0 B6R0.1 CCC(=O)OCC CA1 [0,0,0,0,0,0|1,0,1]=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|2,0,1]=3 3 B6R0.1 CCOC(=O)NC EMB [0,0,0,0,0,0|2,0,1]=3 4 B6R0.1 C\C(=C\CO)\CO 6OM [0,0,0,0,0,0|3,0,1]=4 5 B5R0.1 CC(=O)CCO BUQ [1,0,0,0,0,0|1,0,2]=4 6 B5R0.1 CC=CC(=O)O BEO [1,0,0,0,0,0|1,0,0]=2 7 B5R0.1 CCCC(=O)C PNH [1,0,0,0,0,0|0,0,2]=3 8 B5R0.1 CCCC(=O)N BMD [1,0,0,0,0,0|1,0,2]=4 9 B5R0.1 CCCC(=O)O BUA [1,0,0,0,0,0|1,0,2]=4 10 B5R0.1 CCOC(=O)C EEE [1,0,0,0,0,0|1,0,1]=3 11 B5R0.1 CCOC(=O)O 01F [1,0,0,0,0,0|2,0,1]=4 12 B5R0.1 CNCC(=O)O MGY [1,0,0,0,0,0|2,0,1]=4 13 B5R0.1 CNCC(=O)O SAR [1,0,0,0,0,0|2,0,1]=4 14 B5R0.1 CSCC(=O)[O-] MTG [1,0,0,0,0,0|2,0,1]=4 15 B5R0.1 CSC[S@@](=O)C DSS [1,0,0,0,0,0|2,0,1]=4 16 B5R0.1 C[Se]CC(=O)[O-] MSF [1,0,0,0,0,0|2,0,1]=4 17 B5R0.1 C[Te]CC(=O)[O-] MTD [1,0,0,0,0,0|2,0,1]=4 18 B5R0.2 C(=CC=O)C=O 2FU [1,0,0,0,0,0|2,0,1]=4 19 B5R0.2 CCC/C=N\O BXO [1,0,0,0,0,0|2,0,1]=4 20 B5R0.2 CCCCC=O PTL [1,0,0,0,0,0|1,0,2]=4 21 B5R0.2 CCCCCC HEX [1,0,0,0,0,0|0,0,3]=4 22 B5R0.3 C(C(=O)CCl)Cl CHM [1,0,0,0,0,0|2,0,1]=4 23 B5R0.3 C(C(=O)CO)O 2HA [1,0,0,0,0,0|2,0,1]=4 24 B5R0.3 CCC(CC)N D0M [1,0,0,0,0,0|1,0,2]=4 25 B5R0.3 CNC(=O)NC MMU [1,0,0,0,0,0|2,0,0]=3 26 B5R0.3 COC(=O)CN MEU [1,0,0,0,0,0|2,0,0]=3 27 B7R0.3 COC(=O)CCCN GVE [0,1,0,0,0,0|1,0,2]=4 28 B7R0.5 C/C=C\C(=O)C(=O)O OXP [0,1,0,0,0,0|1,0,1]=3 29 B7R0.7 CCOP(=O)OCC DEP [0,1,0,0,0,0|2,0,1]=4 30 B7R0.10 COC(=O)C(=C)CO 23W [0,1,0,0,0,0|2,0,1]=4 31 B7R1.1 CCc1[nH]ccn1 2EZ [0,0,0,1,0,0|2,0,1]=4 32 B7R1.1 c1cscc1CN BVC [0,0,0,1,0,0|3,0,0]=4 33 B7R1.2 C1C(=O)NC(=O)N1 HYN [0,0,0,1,0,0|3,0,0]=4 34 B7R1.2 C1CC(=O)CC1=O CEJ [0,0,0,1,0,0|1,0,1]=3 35 B7R1.2 Cc1cc(no1)N M3I [0,0,0,1,0,0|3,0,0]=4 36 B7R1.2 Cc1cc(on1)N MIO [0,0,0,1,0,0|3,0,0]=4 37 B7R1.3 C1CC=CC(=O)C1 A2Q [0,0,0,1,0,0|0,0,0]=1 38 B7R1.3 C1CCC(=O)CC1 CYH [0,0,0,1,0,0|0,0,2]=3 39 B7R1.3 C1CCNC(=N)C1 2IM [0,0,0,1,0,0|2,0,1]=4 40 B7R1.4 C1COC(=O)[C@H]1N HSL [0,0,0,1,0,0|2,0,1]=4 41 B7R1.4 C1[C@H](C(=O)NO1)N 