0 B8R0.4 C(CCNCCN)CN P24 [0,0,0,0,0,0|3,0,1]=4 1 B8R0.4 C(CN)CNCCCN NSD [0,0,0,0,0,0|3,0,1]=4 2 B8R0.4 CCCCCCCC=O OYA [0,0,0,0,0,0|0,0,0]=0 3 B8R0.4 CCCCCCCCC DD9 [0,0,0,0,0,0|1,0,1]=2 4 B8R0.4 CCCCCCCCO OC9 [0,0,0,0,0,0|0,0,2]=2 5 B8R0.4 CCOCCOCCO AE3 [0,0,0,0,0,0|2,0,2]=4 6 B8R0.4 COCCOCCOC M2M [0,0,0,0,0,0|4,0,0]=4 7 B7R0.1 C(CCC=O)CCN DNL [1,0,0,0,0,0|1,0,0]=2 8 B7R0.1 C(CCCBr)CCO BHL [1,0,0,0,0,0|1,0,1]=3 9 B7R0.1 C(CCCN)CCN 16D [1,0,0,0,0,0|2,0,0]=3 10 B7R0.1 C(CCCO)CCN 6AH [1,0,0,0,0,0|1,0,1]=3 11 B7R0.1 C(CCCO)CCO HEZ [1,0,0,0,0,0|1,0,1]=3 12 B7R0.1 CCCCCCC#N CNX [1,0,0,0,0,0|1,0,1]=3 13 B7R0.1 CCCCCCCC OCT [1,0,0,0,0,0|0,0,1]=2 14 B7R0.1 CCCCCCCO HE4 [1,0,0,0,0,0|0,0,1]=2 15 B7R0.1 CCCSSCCC SSP [1,0,0,0,0,0|2,0,1]=4 16 B7R0.1 COCCOCCO PG0 [1,0,0,0,0,0|2,0,1]=4 17 B9R0.2 C(CCCN)CCC(=O)O 011 [0,1,0,0,0,0|1,0,0]=2 18 B9R0.2 C(CCNCC(=O)O)CN NLY [0,1,0,0,0,0|2,0,0]=3 19 B9R0.2 CCCCCCCC(=O)O OCA [0,1,0,0,0,0|0,0,0]=1 20 B9R0.2 C[S@@](=O)CCCCNC=S LE3 [0,1,0,0,0,0|2,1,0]=4 21 B9R0.5 C(CSC(=O)CC[S-])C=O OPS [0,1,0,0,0,0|2,0,1]=4 22 B9R0.5 CCCCC[C@@H](C)NC=O NMH [0,1,0,0,0,0|1,0,0]=2 23 B9R0.45 C(CCCCN)CCCN DIA [0,1,0,0,0,0|1,0,1]=3 24 B9R0.45 C(CCCCO)CCCO ODI [0,1,0,0,0,0|0,0,2]=3 25 B9R0.45 C(CCNCCCN)CN SPD [0,1,0,0,0,0|2,0,1]=4 26 B9R0.45 CCCCCCCCCC D10 [0,1,0,0,0,0|1,0,1]=3 27 B9R0.45 CCCCCCCCCO F09 [0,1,0,0,0,0|0,0,2]=3 28 B9R0.45 CCCCCCCNC=O HPL [0,1,0,0,0,0|0,0,0]=1 29 B9R0.45 CCCCCONCC=O AOP [0,1,0,0,0,0|1,0,0]=2 30 B9R0.45 CCOCCOCCOC ME2 [0,1,0,0,0,0|3,0,0]=4 31 B9R0.46 CCCSSC[C@@H](C=O)N PR3 [0,1,0,0,0,0|2,0,0]=3 32 B9R1.8 C1CCC(CC1)NC=O CXF [0,0,0,1,0,0|1,0,0]=2 33 B9R1.8 C1CCC(CC1)[NH2][Pt+2][NH3] LPT [0,0,0,1,0,0|3,0,0]=4 34 B9R1.8 CCO[C@@H]1CCC=CO1 JZ7 [0,0,0,1,0,0|1,0,2]=4 35 B9R1.12 COCC[C@@H]1CCCN1 49F [0,0,0,1,0,0|2,0,1]=4 36 B6R0.6 C(CC=N)CC=O ARN [2,0,0,0,0,0|1,0,1]=4 37 B6R0.6 C(CC=O)CC=O PTD [2,0,0,0,0,0|1,0,1]=4 38 B6R0.6 C(CCN)CCN