0 B8R0.6 C(CCN)CC(=O)NO 5XA [0,0,0,0,0,0|3,0,0]=3 1 B8R0.6 C(CCN)C[C@@H](CO)N LYJ [0,0,0,0,0,0|3,0,1]=4 2 B8R0.6 CCCCC[C@@H](C=C)O 3OM [0,0,0,0,0,0|0,0,4]=4 3 B8R0.6 CCCCC[C@H](C=C)O 3OL [0,0,0,0,0,0|0,0,4]=4 4 B8R0.6 CCCCNC(=N)NO BHH [0,0,0,0,0,0|4,0,0]=4 5 B7R0.1 C(CCCBr)CCO BHL [1,0,0,0,0,0|2,0,1]=4 6 B7R0.1 C(CCCN)CCN 16D [1,0,0,0,0,0|2,0,1]=4 7 B7R0.1 C(CCCO)CCN 6AH [1,0,0,0,0,0|2,0,1]=4 8 B7R0.1 C(CCCO)CCO HEZ [1,0,0,0,0,0|2,0,1]=4 9 B7R0.1 CCCCCCC#N CNX [1,0,0,0,0,0|1,0,2]=4 10 B7R0.1 CCCCCCCC OCT [1,0,0,0,0,0|0,0,1]=2 11 B7R0.1 CCCCCCCO HE4 [1,0,0,0,0,0|1,0,1]=3 12 B7R0.1 CCCSSCCC SSP [1,0,0,0,0,0|2,0,1]=4 13 B7R0.3 CCCC[C@@H](CO)N 2AO [1,0,0,0,0,0|2,0,1]=4 14 B7R0.3 CCCC[C@@H](CO)O 0RE [1,0,0,0,0,0|1,0,2]=4 15 B7R0.3 CCCC[C@H](CO)O 7FB [1,0,0,0,0,0|1,0,2]=4 16 B7R0.3 COC(=O)CCCN GVE [1,0,0,0,0,0|2,0,0]=3 17 B7R0.4 C(CCO)CC(=O)O SHO [1,0,0,0,0,0|2,0,0]=3 18 B7R0.4 C(CC[NH3+])CC(=O)O DAV [1,0,0,0,0,0|2,0,0]=3 19 B7R0.4 C(COCC(=O)O)O VKC [1,0,0,0,0,0|3,0,0]=4 20 B7R0.4 C(CSCC(=O)O)N ESD [1,0,0,0,0,0|3,0,0]=4 21 B7R0.4 CCCCCC(=O)C HTX [1,0,0,0,0,0|0,0,0]=1 22 B7R0.4 CCCCCC(=O)O 6NA [1,0,0,0,0,0|1,0,0]=2 23 B7R0.4 CCCCOC(=O)C 8JZ [1,0,0,0,0,0|1,0,0]=2 24 B7R0.4 CCOCC[P@H](=O)[O-] BR5 [1,0,0,0,0,0|3,0,0]=4 25 B9R0.5 C(CSC(=O)CC[S-])C=O OPS [0,1,0,0,0,0|2,0,1]=4 26 B9R0.8 CCCC[C@@H](C(=O)OC)N NLO [0,1,0,0,0,0|1,0,0]=2 27 B9R0.8 CCCC[C@@H]([C@@H](CO)O)O HT3 [0,1,0,0,0,0|1,0,2]=4 28 B9R0.8 CCCC[C@H]([C@@H](CO)O)O HTO [0,1,0,0,0,0|1,0,2]=4 29 B9R0.8 CCCC[C@H]([C@H](CO)O)O HTH [0,1,0,0,0,0|1,0,2]=4 30 B9R0.46 C(CCC(=O)NO)CCN 6XA [0,1,0,0,0,0|2,0,0]=3 31 B9R0.47 CCCCNC(=O)[C@H](C)N UM2 [0,1,0,0,0,0|1,0,0]=2 32 B9R1.1 C1CC(CCC1CN)N CHN [0,0,0,1,0,0|2,0,1]=4 33 B9R1.1 