0 B8R0.23 CC(C)C[C@H](N)C(=O)O 04-1892 [0,0,0,0,0,0|2,0,1]=3 1 B8R0.23 CC(C)C[C@H](N)C(=O)O BIO-234 [0,0,0,0,0,0|2,0,1]=3 2 B8R0.23 CC(C)C[C@H](N)C(N)=O 04-1898 [0,0,0,0,0,0|2,0,1]=3 3 B8R0.23 CC(C)C[C@H](N)C(N)=O 20-3200 [0,0,0,0,0,0|2,0,1]=3 4 B8R0.23 CC(C)C[C@H](N)C(N)=O 22-401 [0,0,0,0,0,0|2,0,1]=3 5 B8R0.23 O=C(O)CC(=O)C(=O)O BIO-923 [0,0,0,0,0,0|3,0,1]=4 6 B7R0.5 CCC[C@H](C)C(=O)O CS-800 [1,0,0,0,0,0|2,0,1]=4 7 B7R0.5 CCC[C@H](N)C(=O)O 021880 [1,0,0,0,0,0|2,0,1]=4 8 B7R0.5 CCC[C@H](N)C(=O)O 04-2202 [1,0,0,0,0,0|2,0,1]=4 9 B7R0.5 CCC[C@H](N)C(N)=O 04-2207 [1,0,0,0,0,0|2,0,1]=4 10 B7R0.5 CCOC(=O)[C@H](C)F 26-799 [1,0,0,0,0,0|2,0,1]=4 11 B7R0.5 CCOC(=O)[C@H](C)N 04-132 [1,0,0,0,0,0|2,0,1]=4 12 B7R0.6 CC(=O)OCC(C)C 025143S [1,0,0,0,0,0|1,0,0]=2 13 B7R0.6 CC(=O)OCC(F)F 26-661 [1,0,0,0,0,0|3,0,0]=4 14 B9R0.11 CC(C)C[C@](C)(N)C(=O)O 04-279 [0,1,0,0,0,0|2,0,1]=4 15 B9R0.23 COC(=O)[C@@H](N)CC(C)C 04-1916 [0,1,0,0,0,0|1,0,1]=3 16 B9R0.23 COC(=O)[C@@H](N)CC(C)C 20-1854 [0,1,0,0,0,0|1,0,1]=3 17 B9R0.57 C[C@H](N)C(=O)OC(C)(C)C 04-128 [0,1,0,0,0,0|2,0,1]=4 18 B9R0.57 C[C@H](N)C(=O)OC(C)(C)C 04-129 [0,1,0,0,0,0|2,0,1]=4 19 B9R1.35 CC(=O)N1CC[C@H](O)C1 08-6360 [0,0,0,1,0,0|3,0,0]=4 20 B9R1.69 CN1CC[C@H](N)CC1=O 08-4570 [0,0,0,1,0,0|3,0,0]=4 21 B9R1.69 CN1C[C@@H](N)CCC1=O 08-4611 [0,0,0,1,0,0|3,0,0]=4 22 B9R1.164 CC1(C)C=C(C(=O)O)C1 08-7131 [0,0,0,1,0,0|2,0,0]=3 23 B7R0.16 CC(C)[C@H](N)C(=O)O 04-2664 [0,0,0,0,1,0|2,0,1]=4 24 B7R0.16 CC(C)[C@H](N)C(=O)O BIO-433 [0,0,0,0,1,0|2,0,1]=4 25 B7R0.16 CC(C)[C@H](N)C(N)=O 04-2669 [0,0,0,0,1,0|2,0,1]=4 26 B7R0.16 CC(C)[C@H](N)C(N)=O 04-2670 [0,0,0,0,1,0|2,0,1]=4 27 B6R0.1 CCCC(=O)OC 20-0400 [2,0,0,0,0,0|1,0,0]=3 28 B6R0.1 CNCC(=O)OC 04-2425 [2,0,0,0,0,0|2,0,0]=4 29 B6R0.2 CC(C)CC(=O)O 022864S [2,0,0,0,0,0|0,0,1]=3 30 B6R0.2 C[C@H](O)CC(=O)O 021350 [2,0,0,0,0,0|1,0,1]=4 31 B6R0.4 CCCCC(=O)O 025124 [2,0,0,0,0,0|1,0,1]=4 32 B6R0.4 CCCCC(=O)O 71-0509 [2,0,0,0,0,0|1,0,1]=4 33 B6R0.3 CCC(=O)C(=O)O BIO-852 [2,0,0,0,0,0|1,0,0]=3 34 B8R0.2 COC(=O)[C@@H](N)C(C)C 04-2682 [1,1,0,0,0,0|1,0,0]=3 35 B8R0.2 COC(=O)[C@@H](N)C(C)C 20-1890 [1,1,0,0,0,0|1,0,0]=3 36 B8R0.2 COC(=O)[C@@H](N)C(C)C 22-1811 [1,1,0,0,0,0|1,0,0]=3 37 B8R0.2 COC(=O)[C@@H](N)[C@@H](C)O 04-2506 [1,1,0,0,0,0|2,0,0]=4 38 B8R0.5 CCOC(=O)CC(C)C 023335S [1,1,0,0,0,0|0,0,1]=3 39 B8R0.19 CCC(=O)C[C@@H](C)CC 025226S [1,1,0,0,0,0|0,0,1]=3 40 B8R0.24 CNC(=O)OC(C)(C)C 08-1841 [1,1,0,0,0,0|2,0,0]=4 41 B8R0.3 C=C(CBr)C(=O)OCC 08-10346 [1,1,0,0,0,0|2,0,0]=4 42 B8R0.3 CCCC(=O)[C@@H](N)CO 56-1313 [1,1,0,0,0,0|1,0,1]=4 43 B8R0.3 CCC[C@H](N)C(=O)OC 04-2209 [1,1,0,0,0,0|1,0,1]=4 44 B8R0.3 CCOC(=O)C(=O)CBr 08-1104 [1,1,0,0,0,0|1,0,0]=3 45 B8R0.8 C=C(C)C(=O)OCCF 26-912 [1,1,0,0,0,0|2,0,0]=4 46 B10R0.32 CCOC(=O)[C@@H](N)CC(C)C 04-1907 [0,2,0,0,0,0|1,0,1]=4 47 B10R0.32 CCOC(=O)[C@@H](N)CC(C)C 19-2838 [0,2,0,0,0,0|1,0,1]=4 48 B8R1.4 C[C@H]1CC(=O)CCN1 08-7732 [1,0,0,1,0,0|1,0,1]=4 49 B8R1.4 N[C@H]1CCNC(=O)C1 08-4549 [1,0,0,1,0,0|2,0,0]=4 50 B8R1.51 CC1(C)COC(=O)N1 08-5111 [1,0,0,1,0,0|2,0,0]=4 51 B8R1.5 O=C1CCCC=C1Br 08-1639 [1,0,0,1,0,0|1,0,1]=4 52 B8R1.3 N[C@H]1CCC(=O)NC1 08-4610 [1,0,0,1,0,0|2,0,0]=4 53 B10R1.59 CC(C)[C@@H]1NC(=O)OC1=O 19-1583 [0,0,0,1,0,1|1,0,0]=3 54 B10R1.59 CC(C)[C@@H]1NC(=O)OC1=O 19-1671 [0,0,0,1,0,1|1,0,0]=3 55 B10R1.176 CN1CC[C@H](CN)CC1=O 08-4569 [0,1,0,1,0,0|2,0,0]=4 56 B10R1.176 CN1CC[C@H](CO)CC1=O 08-5299 [0,1,0,1,0,0|2,0,0]=4