0 B8R0.23 CC(C)CC(=O)C(C)C 5375AL [0,0,0,0,0,0|1,0,1]=2 1 B8R0.23 CN(C)C[C@H](N)C(=O)O Q375 [0,0,0,0,0,0|3,0,1]=4 2 B7R0.2 CN(C)C=C(Br)C=O 0627AQ [1,0,0,0,0,0|2,0,1]=4 3 B7R0.2 CN(C)C=C(I)C=O 1090AQ [1,0,0,0,0,0|2,0,1]=4 4 B7R0.2 CNC(=O)CC(C)N 5418AE [1,0,0,0,0,0|2,0,0]=3 5 B7R0.2 COC(=O)CC(C)N TMBA004 [1,0,0,0,0,0|2,0,0]=3 6 B7R0.5 CCCC(C)C(C)=O 2081AB [1,0,0,0,0,0|1,0,1]=3 7 B7R0.5 CCC[C@H](Cl)C(=O)O Z6042 [1,0,0,0,0,0|2,0,1]=4 8 B7R0.6 CC(C)=CCC(C)C 5373AL [1,0,0,0,0,0|1,0,0]=2 9 B7R0.6 CC(C)CNC(C)C 2335AE [1,0,0,0,0,0|2,0,1]=4 10 B9R0.23 COC(=O)C(C)CN(C)C 0550AA [0,1,0,0,0,0|2,0,1]=4 11 B9R0.39 CC(C)C[C@@H](CN)C(=O)O 5356AA [0,1,0,0,0,0|2,0,1]=4 12 B9R0.39 CC(C)C[C@H](CN)C(=O)O 5990AA [0,1,0,0,0,0|2,0,1]=4 13 B9R0.39 CN[C@H](CC(C)C)C(=O)O 0550AP [0,1,0,0,0,0|2,0,1]=4 14 B9R0.79 CC(C)C(=O)C(O)C(C)C 2735AL [0,1,0,0,0,0|1,0,1]=3 15 B9R0.79 CC(C)[C@@H](O)[C@H](N)C(=O)O Q391 [0,1,0,0,0,0|2,0,1]=4 16 B9R0.79 CC(C)[C@H](O)[C@H](N)C(=O)O Z3806 [0,1,0,0,0,0|2,0,1]=4 17 B9R1.35 CC(=O)N1CCC(N)C1 Z2206 [0,0,0,1,0,0|3,0,0]=4 18 B9R1.38 CC1CC(=O)C(C)(C)C1 5090AL [0,0,0,1,0,0|1,0,1]=3 19 B9R1.69 C[C@H]1CN(C)C(=O)CN1 1465AA [0,0,0,1,0,0|3,0,0]=4 20 B6R0.1 CCCC(=O)OC 8838AJ [2,0,0,0,0,0|1,0,0]=3 21 B6R0.2 CC(=O)CN(C)C 4784AD [2,0,0,0,0,0|1,0,0]=3 22 B6R0.2 CC(C)=CC(C)C 5316AL [2,0,0,0,0,0|1,0,1]=4 23 B6R0.4 CC(C)=CCCO 1893AC [2,0,0,0,0,0|2,0,0]=4 24 B8R0.2 CC(C)[C@H](N)C(=O)CCl 7355AH [1,1,0,0,0,0|1,0,1]=4 25 B8R0.5 CCCC(=O)CC(C)C 9453AB [1,1,0,0,0,0|0,0,1]=3 26 B8R0.19 COC(=O)CC(O)CCl 1082AA [1,1,0,0,0,0|2,0,0]=4 27 B8R0.3 CCOC(=O)C(C)C=O X5962 [1,1,0,0,0,0|1,0,1]=4 28 B8R0.8 C=C(C)C(=O)OCCF 8148AE [1,1,0,0,0,0|2,0,0]=4 29 B8R0.9 CC(=O)NCC(C)CN 8476AL [1,1,0,0,0,0|1,0,0]=3 30 B8R0.9 CC(=O)NCC(O)CCl 5114AB [1,1,0,0,0,0|2,0,0]=4 31 B8R0.9 CC(=O)NC[C@H](O)CCl 1336AB [1,1,0,0,0,0|2,0,0]=4 32 B8R0.9 COC(=O)CCN(C)C 4989AB [1,1,0,0,0,0|1,0,1]=4 33 B10R0.44 COC(=O)CC(=O)CC(C)=O 3050AB [0,1,0,0,0,1|1,0,1]=4 34 B10R0.44 COC(=O)CC(N)CC(C)C TMBA019 [0,1,0,0,0,1|1,0,1]=4 35 B10R0.32 CCOC(=O)[C@@H](N)CC(C)C 2609AB [0,2,0,0,0,0|1,0,1]=4 36 B10R0.37 CC(C)(C)OC(=O)C(=O)CBr 8548AA [0,2,0,0,0,0|1,0,0]=3 37 B10R0.54 CN[C@@H](CC(C)C)C(=O)OC 0561AP [0,2,0,0,0,0|1,0,1]=4 38 B8R1.4 CC1CCCC(=O)N1 6454AJ [1,0,0,1,0,0|1,0,1]=4 39 B8R1.4 CC1CCNC(=O)N1 V4468 [1,0,0,1,0,0|2,0,0]=4 40 B8R1.4 CN1CCC=C(Br)C1 1699AE [1,0,0,1,0,0|2,0,0]=4 41 B8R1.4 NC1CCNC(=O)C1 X9664 [1,0,0,1,0,0|2,0,0]=4 42 B8R1.51 CC1(O)CNC(=O)C1 7641AB [1,0,0,1,0,0|2,0,0]=4 43 B8R1.5 NC1CCCCC1=O Y8332 [1,0,0,1,0,0|1,0,1]=4 44 B8R1.5 O=C1CCCC=C1I 2099AL [1,0,0,1,0,0|1,0,1]=4 45 B8R1.5 O=C1CCCCC1F Z5041 [1,0,0,1,0,0|1,0,1]=4 46 B8R1.5 O=C1NCCOC1=O 3605AL [1,0,0,1,0,0|2,0,0]=4 47 B8R1.7 CC(=O)[C@@H]1CCCO1 5805AA [1,0,0,1,0,0|0,0,2]=4 48 B8R1.7 CC(=O)[C@H]1CCCO1 0229AC [1,0,0,1,0,0|0,0,2]=4 49 B8R1.3 CC1COC(=O)OC1 3991AC [1,0,0,1,0,0|2,0,0]=4 50 B8R1.3 N[C@@H]1CCC(=O)NC1 0145AA [1,0,0,1,0,0|2,0,0]=4 51 B10R1.147 CC1=CC(C)(C)CCC1=O 1885AL [0,0,0,1,0,1|1,0,0]=3 52 B10R1.64 CC(C)\N=C1/CCCC1=O 6822AE [0,1,0,1,0,0|2,0,0]=4 53 B8R0.28 C=C(C)CCCC(C)C 5416AL [1,0,0,0,0,1|1,0,1]=4 54 B8R0.28 C\C(Br)=C/CCC(C)C 4781AJ [1,0,0,0,0,1|1,0,0]=3