0 B7R0.3 CCCC[C@@H](CO)N 2AO [0,0,0,0,0,0|3,0,1]=4 1 B7R0.3 CCCC[C@@H](CO)O 0RE [0,0,0,0,0,0|2,0,2]=4 2 B7R0.3 CCCC[C@H](CO)O 7FB [0,0,0,0,0,0|2,0,2]=4 3 B7R0.3 COC(=O)CCCN GVE [0,0,0,0,0,0|3,0,0]=3 4 B6R0.1 CCC(=O)OCC CA1 [1,0,0,0,0,0|0,0,0]=1 5 B6R0.1 CCC[C@@H](CO)O 1SP [1,0,0,0,0,0|1,0,2]=4 6 B6R0.1 CCNC(=O)OC MEC [1,0,0,0,0,0|2,0,0]=3 7 B6R0.1 CCOC(=O)CN GEE [1,0,0,0,0,0|1,0,0]=2 8 B6R0.1 CCOC(=O)NC EMB [1,0,0,0,0,0|1,0,0]=2 9 B6R0.4 C(CC(=O)O)CBr 0A5 [1,0,0,0,0,0|3,0,0]=4 10 B6R0.4 C(CC(=O)O)CN ABU [1,0,0,0,0,0|3,0,0]=4 11 B6R0.4 CCCCC(=O)O LEA [1,0,0,0,0,0|2,0,0]=3 12 B6R0.4 CCCCC(=O)O PEI [1,0,0,0,0,0|2,0,0]=3 13 B6R0.4 CCCOC(=O)C 4PA [1,0,0,0,0,0|0,0,0]=1 14 B6R0.4 CCNCC(=O)O 2JC [1,0,0,0,0,0|3,0,0]=4 15 B6R0.6 C(COCCO)O PEG [1,0,0,0,0,0|2,0,1]=4 16 B6R0.6 CCCCCCC HP6 [1,0,0,0,0,0|1,0,1]=3 17 B6R0.6 CCCCCCO HE2 [1,0,0,0,0,0|2,0,1]=4 18 B6R0.6 CCCSCCO 266 [1,0,0,0,0,0|1,1,1]=4 19 B8R0.6 C(CCN)CC(=O)NO 5XA [0,1,0,0,0,0|3,0,0]=4 20 B8R0.11 CCCC[C@H](CC)CO 2EH [0,1,0,0,0,0|1,0,2]=4 21 B8R1.1 C1CC(=O)N[C@@H]1C=O CGN [0,0,0,1,0,0|2,0,1]=4 22 B8R1.2 CC[C@H]1CCCCN1 2EP [0,0,0,1,0,0|2,0,1]=4 23 B8R1.3 CC1CCC(CC1)N 2MH [0,0,0,1,0,0|2,0,1]=4 24 B8R1.3 CC1CCC(CC1)N 4JU [0,0,0,1,0,0|2,0,1]=4 25 B8R1.5 C1CCC(=O)C(=O)C1 CXO [0,0,0,1,0,0|2,0,1]=4 26 B8R1.5 C1C[C@@H](C(=O)NC1)O XDL [0,0,0,1,0,0|2,0,0]=3 27 B8R1.5 C[C@H]1CCCC[C@@H]1O 4DX [0,0,0,1,0,0|1,0,2]=4 28 B8R1.22 C1CCC(=O)NCC1 ICC [0,0,0,1,0,0|1,0,0]=2 29 B8R1.22 C1CCC(=O)OCC1 ECE [0,0,0,1,0,0|0,0,0]=1 30 B8R1.22 C1CCCC(CC1)N SZ1 [0,0,0,1,0,0|2,0,1]=4 31 B5R0.1 C(CN)C(=O)O BAL [2,0,0,0,0,0|2,0,0]=4 32 B5R0.1 C(CO)C(=O)O 3OH [2,0,0,0,0,0|2,0,0]=4 33 B5R0.1 C(CS)C(=O)O MPT [2,0,0,0,0,0|2,0,0]=4 34 B5R0.1 C(C[SeH])C(=O)O SLP [2,0,0,0,0,0|2,0,0]=4 35 B5R0.1 CC(=O)CCO BUQ [2,0,0,0,0,0|1,0,0]=3 36 B5R0.1 CCCC(=O)C PNH [2,0,0,0,0,0|0,0,0]=2 37 B5R0.1 CCCC(=O)N BMD [2,0,0,0,0,0|1,0,0]=3 38 