0 B8R0.23 C=C(NC(C)=O)C(=O)O BIO-461 [0,0,0,0,0,0|2,0,2]=4 1 B8R0.23 CC(=O)N[C@@H](C)C(=O)O 04-015 [0,0,0,0,0,0|2,0,2]=4 2 B8R0.23 CC(=O)N[C@@H](C)C(=O)O 04-016 [0,0,0,0,0,0|2,0,2]=4 3 B8R0.23 CC(=O)N[C@@H](C)C(=O)O BIO-475 [0,0,0,0,0,0|2,0,2]=4 4 B8R0.23 CC(C)C[C@H](N)C(=O)O 04-1892 [0,0,0,0,0,0|1,0,2]=3 5 B8R0.23 CC(C)C[C@H](N)C(=O)O BIO-234 [0,0,0,0,0,0|1,0,2]=3 6 B8R0.23 CC(C)C[C@H](N)C(N)=O 04-1898 [0,0,0,0,0,0|2,0,2]=4 7 B8R0.23 CC(C)C[C@H](N)C(N)=O 20-3200 [0,0,0,0,0,0|2,0,2]=4 8 B8R0.23 CC(C)C[C@H](N)C(N)=O 22-401 [0,0,0,0,0,0|2,0,2]=4 9 B7R0.5 CCC[C@H](C)C(=O)O CS-800 [1,0,0,0,0,0|0,0,2]=3 10 B7R0.5 CCC[C@H](N)C(=O)O 021880 [1,0,0,0,0,0|1,0,2]=4 11 B7R0.5 CCC[C@H](N)C(=O)O 04-2202 [1,0,0,0,0,0|1,0,2]=4 12 B7R0.6 CC(=O)OCC(C)C 025143S [1,0,0,0,0,0|2,0,1]=4 13 B7R0.6 CN(C)\C=C\[N+](=O)[O-] 08-3142 [1,0,0,0,0,0|2,0,1]=4 14 B7R0.6 O=C(O)\C=C/C(=O)O 022104 [1,0,0,0,0,0|2,0,1]=4 15 B7R0.6 O=C(O)\C=C\C(=O)O 020723 [1,0,0,0,0,0|2,0,1]=4 16 B9R0.11 CC(C)C[C@](C)(N)C(=O)O 04-279 [0,1,0,0,0,0|0,0,2]=3 17 B9R0.23 COC(=O)[C@@H](N)CC(C)C 04-1916 [0,1,0,0,0,0|1,0,2]=4 18 B9R0.23 COC(=O)[C@@H](N)CC(C)C 20-1854 [0,1,0,0,0,0|1,0,2]=4 19 B9R1.35 CC1=CC(C(=O)O)=CS1 08-4020 [0,0,0,1,0,0|1,0,2]=4 20 B9R1.35 CC1=CC(C(=O)O)=NN1 08-7701 [0,0,0,1,0,0|2,0,1]=4 21 B9R1.35 CN1C=C(C(=O)O)C=N1 08-4460 [0,0,0,1,0,0|2,0,1]=4 22 B9R1.35 CN1CC[C@H](C(=O)O)C1 08-7670 [0,0,0,1,0,0|1,0,2]=4 23 B9R1.69 CC1=CC(C)=C(O)C=C1 026219S [0,0,0,1,0,0|1,0,2]=4 24 B9R1.164 CC1(C)C=C(C(=O)O)C1 08-7131 [0,0,0,1,0,0|0,0,0]=1 25 B7R0.16 CC(C)[C@H](N)C(=O)O 04-2664 [0,0,0,0,1,0|1,0,1]=3 26 B7R0.16 CC(C)[C@H](N)C(=O)O BIO-433 [0,0,0,0,1,0|1,0,1]=3 27 B7R0.16 CC(C)[C@H](N)C(N)=O 04-2669 [0,0,0,0,1,0|2,0,1]=4 28 B7R0.16 CC(C)[C@H](N)C(N)=O 04-2670 [0,0,0,0,1,0|2,0,1]=4 29 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O 022308 [0,0,0,0,1,0|2,0,1]=4 30 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O 023234 [0,0,0,0,1,0|2,0,1]=4 31 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O 025644 [0,0,0,0,1,0|2,0,1]=4 32 B7R0.16 C[C@H](O)[C@H](N)C(=O)O BIO-965 [0,0,0,0,1,0|2,0,1]=4 33 B6R0.2 CC(C)CC(=O)O 022864S [2,0,0,0,0,0|1,0,1]=4 34 B6R0.4 CCCCC(=O)O 025124 [2,0,0,0,0,0|0,0,2]=4 35 B6R0.4 CCCCC(=O)O 71-0509 [2,0,0,0,0,0|0,0,2]=4 36 B6R0.3 CCC(=O)C(=O)O BIO-852 [2,0,0,0,0,0|1,0,0]=3 37 B6R0.3 CC[C@H](N)C(=O)O 04-246 [2,0,0,0,0,0|1,0,1]=4 38 B6R0.3 CC[C@H](N)C(=O)O 04-247 [2,0,0,0,0,0|1,0,1]=4 39 B6R0.3 CN[C@@H](C)C(=O)O 04-2116 [2,0,0,0,0,0|1,0,1]=4 40 B6R0.3 C\C=C(/C)C(=O)O 020772 [2,0,0,0,0,0|0,0,0]=2 41 B6R0.3 C\C=C(\C)C(=O)O 06-231 [2,0,0,0,0,0|0,0,0]=2 42 B8R0.29 CC(C)(C)\C=C\B(O)O 08-1081 [1,1,0,0,0,0|1,0,1]=4 43 B8R0.29 O=C(O)\C=C\C(F)(F)F 27-281 [1,1,0,0,0,0|2,0,0]=4 44 B8R0.18 CN[C@H](C(=O)O)C(C)C 04-2144 [0,1,0,0,1,0|0,0,1]=3 45 B8R0.27 CC(C)(C)[C@H](N)C(=O)O 04-1893 [0,1,0,0,1,0|1,0,1]=4 46 B10R0.93 CC(N)C(=O)NC(C)C(=O)O 04-163 [0,1,0,0,0,1|1,0,1]=4 47 B10R0.93 C[C@H](N)C(=O)N[C@@H](C)C(=O)O 04-167 [0,1,0,0,0,1|1,0,1]=4 48 B10R0.93 C[C@H](NC(=O)[C@@H](C)N)C(=O)O 04-164 [0,1,0,0,0,1|1,0,1]=4 49 B8R1.5 O=C1CCCC=C1Br 08-1639 [1,0,0,1,0,0|2,0,0]=4 50 B8R1.7 O=C(O)C1=COCC1 08-7224 [1,0,0,1,0,0|1,0,0]=3 51 B8R1.7 O=C(O)[C@@H]1CCCN1 020707 [1,0,0,1,0,0|1,0,1]=4 52 B8R1.7 O=C(O)[C@@H]1CCCN1 025642 [1,0,0,1,0,0|1,0,1]=4 53 B8R1.7 O=C(O)[C@@H]1CCCN1 BIO-410 [1,0,0,1,0,0|1,0,1]=4 54 B10R1.14 COC(=O)C1=CC(=O)CC1 08-10045 [0,1,0,1,0,0|1,0,1]=4