0 B7R0.1 C(CCCBr)CCO BHL [0,0,0,0,0,0|1,0,2]=3 1 B7R0.1 C(CCCN)CCN 16D [0,0,0,0,0,0|2,0,2]=4 2 B7R0.1 C(CCCO)CCN 6AH [0,0,0,0,0,0|1,0,2]=3 3 B7R0.1 C(CCCO)CCO HEZ [0,0,0,0,0,0|1,0,2]=3 4 B7R0.1 C(CSSCCO)O HED [0,0,0,0,0,0|3,0,1]=4 5 B7R0.1 CCCCCCC#N CNX [0,0,0,0,0,0|1,0,3]=4 6 B7R0.1 CCCCCCCC OCT [0,0,0,0,0,0|1,0,2]=3 7 B7R0.1 CCCCCCCO HE4 [0,0,0,0,0,0|0,0,2]=2 8 B7R0.1 CCCSSCCC SSP [0,0,0,0,0,0|3,0,1]=4 9 B7R0.1 COCCOCCO PG0 [0,0,0,0,0,0|2,0,2]=4 10 B6R0.6 C(CCN)CCN N2P [1,0,0,0,0,0|2,0,1]=4 11 B6R0.6 C(CCO)CC=O GAQ [1,0,0,0,0,0|1,0,1]=3 12 B6R0.6 C(COCC=O)O 1KA [1,0,0,0,0,0|2,0,1]=4 13 B6R0.6 C(COCCO)O PEG [1,0,0,0,0,0|2,0,1]=4 14 B6R0.6 CCCCCCC HP6 [1,0,0,0,0,0|0,0,2]=3 15 B6R0.6 CCCCCCO HE2 [1,0,0,0,0,0|0,0,1]=2 16 B6R0.6 CCCCNC=O YIV [1,0,0,0,0,0|3,0,0]=4 17 B6R0.6 CCCSCCO 266 [1,0,0,0,0,0|1,0,1]=3 18 B8R0.4 C(CCNCCN)CN P24 [0,1,0,0,0,0|2,0,1]=4 19 B8R0.4 C(CN)CNCCCN NSD [0,1,0,0,0,0|2,0,1]=4 20 B8R0.4 CCCCCCCC=O OYA [0,1,0,0,0,0|0,0,3]=4 21 B8R0.4 CCCCCCCCC DD9 [0,1,0,0,0,0|1,0,2]=4 22 B8R0.4 CCCCCCCCO OC9 [0,1,0,0,0,0|0,0,2]=3 23 B8R0.4 CCOCCOCCO AE3 [0,1,0,0,0,0|1,0,1]=3 24 B8R0.6 C(CCN)C[C@@H](CO)N LYJ [0,1,0,0,0,0|1,0,2]=4 25 B8R0.7 CC(C)CCCCCO MHN [0,1,0,0,0,0|0,0,2]=3 26 B8R0.7 CCCCCCC(=O)O SHV [0,1,0,0,0,0|0,0,3]=4 27 B8R1.2 C1CCC(CC1)C[NH3+] AMC [0,0,0,1,0,0|1,0,2]=4 28 B8R1.2 CCC1CCNCC1 EPI [0,0,0,1,0,0|2,0,1]=4 29 B8R1.2 CC[C@H]1CCCCN1 2EP [0,0,0,1,0,0|1,0,2]=4 30 B8R1.5 C1CC[C@@H]([C@H](C1)O)O 3ZQ [0,0,0,1,0,0|1,0,2]=4 31 B8R1.5 C1CC[C@H]([C@@H](C1)O)O 40O [0,0,0,1,0,0|1,0,2]=4 32 B8R1.5 C1CNC[C@H]([C@@H]1O)O XIF [0,0,0,1,0,0|2,0,1]=4 33 B8R1.5 C[C@H]1CCCC[C@@H]1O 4DX [0,0,0,1,0,0|0,0,2]=3 34 B8R1.8 c1cnn(c1)CCO 1DU [0,0,0,1,0,0|2,0,1]=4 35 B8R1.11 C1=CO[C@H]([C@@H]1O)CO R2G [0,0,0,1,0,0|2,0,0]=3 36 B8R1.11 C1CC(=O)C(=C1)CO 3RN [0,0,0,1,0,0|1,0,2]=4 37 B8R1.22 C1CCCC(CC1)N SZ1 [0,0,0,1,0,0|1,0,2]=4 38 B5R0.2 C(CCN)CN PUT [2,0,0,0,0,0|2,0,0]=4 39 B5R0.2 C(CCO)CO BU1 [2,0,0,0,0,0|1,0,0]=3 40 B5R0.2 C(CCO)C[NH3+] 4HA [2,0,0,0,0,0|1,0,0]=3 41 B5R0.2 CCC/C=N\O BXO [2,0,0,0,0,0|1,0,1]=4 42 B5R0.2 CCCCC=O PTL [2,0,0,0,0,0|0,0,2]=4 43 B5R0.2 CCCCCBr 5BR [2,0,0,0,0,0|1,0,0]=3 44 B5R0.2 CCCCCC HEX [2,0,0,0,0,0|0,0,1]=3 45 B5R0.2 CCCCCCl 7CL [2,0,0,0,0,0|1,0,0]=3 46 B5R0.2 CCCCCN AML [2,0,0,0,0,0|1,0,0]=3 47 B5R0.2 CCCCCO PE9 [2,0,0,0,0,0|0,0,0]=2 