B5R0.1 CCCC(=O)O BUA [2,0,0,0,0,0|1,0,0]=3 39 B5R0.1 CCC[N+](=O)[O-] N1P [2,0,0,0,0,0|2,0,0]=4 40 B5R0.1 CCOC(=O)C EEE [2,0,0,0,0,0|0,0,0]=2 41 B5R0.1 CCOC(=O)O 01F [2,0,0,0,0,0|1,0,0]=3 42 B5R0.1 CCO[P@H](=O)O ATJ [2,0,0,0,0,0|2,0,0]=4 43 B5R0.1 CNCC(=O)O MGY [2,0,0,0,0,0|2,0,0]=4 44 B5R0.1 CNCC(=O)O SAR [2,0,0,0,0,0|2,0,0]=4 45 B5R0.1 CSCC(=O)[O-] MTG [2,0,0,0,0,0|2,0,0]=4 46 B5R0.1 CSC[S@@](=O)C DSS [2,0,0,0,0,0|2,0,0]=4 47 B5R0.1 C[Se]CC(=O)[O-] MSF [2,0,0,0,0,0|2,0,0]=4 48 B5R0.1 C[Te]CC(=O)[O-] MTD [2,0,0,0,0,0|2,0,0]=4 49 B5R0.2 C(CCl)NC=O CEC [2,0,0,0,0,0|2,0,0]=4 50 B5R0.2 CCC/C=N\O BXO [2,0,0,0,0,0|2,0,0]=4 51 B5R0.2 CCCCC=O PTL [2,0,0,0,0,0|1,0,0]=3 52 B5R0.2 CCCCCBr 5BR [2,0,0,0,0,0|1,0,1]=4 53 B5R0.2 CCCCCC HEX [2,0,0,0,0,0|0,0,1]=3 54 B5R0.2 CCCCCCl 7CL [2,0,0,0,0,0|1,0,1]=4 55 B5R0.2 CCCCCN AML [2,0,0,0,0,0|1,0,1]=4 56 B5R0.2 CCCCCO PE9 [2,0,0,0,0,0|1,0,1]=4 57 B5R0.2 CCOCCO ETX [2,0,0,0,0,0|1,0,0]=3 58 B5R0.3 C(C(=O)CCl)Cl CHM [2,0,0,0,0,0|2,0,0]=4 59 B5R0.3 C(C(=O)CO)O 2HA [2,0,0,0,0,0|2,0,0]=4 60 B5R0.3 CCC(CC)N D0M [2,0,0,0,0,0|1,0,1]=4 61 B5R0.3 CNC(=O)NC MMU [2,0,0,0,0,0|2,0,0]=4 62 B5R0.3 COC(=O)CN MEU [2,0,0,0,0,0|1,0,0]=3 63 B7R0.5 CCCC(=O)C(=O)O 69O [1,1,0,0,0,0|1,0,1]=4 64 B7R0.5 CCO[P@H](=O)N(C)C NTJ [1,1,0,0,0,0|2,0,0]=4 65 B7R0.7 CCOP(=O)OCC DEP [1,1,0,0,0,0|1,0,0]=3 66 B7R0.10 C([C@@H](C(=O)CO)O)O LER [1,1,0,0,0,0|2,0,0]=4 67 B7R0.10 COC(=O)[C@H](CO)N 5R5 [1,1,0,0,0,0|2,0,0]=4 68 B7R0.10 COC(=O)[C@H](CS)N CMT [1,1,0,0,0,0|2,0,0]=4 69 B7R0.11 CCO[P@@](=O)(NC)O TC3 [1,1,0,0,0,0|2,0,0]=4 70 B7R0.4 C(CCO)CC(=O)O SHO [1,1,0,0,0,0|2,0,0]=4 71 B7R0.4 C(CC[NH3+])CC(=O)O DAV [1,1,0,0,0,0|2,0,0]=4 72 B7R0.4 C(COCC(=O)O)O VKC [1,1,0,0,0,0|2,0,0]=4 73 B7R0.4 C(C[O-])CO[P+](=O)[O-] P1P [1,1,0,0,0,0|2,0,0]=4 74 B7R0.4 CCCCCC(=O)C HTX [1,1,0,0,0,0|1,0,0]=3 75 B7R0.4 CCCCCC(=O)O 6NA [1,1,0,0,0,0|2,0,0]=4 76 B7R0.4 