4AX [0,0,0,1,0,0|3,0,0]=4 42 B7R1.4 CN1CCCC1=O MB3 [0,0,0,1,0,0|1,0,2]=4 43 B7R1.4 CN1CCOC1=O 3MO [0,0,0,1,0,0|2,0,1]=4 44 B4R0.1 C(=O)C(=O)O GLV [2,0,0,0,0,0|2,0,0]=4 45 B4R0.1 C(C(=O)N)F FTM [2,0,0,0,0,0|2,0,0]=4 46 B4R0.1 C(C(=O)N)N GM1 [2,0,0,0,0,0|2,0,0]=4 47 B4R0.1 C(C(=O)O)Br BRM [2,0,0,0,0,0|2,0,0]=4 48 B4R0.1 C(C(=O)O)Br BXA [2,0,0,0,0,0|2,0,0]=4 49 B4R0.1 C(C(=O)O)Cl R3W [2,0,0,0,0,0|2,0,0]=4 50 B4R0.1 C(C(=O)O)F FAH [2,0,0,0,0,0|2,0,0]=4 51 B4R0.1 C(C(=O)O)I 04E [2,0,0,0,0,0|2,0,0]=4 52 B4R0.1 C(C(=O)O)N GLY [2,0,0,0,0,0|2,0,0]=4 53 B4R0.1 C(C(=O)O)N GLY_LFOH [2,0,0,0,0,0|2,0,0]=4 54 B4R0.1 C(C(=O)O)O GOA [2,0,0,0,0,0|2,0,0]=4 55 B4R0.1 C(C(=O)O)S MCR [2,0,0,0,0,0|2,0,0]=4 56 B4R0.1 C(C(=O)O)[NH-] GLY_LEO2H [2,0,0,0,0,0|2,0,0]=4 57 B4R0.1 C(C(=O)S)N GL3 [2,0,0,0,0,0|2,0,0]=4 58 B4R0.1 C(C(=O)[O-])[NH-] GLY_LEO2 [2,0,0,0,0,0|2,0,0]=4 59 B4R0.1 C(C(=O)[O-])[NH3+] GLY_LFZW [2,0,0,0,0,0|2,0,0]=4 60 B4R0.1 C=C(CO)Br BRP [2,0,0,0,0,0|2,0,0]=4 61 B4R0.1 C=CC(=O)N 1HC [2,0,0,0,0,0|1,0,0]=3 62 B4R0.1 C=CC(=O)O AKR [2,0,0,0,0,0|1,0,0]=3 63 B4R0.1 CC(=C)C=C 61G [2,0,0,0,0,0|1,0,0]=3 64 B4R0.1 CC(=C)CN IRS [2,0,0,0,0,0|2,0,0]=4 65 B4R0.1 CC(=O)C=O PVL [2,0,0,0,0,0|1,0,0]=3 66 B4R0.1 CC(=O)CCl ATO [2,0,0,0,0,0|1,0,0]=3 67 B4R0.1 CC(=O)CN GCM [2,0,0,0,0,0|1,0,0]=3 68 B4R0.1 CC(=O)CN GLM [2,0,0,0,0,0|1,0,0]=3 69 B4R0.1 CC(=O)CO 4Y8 [2,0,0,0,0,0|1,0,0]=3 70 B4R0.1 CC(=O)NC NML [2,0,0,0,0,0|1,0,0]=3 71 B4R0.1 CC(=O)NO HAE [2,0,0,0,0,0|2,0,0]=4 72 B4R0.1 CC(=O)OO F50 [2,0,0,0,0,0|2,0,0]=4 73 B4R0.1 CC(=O)O[Hg+] MAC [2,0,0,0,0,0|2,0,0]=4 74 B4R0.1 CC=C(C)C 2MB [2,0,0,0,0,0|1,0,0]=3 75 B4R0.1 CCC(=O)N ROP [2,0,0,0,0,0|1,0,0]=3 76 B4R0.1 CCC(=O)O PPI [2,0,0,0,0,0|1,0,0]=3 77 B4R0.1 CC[C@H](C)O SBT [2,0,0,0,0,0|0,0,2]=4 78 B4R0.1 CC[N+](=O)[O-] NIE [2,0,0,0,0,0|2,0,0]=4 79 B4R0.1 CNC(=O)N NMU [2,0,0,0,0,0|2,0,0]=4 80 B4R0.1 CNC(=O)O RGI [2,0,0,0,0,0|2,0,0]=4 81 B4R0.1 COC(=O)O 000 [2,0,0,0,0,0|2,0,0]=4 82 B4R0.2 C(C=O)C=O MDD [2,0,0,0,0,0|1,0,1]=4 83 B4R0.2 C/C=C/C=O CRD [2,0,0,0,0,0|0,0,0]=2 84 B4R0.2 CC/C=N\O PXO [2,0,0,0,0,0|2,0,0]=4 85 B4R0.2 CCCCC LNK [2,0,0,0,0,0|0,0,2]=4 86 B4R0.2 CCOC=O ETO [2,0,0,0,0,0|1,0,1]=4 87 B4R0.2 CCOCC ETZ [2,0,0,0,0,0|1,0,1]=4 88 B6R0.2 CC(=O)CC(=O)C P2D [1,1,0,0,0,0|0,0,1]=3 89 B6R0.2 CC(=O)CC(=O)O AAE [1,1,0,0,0,0|1,0,1]=4 90 B6R0.2 CC(=O)CC(=O)O LIN [1,1,0,0,0,0|1,0,1]=4 91 B6R0.3 C(=C(/C(=O)O)\N)\S BB9 [1,1,0,0,0,0|2,0,0]=4 92 B6R0.3 C(=C(\C(=O)O)/N)/[SeH] 30F [1,1,0,0,0,0|2,0,0]=4 93 B6R0.3 C/C=C(/C(=O)O)\N DBU [1,1,0,0,0,0|1,0,0]=3 94 B6R0.3 CCC(=O)C(=O)O 2KT [1,1,0,0,0,0|1,0,1]=4 95 B6R0.3 CNC(=C)C(=O)O DAM [1,1,0,0,0,0|2,0,0]=4 96 B6R0.3 C\C=C(\C)/C(=O)O MB8 [1,1,0,0,0,0|1,0,0]=3 97 B6R0.4 CCCOC(=O)C 4PA [1,1,0,0,0,0|0,0,2]=4 98 B8R0.5 C(CO)C(=O)CC(=O)O 98J [0,2,0,0,0,0|1,0,1]=4 99 B8R0.5 CCOC(=O)CC(=O)C EAC [0,2,0,0,0,0|0,0,1]=3 100 B8R0.19 N=C(/NC)\NC(=O)NC XRG [0,2,0,0,0,0|2,0,0]=4 101 B6R1.2 C1CC(=O)NC1 BAQ [1,0,0,1,0,0|1,0,1]=4 102 B6R1.2 C1CC(=O)OC1 GBL [1,0,0,1,0,0|1,0,1]=4 103 B6R1.2 C1CCC(=O)C1 MFW [1,0,0,1,0,0|0,0,2]=4 104 B6R1.2 Cc1cc[nH]c1 5MP [1,0,0,1,0,0|2,0,0]=4 105 B8R1.1 C1CC(=O)N[C@@H]1C=O CGN [0,1,0,1,0,0|1,0,1]=4 106 B8R1.4 C1CNC(=O)NC1=O DUC [0,1,0,1,0,0|2,0,0]=4 107 B8R1.4 CN1CC=CC(=C1)N LG5 [0,1,0,1,0,0|1,0,1]=4 108 B8R1.4 C[C@H]1CCNC(=C1)N 284 [0,1,0,1,0,0|1,0,1]=4 109 B8R1.18 C1[C@@H](C(=O)NC1=O)N SNN [0,1,0,1,0,0|2,0,0]=4 110 B8R1.2 CCc1ccccc1 N2B [0,1,0,1,0,0|1,0,1]=4 111 B8R1.2 CCc1ccccc1 PYJ [0,1,0,1,0,0|1,0,1]=4 112 B8R1.5 C1CCC(=O)C(=O)C1 CXO [0,1,0,1,0,0|0,0,1]=3 113 B8R1.5 C1C[C@@H](C(=O)NC1)O XDL [0,1,0,1,0,0|1,0,1]=4 114 B8R1.22 C1CCC(=O)NCC1 ICC [0,1,0,1,0,0|0,0,2]=4 115 B8R1.22 C1CCC(=O)OCC1 ECE [0,1,0,1,0,0|0,0,2]=4 116 B8R1.50 CC1=C(C(=O)CO1)O 4XX [0,1,0,1,0,0|1,0,0]=3 117 B8R1.50 CN1C(=O)CCC1=O LCY [0,1,0,1,0,0|2,0,0]=4 118 B8R1.50 Cc1csc([n+]1C)C TMT [0,1,0,1,0,0|2,0,0]=4 119 B8R1.8 c1cc(oc1)CCN 56T [0,1,0,1,0,0|0,0,2]=4 120 B8R1.11 C1CC(=O)C(=C1)CO 3RN [0,1,0,1,0,0|1,0,1]=4