0 B8R0.3 CCOC(=O)C(C)CN A14614 [0,0,0,0,0,0|1,0,0]=1 1 B8R0.3 CCOC(=O)C(N)C#N E14057 [0,0,0,0,0,0|2,0,1]=3 2 B8R0.3 CCOC(=O)[C@@H](N)CS C8432 [0,0,0,0,0,0|2,0,0]=2 3 B7R0.3 CCOCC(O)CN A15120 [1,0,0,0,0,0|2,0,1]=4 4 B7R0.5 CCOC(=O)C(F)Br E1920 [1,0,0,0,0,0|2,0,0]=3 5 B7R0.5 CCOC(=O)C(F)F E5215 [1,0,0,0,0,0|2,0,0]=3 6 B7R0.7 COCC(=O)COC D12730 [1,0,0,0,0,0|3,0,0]=4 7 B7R0.7 [C-]#[N+]CC(=O)OCC E14341 [1,0,0,0,0,0|1,0,1]=3 8 B7R0.10 COC(=O)[C@@H](N)CS C7887 [1,0,0,0,0,0|2,0,0]=3 9 B9R0.6 CCOC(=O)[C@@H](N)C(C)C V8260 [0,1,0,0,0,0|1,0,0]=2 10 B9R1.3 CC1C(=O)CCCC1=O D3659 [0,0,0,1,0,0|2,0,1]=4 11 B9R1.5 N[C@H]1CCCCNC1=O A0101 [0,0,0,1,0,0|2,0,0]=3 12 B9R1.15 CCC1NCCNC1=O E15728 [0,0,0,1,0,0|2,0,0]=3 13 B9R1.37 CC1=C(O)C(=O)OC1C D6964 [0,0,0,1,0,0|1,0,2]=4 14 B9R1.73 CCOC(=O)C1CNC1 A19137 [0,0,0,1,0,0|1,0,0]=2 15 B9R1.74 CCOC(=O)C1(N)CC1 A18991 [0,0,0,1,0,0|1,0,0]=2 16 B9R0.34 CCOC(=O)C[C@@H](O)CBr B7205 [0,0,0,0,0,1|2,0,0]=3 17 B9R0.34 CCOC(=O)C[C@@H](O)CCl E6788 [0,0,0,0,0,1|2,0,0]=3 18 B9R0.34 CCOC(=O)C[C@H](O)CBr B7204 [0,0,0,0,0,1|2,0,0]=3 19 B9R0.34 CCOC(=O)C[C@H](O)CCl C6789 [0,0,0,0,0,1|2,0,0]=3 20 B6R0.1 C=CC(=O)CCC H17062 [2,0,0,0,0,0|0,0,2]=4 21 B6R0.1 CCOC(=O)CN A14488 [2,0,0,0,0,0|1,0,0]=3 22 B6R0.1 CNCC(=O)OC M5408 [2,0,0,0,0,0|1,0,0]=3 23 B6R0.1 [C-]#[N+]CC(=O)OC M14376 [2,0,0,0,0,0|1,0,1]=4 24 B6R0.3 CCC(C)C(=N)N M13845 [2,0,0,0,0,0|2,0,0]=4 25 B6R0.3 CCC(N)C(=O)O A2780 [2,0,0,0,0,0|1,0,0]=3 26 B6R0.3 CC[C@H](N)C(=O)O H17729 [2,0,0,0,0,0|1,0,0]=3 27 B6R0.3 CC[C@H](N)C(N)=O A3220 [2,0,0,0,0,0|2,0,0]=4 28 B6R0.3 CC[C@H](N)C(N)=O A3220 [2,0,0,0,0,0|2,0,0]=4 29 B6R0.3 COC(=O)[C@H](C)Cl M7191 [2,0,0,0,0,0|1,0,0]=3 30 B6R0.3 NCC(N)C(=O)O D14331 [2,0,0,0,0,0|2,0,0]=4 31 B6R0.3 NCC(N)C(=O)O D14332 [2,0,0,0,0,0|2,0,0]=4 32 B6R0.3 NC[C@H](N)C(=O)O A18206 [2,0,0,0,0,0|2,0,0]=4 33 B6R0.3 NC[C@H](O)C(=O)O I4023 [2,0,0,0,0,0|2,0,0]=4 34 B6R0.3 N[C@@H](CS)C(=O)O C0937 [2,0,0,0,0,0|2,0,0]=4 35 B6R0.3 N[C@@H](CS)C(=O)O C0937 [2,0,0,0,0,0|2,0,0]=4 36 B6R0.3 N[C@@H](CS)C(=O)O C2088 [2,0,0,0,0,0|2,0,0]=4 37 B6R0.3 N[C@@H](CS)C(=O)O C2088 [2,0,0,0,0,0|2,0,0]=4 38 B6R0.3 N[C@H](CO)C(=O)O S5985 [2,0,0,0,0,0|2,0,0]=4 39 B6R0.3 N[C@H](CS)C(=O)O C6089 [2,0,0,0,0,0|2,0,0]=4 40 B8R0.14 CCOC(=O)C(F)(F)Br E3484 [1,1,0,0,0,0|2,0,0]=4 41 B8R0.20 CCN(CC)C(=O)CCl C0410 [1,1,0,0,0,0|2,0,0]=4 42 B10R0.2 CCOC(=O)C[C@H](O)CC#N E2621 [0,1,0,0,0,1|1,0,1]=4 43 B10R0.26 CCOC(=O)CC(N)C(C)C A14611 [0,1,0,0,0,1|1,0,0]=3 44 B10R0.19 CCOC(=O)[C@@H](N)CCSC M5409 [0,2,0,0,0,0|1,0,0]=3 45 B10R0.19 CCOC(=O)[C@H](N)CCSC M6334 [0,2,0,0,0,0|1,0,0]=3 46 B10R0.32 CCOC(=O)[C@@H](N)CC(C)C L5533 [0,2,0,0,0,0|1,0,0]=3 47 B8R1.2 CCC1CCCCN1 E3360 [1,0,0,1,0,0|2,0,0]=4 48 B10R1.34 O=C1O[C@H](CO)[C@@H](O)[C@H]1O R11766 [0,1,0,1,0,0|2,0,0]=4 49 B10R1.275 CN1CCCC[C@H](N)C1=O A15399 [0,1,0,1,0,0|2,0,0]=4 50 B10R1.401 CCOC(=O)C1(N)CCC1 A15435 [0,1,0,1,0,0|0,0,0]=2 51 B10R1.401 CCOC(=O)C1(N)CCC1 A18524 [0,1,0,1,0,0|0,0,0]=2 52 B10R2.62 C12CCN(CC1)CC2=O Q5369 [0,0,0,2,0,0|2,0,0]=4