CCCCOC(=O)C 8JZ [1,1,0,0,0,0|0,0,0]=2 77 B7R0.6 CC(C)CCC(=O)O 4MV [1,1,0,0,0,0|2,0,0]=4 78 B7R0.6 CC(C)COC(=O)O IBU [1,1,0,0,0,0|1,0,0]=3 79 B7R0.6 C[C@@H](CCC(=O)O)N 0W6 [1,1,0,0,0,0|2,0,0]=4 80 B7R0.1 CCCCCCCC OCT [1,1,0,0,0,0|1,0,1]=4 81 B7R0.1 CCCCCCCO HE4 [1,1,0,0,0,0|1,0,1]=4 82 B7R0.1 CCCSSCCC SSP [1,1,0,0,0,0|0,1,1]=4 83 B7R0.1 COCCOCCO PG0 [1,1,0,0,0,0|1,0,1]=4 84 B9R0.4 CCCCC(=O)CC(=O)O BKA [0,2,0,0,0,0|1,0,1]=4 85 B9R0.5 C(CSC(=O)CC[S-])C=O OPS [0,2,0,0,0,0|0,1,1]=4 86 B9R0.8 CCCC[C@@H](C(=O)OC)N NLO [0,2,0,0,0,0|2,0,0]=4 87 B9R0.66 CCCN[P@](=O)(O)OCC TC5 [0,2,0,0,0,0|2,0,0]=4 88 B9R0.23 CC(C)C[C@@H](C(=O)CO)N LEX [0,2,0,0,0,0|2,0,0]=4 89 B9R0.23 CC(C)C[C@@H](C(=O)NC)N LNM [0,2,0,0,0,0|2,0,0]=4 90 B9R0.23 CC(C)C[C@@H](C(=O)OC)N MLL [0,2,0,0,0,0|2,0,0]=4 91 B9R0.27 CC[C@H](C)[C@@H](C(=O)OC)N ILM [0,2,0,0,0,0|2,0,0]=4 92 B9R0.47 CCCCNC(=O)[C@H](C)N UM2 [0,2,0,0,0,0|1,0,0]=3 93 B9R0.21 CCC(=O)CCC(C)(C)O LTL [0,2,0,0,0,0|1,0,0]=3 94 B7R1.2 C1CC(=O)CC1=O CEJ [1,0,0,1,0,0|1,0,1]=4 95 B7R1.3 C1CC=CC(=O)C1 A2Q [1,0,0,1,0,0|0,0,2]=4 96 B7R1.3 C1CCC(=O)CC1 CYH [1,0,0,1,0,0|0,0,0]=2 97 B7R1.3 C1CCC(CC1)O CXL [1,0,0,1,0,0|0,0,2]=4 98 B7R1.3 C1CCC(CC1)[NH3+] HAI [1,0,0,1,0,0|1,0,1]=4 99 B7R1.3 C1CCNC(=N)C1 2IM [1,0,0,1,0,0|2,0,0]=4 100 B7R1.4 C1COC(=O)[C@H]1N HSL [1,0,0,1,0,0|1,0,0]=3 101 B7R1.4 CN1CCCC1=O MB3 [1,0,0,1,0,0|1,0,0]=3 102 B7R1.4 CN1CCOC1=O 3MO [1,0,0,1,0,0|1,0,0]=3 103 B9R1.75 CCOC(=O)C[C@H]1CO1 IXW [0,1,0,1,0,0|2,0,0]=4 104 B9R1.3 CC1C(=O)CCCC1=O 70V [0,1,0,1,0,0|1,0,1]=4 105 B9R1.3 C[C@H]1C=COC(=O)[C@H]1N 0AB [0,1,0,1,0,0|1,0,1]=4 106 B9R1.11 CNC(=O)[C@@H]1CCCN1 9PR [0,1,0,1,0,0|2,0,0]=4 107 B9R1.11 COC(=O)[C@@H]1CCCN1 PLJ [0,1,0,1,0,0|2,0,0]=4 108 B9R1.11 COC(=O)[C@H]1CCCN1 PDW [0,1,0,1,0,0|2,0,0]=4 109 B9R1.138 CC1(CCC(=O)N1C)C IP4 [0,1,0,1,0,0|2,0,0]=4 110 B9R2.39 C1C[C@@H]2C[C@H]1CC2=O NCM [0,0,0,2,0,0|1,0,0]=3