48 B5R0.2 CCCC[N+]#[C-] NBN [2,0,0,0,0,0|2,0,0]=4 49 B5R0.2 CCOCCO ETX [2,0,0,0,0,0|1,0,0]=3 50 B5R0.2 CNCCCN N3D [2,0,0,0,0,0|2,0,0]=4 51 B7R0.3 C(C[C@@H](CO)O)CO XXD [1,1,0,0,0,0|1,0,1]=4 52 B7R0.3 C=CCC[C@@H](CO)O 217 [1,1,0,0,0,0|0,0,2]=4 53 B7R0.3 CCCC[C@@H](CO)N 2AO [1,1,0,0,0,0|0,0,1]=3 54 B7R0.3 CCCC[C@@H](CO)O 0RE [1,1,0,0,0,0|0,0,1]=3 55 B7R0.3 CCCC[C@H](CO)O 7FB [1,1,0,0,0,0|0,0,1]=3 56 B7R0.3 COC(=O)CCCN GVE [1,1,0,0,0,0|2,0,0]=4 57 B7R0.4 C(CCO)CC(=O)O SHO [1,1,0,0,0,0|1,0,1]=4 58 B7R0.4 C(CNC(=[NH2+])N)CO PG3 [1,1,0,0,0,0|2,0,0]=4 59 B7R0.4 C(\C=C\CN)C(=O)O FBE [1,1,0,0,0,0|1,0,1]=4 60 B7R0.4 CCCCCC(=O)C HTX [1,1,0,0,0,0|1,0,1]=4 61 B7R0.4 CCCCCC(=O)O 6NA [1,1,0,0,0,0|0,0,2]=4 62 B7R0.4 CCCCOC(=O)C 8JZ [1,1,0,0,0,0|2,0,0]=4 63 B7R0.7 CC(CCO)CCO 40S [1,1,0,0,0,0|1,0,1]=4 64 B9R0.8 CCCC[C@@H]([C@@H](CO)O)O HT3 [0,2,0,0,0,0|0,0,2]=4 65 B9R0.8 CCCC[C@H]([C@@H](CO)O)O HTO [0,2,0,0,0,0|0,0,2]=4 66 B9R0.8 CCCC[C@H]([C@H](CO)O)O HTH [0,2,0,0,0,0|0,0,2]=4 67 B9R0.2 CCCCCCCC(=O)O OCA [0,2,0,0,0,0|0,0,2]=4 68 B9R0.45 C(CCCCO)CCCO ODI [0,2,0,0,0,0|0,0,2]=4 69 B9R0.45 C(COCCOCCO)O PGE [0,2,0,0,0,0|1,0,1]=4 70 B9R0.45 C(COCCOCCO)O PIG [0,2,0,0,0,0|1,0,1]=4 71 B9R0.45 CCCCCCCCCO F09 [0,2,0,0,0,0|0,0,2]=4 72 B9R0.45 CCOCCOCCOC ME2 [0,2,0,0,0,0|1,0,1]=4 73 B9R0.46 C(CN)CSC[C@@H](CO)N BPE [0,2,0,0,0,0|1,0,1]=4 74 B9R0.47 CCCCNC(=O)[C@H](C)N UM2 [0,2,0,0,0,0|2,0,0]=4 75 B7R1.3 C1CC=CC(=O)C1 A2Q [1,0,0,1,0,0|1,0,1]=4 76 B7R1.3 C1CCC(CC1)O CXL [1,0,0,1,0,0|0,0,1]=3 77 B7R1.3 C1CCC(CC1)[NH3+] HAI [1,0,0,1,0,0|1,0,1]=4 78 B7R1.3 C1C[C@H](CN=C1)N XBB [1,0,0,1,0,0|2,0,0]=4 79 B7R1.4 C1C[C@H]([C@H](C1)O)O 17Y [1,0,0,1,0,0|1,0,1]=4 80 B7R1.7 CCCC[C@@H]1CO1 0PZ [1,0,0,1,0,0|0,0,1]=3 81 B9R1.8 CCO[C@@H]1CCC=CO1 JZ7 [0,1,0,1,0,0|2,0,0]=4 82 B9R1.12 COCC[C@@H]1CCCN1 49F [0,1,0,1,0,0|1,0,1]=4 83 B9R1.33 Cc1nccn1CCO 51F [0,1,0,1,0,0|1,0,1]=4 84 B9R1.69 C[C@@H]1[C@H](CC[C@@H](O1)O)O CDR [0,1,0,1,0,0|1,0,1]=4 85 B9R1.75 CCOC(=O)C[C@H]1CO1 IXW [0,1,0,1,0,0|1,0,0]=3 86 B9R1.1 C1CC(CCC1CO)O HB0 [0,1,0,1,0,0|0,0,2]=4 87 B9R1.3 C[C@H]1CCC[C@H]([C@@H]1O)O Q6Z [0,1,0,1,0,0|0,0,2]=4 88 B9R1.11 C1C[C@H](NC1)[C@H](CO)O TPK [0,1,0,1,0,0|1,0,1]=4 89 B9R1.132 C1=C([C@@H]([C@H](O1)CO)O)O R2B [0,1,0,1,0,0|2,0,0]=4 90 B9R1.41 C[C@@H]1C=CN[C@H]1C(=O)O BGX [0,1,0,1,0,0|1,0,1]=4