C1CC(CCC1CO)O HB0 [0,0,0,1,0,0|1,0,2]=4 34 B9R1.3 CC1C(=O)CCCC1=O 70V [0,0,0,1,0,0|1,0,1]=3 35 B9R1.3 C[C@H]1CCC[C@H]([C@@H]1O)O Q6Z [0,0,0,1,0,0|1,0,2]=4 36 B9R1.11 CNC(=O)[C@@H]1CCCN1 9PR [0,0,0,1,0,0|2,0,0]=3 37 B9R1.11 COC(=O)[C@@H]1CCCN1 PLJ [0,0,0,1,0,0|2,0,0]=3 38 B9R1.11 COC(=O)[C@H]1CCCN1 PDW [0,0,0,1,0,0|2,0,0]=3 39 B6R0.6 C(CC=N)CC=O ARN [2,0,0,0,0,0|1,0,1]=4 40 B6R0.6 C(CC=O)CC=O PTD [2,0,0,0,0,0|1,0,1]=4 41 B6R0.6 C(CCN)CCN N2P [2,0,0,0,0,0|2,0,0]=4 42 B6R0.6 C(CCO)CC=O GAQ [2,0,0,0,0,0|1,0,0]=3 43 B6R0.6 C(COCC=O)O 1KA [2,0,0,0,0,0|2,0,0]=4 44 B6R0.6 CCCCCCC HP6 [2,0,0,0,0,0|0,0,0]=2 45 B6R0.6 CCCCCCO HE2 [2,0,0,0,0,0|1,0,0]=3 46 B6R0.6 CCCCNC=O YIV [2,0,0,0,0,0|1,0,0]=3 47 B6R0.6 CCCSCCO 266 [2,0,0,0,0,0|2,0,0]=4 48 B6R0.1 CCC(=O)OCC CA1 [2,0,0,0,0,0|1,0,0]=3 49 B6R0.1 CCNC(=O)OC MEC [2,0,0,0,0,0|2,0,0]=4 50 B6R0.1 CCOC(=O)CN GEE [2,0,0,0,0,0|2,0,0]=4 51 B6R0.1 CCOC(=O)NC EMB [2,0,0,0,0,0|2,0,0]=4 52 B6R0.4 C(CC(=O)O)CBr 0A5 [2,0,0,0,0,0|2,0,0]=4 53 B6R0.4 C(CC(=O)O)CN ABU [2,0,0,0,0,0|2,0,0]=4 54 B6R0.4 CCCCC(=O)O LEA [2,0,0,0,0,0|1,0,0]=3 55 B6R0.4 CCCCC(=O)O PEI [2,0,0,0,0,0|1,0,0]=3 56 B6R0.4 CCCOC(=O)C 4PA [2,0,0,0,0,0|1,0,0]=3 57 B6R0.4 CCNCC(=O)O 2JC [2,0,0,0,0,0|2,0,0]=4 58 B8R0.4 C(CCNCCN)CN P24 [1,1,0,0,0,0|2,0,0]=4 59 B8R0.4 CCCCCCCC=O OYA [1,1,0,0,0,0|0,0,2]=4 60 B8R0.4 CCCCCCCCC DD9 [1,1,0,0,0,0|0,0,1]=3 61 B8R0.4 CCCCCCCCO OC9 [1,1,0,0,0,0|0,0,1]=3 62 B8R0.4 CCOCCOCCO AE3 [1,1,0,0,0,0|2,0,0]=4 63 B8R0.7 CC(C)CCCCCO MHN [1,1,0,0,0,0|1,0,1]=4 64 B8R0.11 CCCC[C@H](CC)CO 2EH [1,1,0,0,0,0|0,0,2]=4 65 B8R0.5 CCOC(=O)CC(=O)C EAC [1,1,0,0,0,0|1,0,1]=4 66 B8R0.21 CCCCO[P@@](=O)(C)O CVX [1,1,0,0,0,0|2,0,0]=4 67 B8R0.28 CC(=CCCC(=O)C)C 0VT [1,1,0,0,0,0|0,0,2]=4 68 B8R0.28 CC(=O)CCCC(=O)O 4AT [1,1,0,0,0,0|1,0,1]=4 69 B8R0.28 CC(C)CNCC(=O)O I4G [1,1,0,0,0,0|2,0,0]=4 70 B10R0.3 COCC(=O)CCCC(O)O M1T [0,2,0,0,0,0|1,0,0]=3 71 B10R0.82 CN(C)C(=O)CC[C@@H](CO)N 1HB [0,2,0,0,0,0|2,0,0]=4 72 B10R0.2 CCOC(=O)C[C@@H](CC#N)O 1H1 [0,2,0,0,0,0|1,0,1]=4 73 B10R0.6 CCCCCC(=O)CC(=O)O OOA [0,2,0,0,0,0|0,0,1]=3 74 B10R0.91 CCCCC[C@@H](CCCO)O HND [0,2,0,0,0,0|0,0,2]=4 75 B10R0.62 CCCCCC[P@@](=O)(O)OC MHH [0,2,0,0,0,0|2,0,0]=4 76 B10R0.74 C(CCCN)CCC(=O)NO 7XA [0,2,0,0,0,0|2,0,0]=4 77 B10R0.75 CCCCCNC(=O)[C@H](C)N 5FQ [0,2,0,0,0,0|0,0,0]=2 78 B8R1.2 C1CCC(CC1)C[NH3+] AMC [1,0,0,1,0,0|1,0,1]=4 79 B8R1.2 CCC1CCNCC1 EPI [1,0,0,1,0,0|1,0,0]=3 80 B8R1.2 CCN1CCOCC1 6LB [1,0,0,1,0,0|2,0,0]=4 81 B8R1.2 CC[C@H]1CCCCN1 2EP [1,0,0,1,0,0|1,0,1]=4 82 B8R1.5 C[C@H]1CCCC[C@@H]1O 4DX [1,0,0,1,0,0|1,0,1]=4 83 B8R1.22 C1CCCC(CC1)N SZ1 [1,0,0,1,0,0|1,0,1]=4 84 B8R1.3 CC1CCC(CC1)N 2MH [1,0,0,1,0,0|1,0,1]=4 85 B8R1.3 CC1CCC(CC1)N 4JU [1,0,0,1,0,0|1,0,1]=4 86 B8R1.7 C1CCC(C1)C(=O)O IQ0 [1,0,0,1,0,0|1,0,0]=3 87 B8R1.7 C1C[C@@H](NC1)C(=O)N PR9 [1,0,0,1,0,0|2,0,0]=4 88 B8R1.7 C1C[C@@H](NC1)C(=O)O DPR [1,0,0,1,0,0|2,0,0]=4 89 B8R1.7 C1C[C@H](NC1)C(=O)N LPD [1,0,0,1,0,0|2,0,0]=4 90 B8R1.7 C1C[C@H](NC1)C(=O)O PRO [1,0,0,1,0,0|2,0,0]=4 91 B8R1.7 C1C[C@H](NC1)C(=O)O PRO_LFOH [1,0,0,1,0,0|2,0,0]=4 92 B8R1.7 C1C[C@H](OC1)C(=O)O TFB [1,0,0,1,0,0|2,0,0]=4 93 B8R1.7 C1C[C@H]([N-]C1)C(=O)O PRO_LEO2H [1,0,0,1,0,0|2,0,0]=4 94 B8R1.7 C1C[C@H]([N-]C1)C(=O)[O-] PRO_LEO2 [1,0,0,1,0,0|2,0,0]=4 95 B8R1.7 C1C[C@H]([NH2+]C1)C(=O)[O-] PRO_LFZW [1,0,0,1,0,0|2,0,0]=4 96 B8R1.7 N=C(/C1CCCC1)\N 273 [1,0,0,1,0,0|2,0,0]=4 97 B10R1.16 CCCC[C@H]1CC[S@](=O)C1 SSB [0,1,0,1,0,0|1,0,0]=3