N2P [2,0,0,0,0,0|2,0,0]=4 39 B6R0.6 C(CCO)CC=O GAQ [2,0,0,0,0,0|1,0,0]=3 40 B6R0.6 C(COCC=O)O 1KA [2,0,0,0,0,0|2,0,0]=4 41 B6R0.6 CCCCCCC HP6 [2,0,0,0,0,0|0,0,0]=2 42 B6R0.6 CCCCCCO HE2 [2,0,0,0,0,0|0,0,1]=3 43 B6R0.6 CCCCNC=O YIV [2,0,0,0,0,0|1,0,0]=3 44 B6R0.6 CCCSCCO 266 [2,0,0,0,0,0|1,0,1]=4 45 B8R0.6 C(CCN)C[C@@H](CO)N LYJ [1,1,0,0,0,0|1,0,1]=4 46 B8R0.6 C(CCN)C[C@@H]([C-]=O)[NH-] LYS_LL_DHZ3 [1,1,0,0,0,0|1,0,1]=4 47 B8R0.6 C(CCN)C[C@@H]([C-]=O)[NH3+] LYS_LSN3_DHZ3 [1,1,0,0,0,0|1,0,1]=4 48 B8R0.6 C(CC[NH3+])C[C@@H]([C-]=O)[NH-] LYS_LL [1,1,0,0,0,0|1,0,1]=4 49 B8R0.6 C(CC[NH3+])C[C@@H]([C-]=O)[NH3+] LYS_LSN3 [1,1,0,0,0,0|1,0,1]=4 50 B8R0.6 CCCCC[C@@H](C=C)O 3OM [1,1,0,0,0,0|0,0,1]=3 51 B8R0.6 CCCCC[C@H](C=C)O 3OL [1,1,0,0,0,0|0,0,1]=3 52 B8R0.7 C(CCC(=O)O)CCN ACA [1,1,0,0,0,0|1,0,0]=3 53 B8R0.7 C(CCC(=O)O)CCN AHA [1,1,0,0,0,0|1,0,0]=3 54 B8R0.7 CC(C)CCCCCO MHN [1,1,0,0,0,0|0,0,1]=3 55 B8R0.7 CCCCCCC(=O)N HPN [1,1,0,0,0,0|0,0,0]=2 56 B8R0.7 CCCCCCC(=O)O SHV [1,1,0,0,0,0|0,0,0]=2 57 B8R0.7 CCCCCC[N+](=O)[O-] N6C [1,1,0,0,0,0|1,0,0]=3 58 B10R0.4 C(CCCC(=O)O)CCCN 8AC [0,2,0,0,0,0|0,0,0]=2 59 B10R0.4 C(CCCNC(=O)O)CCN CMY [0,2,0,0,0,0|1,0,0]=3 60 B10R0.4 C(COCCOCC(=O)O)O TEG [0,2,0,0,0,0|2,0,0]=4 61 B10R0.4 CCCCCCCCC(=O)O KNA [0,2,0,0,0,0|0,0,0]=2 62 B10R0.4 CCCCCCCC[N+](=O)[O-] N8C [0,2,0,0,0,0|0,0,1]=3 63 B10R0.6 C(CCN)C[C@@H](CC(=O)O)N B3K [0,2,0,0,0,0|1,0,0]=3 64 B10R0.6 CCCCCC(=O)CC(=O)O OOA [0,2,0,0,0,0|0,0,1]=3 65 B10R0.6 CCCCC[C@@H](CC(=O)O)O 3HO [0,2,0,0,0,0|0,0,0]=2 66 B10R0.55 CC[C@H](C)CCCCC(=O)O 6FH [0,2,0,0,0,0|0,0,0]=2 67 B10R0.74 C(CCCN)CCC(=O)NO 7XA [0,2,0,0,0,0|1,0,0]=3 68 B10R0.75 C(CO)COC[C@@H](C(=O)O)N SRZ [0,2,0,0,0,0|2,0,0]=4 69 B10R0.75 C(COCCN)[C@@H](C(=O)O)N AVG [0,2,0,0,0,0|2,0,0]=4 70 B10R0.75 C=CCCCC[C@@H](C(=O)O)N 1X0 [0,2,0,0,0,0|0,0,2]=4 71 B10R0.75 CCCCCC[C@@H](C(=O)O)O HOC [0,2,0,0,0,0|0,0,0]=2 72 B10R0.75 CCCCOC[C@@H](C(=O)O)N 