0,0,0,0,0|1,0,0]=3 65 B4R0.1 C=CC(=O)O AKR [2,0,0,0,0,0|0,0,0]=2 66 B4R0.1 CC(=C)C=C 61G [2,0,0,0,0,0|1,0,0]=3 67 B4R0.1 CC(=C)CN IRS [2,0,0,0,0,0|2,0,0]=4 68 B4R0.1 CC(=O)C=O PVL [2,0,0,0,0,0|1,0,0]=3 69 B4R0.1 CC(=O)CCl ATO [2,0,0,0,0,0|1,0,1]=4 70 B4R0.1 CC(=O)CN GCM [2,0,0,0,0,0|1,0,1]=4 71 B4R0.1 CC(=O)CN GLM [2,0,0,0,0,0|1,0,1]=4 72 B4R0.1 CC(=O)CO 4Y8 [2,0,0,0,0,0|1,0,1]=4 73 B4R0.1 CC(=O)NC NML [2,0,0,0,0,0|1,0,1]=4 74 B4R0.1 CC(=O)NO HAE [2,0,0,0,0,0|2,0,0]=4 75 B4R0.1 CC(=O)OO F50 [2,0,0,0,0,0|1,0,1]=4 76 B4R0.1 CC(=O)O[Hg+] MAC [2,0,0,0,0,0|1,0,1]=4 77 B4R0.1 CC=C(C)C 2MB [2,0,0,0,0,0|1,0,1]=4 78 B4R0.1 CCC(=O)N ROP [2,0,0,0,0,0|1,0,0]=3 79 B4R0.1 CCC(=O)O PPI [2,0,0,0,0,0|1,0,0]=3 80 B4R0.1 CC[N+](=O)[O-] NIE [2,0,0,0,0,0|2,0,0]=4 81 B4R0.1 CNC(=O)N NMU [2,0,0,0,0,0|2,0,0]=4 82 B4R0.1 CNC(=O)O RGI [2,0,0,0,0,0|1,0,1]=4 83 B4R0.1 COC(=O)O 000 [2,0,0,0,0,0|1,0,0]=3 84 B4R0.2 C(CS)C=O MPR [2,0,0,0,0,0|2,0,0]=4 85 B4R0.2 C/C=C/C=O CRD [2,0,0,0,0,0|1,0,1]=4 86 B4R0.2 CC/C=N\O PXO [2,0,0,0,0,0|2,0,0]=4 87 B4R0.2 CCOC=O ETO [2,0,0,0,0,0|0,0,0]=2 88 B4R0.2 CCOCC ETZ [2,0,0,0,0,0|0,0,2]=4 89 B4R0.2 CCOC[O-] EOM [2,0,0,0,0,0|0,0,2]=4 90 B6R0.2 CC(C)CC(=O)O IVA [1,1,0,0,0,0|2,0,0]=4 91 B6R0.2 C[C@@H](CC(=O)O)N B3A [1,1,0,0,0,0|2,0,0]=4 92 B6R0.2 C[C@@H](CC(=O)O)O 3HL [1,1,0,0,0,0|2,0,0]=4 93 B6R0.2 C[C@H](CC(=O)O)O 3HR [1,1,0,0,0,0|2,0,0]=4 94 B6R0.3 CCC(=O)C(=O)O 2KT [1,1,0,0,0,0|2,0,0]=4 95 B6R0.3 CCC(C(=O)O)N AA3 [1,1,0,0,0,0|2,0,0]=4 96 B6R0.3 CC[C@@H](C(=O)O)Cl 39J [1,1,0,0,0,0|2,0,0]=4 97 B6R0.3 CC[C@@H](C(=O)O)N AB7 [1,1,0,0,0,0|2,0,0]=4 98 B6R0.3 CC[C@@H](C(=O)O)N ABA [1,1,0,0,0,0|2,0,0]=4 99 B6R0.3 CC[C@@H](C(=O)O)N UNK [1,1,0,0,0,0|2,0,0]=4 100 B6R0.3 CC[C@H](C(=O)O)N DBB [1,1,0,0,0,0|2,0,0]=4 101 B6R0.3 CC[C@H](C)C(=O)O SMB [1,1,0,0,0,0|2,0,0]=4 102 B6R0.4 C(CC(=O)O)CBr 0A5 [1,1,0,0,0,0|2,0,0]=4 103 B6R0.4 C(CC(=O)O)CN ABU [1,1,0,0,0,0|2,0,0]=4 104 B6R0.4 CCCCC(=O)O LEA [1,1,0,0,0,0|2,0,0]=4 105 B6R0.4 CCCCC(=O)O PEI [1,1,0,0,0,0|2,0,0]=4 106 B6R0.4 CCCOC(=O)C 4PA [1,1,0,0,0,0|0,0,1]=3 107 B6R0.4 CCNCC(=O)O 2JC [1,1,0,0,0,0|2,0,0]=4 108 B6R0.5 CCOP(=O)(O)O EFS [1,1,0,0,0,0|2,0,0]=4 109 B6R0.5 CCO[P@](=O)(C)O VX [1,1,0,0,0,0|1,0,1]=4 110 B6R0.6 C(COCC=O)O 1KA [1,1,0,0,0,0|1,0,1]=4 111 B8R0.2 CC[C@H](C)C(=O)C(=O)O 1QQ [0,2,0,0,0,0|2,0,0]=4 112 B8R0.5 CCOC(=O)CC(=O)C EAC [0,2,0,0,0,0|0,0,1]=3 113 B8R0.23 CC(C)CC(=O)C(=O)O COI [0,2,0,0,0,0|2,0,0]=4 114 B8R0.23 CC(C)NC(=O)C(=O)O 40E [0,2,0,0,0,0|2,0,0]=4 115 B8R0.8 CSCCC(=O)C(=O)O KMT [0,2,0,0,0,0|2,0,0]=4 116 B6R1.2 C1CC(=O)NC1 BAQ [1,0,0,1,0,0|1,0,1]=4 117 B6R1.2 C1CC(=O)OC1 GBL [1,0,0,1,0,0|0,0,1]=3 118 B6R1.2 C1CCC(=O)C1 MFW [1,0,0,1,0,0|1,0,1]=4 119 B8R1.4 C1=CNC(=O)N[C@H]1O HPY [0,1,0,1,0,0|2,0,0]=4 120 B8R1.4 C1CNC(=O)NC1=O DUC [0,1,0,1,0,0|2,0,0]=4 121 B8R1.18 CC1=C[C@@H](OC1=O)O H3M [0,1,0,1,0,0|1,0,0]=3 122 B8R1.5 C1CCC(=O)C(=O)C1 CXO [0,1,0,1,0,0|1,0,1]=4 123 B8R1.22 C1CCC(=O)OCC1 ECE [0,1,0,1,0,0|0,0,2]=4 124 B8R1.50 CC1=C(C(=O)CO1)O 4XX [0,1,0,1,0,0|1,0,1]=4