73C [0,2,0,0,0,0|1,0,0]=3 73 B10R0.75 CNCCCC[C@@H](C(=O)O)N MLZ [0,2,0,0,0,0|1,0,0]=3 74 B10R0.97 C(CCC(=O)O)CCC(=O)O PML [0,2,0,0,0,0|1,0,1]=4 75 B10R0.1 CCCCCC[C@@H](C)NC=O FXY [0,2,0,0,0,0|0,0,0]=2 76 B10R0.91 CCCCC[C@@H](CCCO)O HND [0,2,0,0,0,0|0,0,2]=4 77 B10R0.91 CCCCC[C@H](C=CC=O)O HNE [0,2,0,0,0,0|0,0,1]=3 78 B10R0.71 C(CCNCCCCN)CN 37Z [0,2,0,0,0,0|1,0,1]=4 79 B10R0.71 C(CCNCCCN)CCS SS9 [0,2,0,0,0,0|0,1,1]=4 80 B10R0.71 CCCCCCCCCCC UND [0,2,0,0,0,0|1,0,1]=4 81 B10R0.71 CCCCCCCCCCO DE1 [0,2,0,0,0,0|0,0,2]=4 82 B10R0.71 CCCCCCCCCCS D1T [0,2,0,0,0,0|0,1,1]=4 83 B10R0.71 CCCCCNCCCCC DIP [0,2,0,0,0,0|1,0,1]=4 84 B8R1.2 C1CCC(CC1)C[NH3+] AMC [1,0,0,1,0,0|1,0,0]=3 85 B8R1.2 C1CCN(CC1)C=O FPI [1,0,0,1,0,0|1,0,0]=3 86 B8R1.2 C1CN(CCN1)C=O 1FP [1,0,0,1,0,0|2,0,0]=4 87 B8R1.2 CCC1CCNCC1 EPI [1,0,0,1,0,0|1,0,1]=4 88 B8R1.2 CC[C@H]1CCCCN1 2EP [1,0,0,1,0,0|1,0,0]=3 89 B8R1.2 [C-]#[N+]C1CCCCC1 CYI [1,0,0,1,0,0|1,0,1]=4 90 B8R1.5 C1CCC(=O)C(=O)C1 CXO [1,0,0,1,0,0|1,0,1]=4 91 B8R1.5 C1CC[C@@H]([C@H](C1)O)O 3ZQ [1,0,0,1,0,0|1,0,1]=4 92 B8R1.5 C1CC[C@H]([C@@H](C1)N)N DNH [1,0,0,1,0,0|2,0,0]=4 93 B8R1.5 C1CC[C@H]([C@@H](C1)O)O 40O [1,0,0,1,0,0|1,0,1]=4 94 B8R1.5 C1C[C@@H](C(=O)NC1)O XDL [1,0,0,1,0,0|2,0,0]=4 95 B8R1.5 C[C@H]1CCCC[C@@H]1O 4DX [1,0,0,1,0,0|0,0,1]=3 96 B8R1.22 C1CCC(=O)NCC1 ICC [1,0,0,1,0,0|1,0,0]=3 97 B8R1.22 C1CCC(=O)OCC1 ECE [1,0,0,1,0,0|1,0,0]=3 98 B8R1.22 C1CCCC(CC1)N SZ1 [1,0,0,1,0,0|1,0,0]=3 99 B10R1.16 CCCC[C@H]1CC[S@](=O)C1 SSB [0,1,0,1,0,0|1,0,0]=3 100 B10R1.18 C1CCC(CC1)NC(=O)O OHO [0,1,0,1,0,0|1,0,0]=3 101 B10R1.18 C1COCCN1CC(=O)O 00E [0,1,0,1,0,0|2,0,0]=4 102 B10R1.66 C1CCC(C1)CCC(=O)O 3PA [0,1,0,1,0,0|0,0,0]=2 103 B10R1.66 C1CCC(C1)NCC(=O)O 021 [0,1,0,1,0,0|1,0,0]=3 104 B10R1.66 C1CCC(C1)OCC(=O)O 01Y [0,1,0,1,0,0|1,0,0]=3 105 B10R1.21 CNCCCC1CCCC1 DIX [0,1,0,1,0,0|1,0,1]=4 106 B10R1.17 CCCC[C@@H]1CCCNC1 DIY [0,1,0,1,0,0|1,0,1]=4