0 B8R0.5 CCCC(N)CC(=O)O A14453 [0,0,0,0,0,0|3,0,1]=4 1 B8R0.5 CCO\C(N)=C\C(=O)O A15455 [0,0,0,0,0,0|2,0,1]=3 2 B7R0.2 CCC(N)CC(=O)O A14449 [1,0,0,0,0,0|2,0,1]=4 3 B7R0.2 CCC(N)CC(=O)O A18198 [1,0,0,0,0,0|2,0,1]=4 4 B7R0.2 CC[C@@H](N)CC(=O)O A18229 [1,0,0,0,0,0|2,0,1]=4 5 B7R0.2 CC[C@H](C)CC(=O)O M13871 [1,0,0,0,0,0|2,0,1]=4 6 B7R0.2 COC(=O)C[N+](=O)[O-] M18810 [1,0,0,0,0,0|2,0,0]=3 7 B7R0.2 COC(=O)\C=C(\C)N A18843 [1,0,0,0,0,0|1,0,1]=3 8 B7R0.4 CC(=O)CCCCCl C18888 [1,0,0,0,0,0|2,0,1]=4 9 B7R0.4 CCOCCC(=N)N E14098 [1,0,0,0,0,0|2,0,1]=4 10 B7R0.4 CCO\C=C\C(=N)N E16866 [1,0,0,0,0,0|2,0,1]=4 11 B7R0.7 COCC(=O)COC D12730 [1,0,0,0,0,0|3,0,0]=4 12 B7R0.7 [C-]#[N+]CC(=O)OCC E14341 [1,0,0,0,0,0|1,0,1]=3 13 B9R0.6 CCOC(=O)[C@@H](N)C(C)C V8260 [0,1,0,0,0,0|1,0,1]=3 14 B9R0.34 CCOC(=O)C[C@@H](O)CBr B7205 [0,1,0,0,0,0|0,0,2]=3 15 B9R0.34 CCOC(=O)C[C@@H](O)CCl E6788 [0,1,0,0,0,0|0,0,2]=3 16 B9R0.34 CCOC(=O)C[C@H](O)CBr B7204 [0,1,0,0,0,0|0,0,2]=3 17 B9R0.34 CCOC(=O)C[C@H](O)CCl C6789 [0,1,0,0,0,0|0,0,2]=3 18 B9R0.34 CCOC(=O)C\C(N)=N\O H13133 [0,1,0,0,0,0|1,0,1]=3 19 B9R0.44 CCOC(=O)CS(=O)(=O)Cl C4521 [0,1,0,0,0,0|2,0,0]=3 20 B9R0.44 CCOC(=O)CS(=O)(=O)Cl C4521 [0,1,0,0,0,0|2,0,0]=3 21 B9R0.44 CCOC(=O)CS(C)(=O)=O E7724 [0,1,0,0,0,0|1,0,0]=2 22 B9R0.53 C\C(N)=C\C(=O)OC(C)C I1588 [0,1,0,0,0,0|1,0,1]=3 23 B9R1.41 CC(=O)N1CCNC1=O A4324 [0,0,0,1,0,0|2,0,0]=3 24 B7R0.5 CCOC(=O)C(F)Br E1920 [0,0,0,0,1,0|2,0,1]=4 25 B7R0.5 CCOC(=O)C(F)F E5215 [0,0,0,0,1,0|2,0,1]=4 26 B9R0.48 CCOC(=O)\C=C\C(=O)O F0286 [0,0,0,0,0,1|1,0,1]=3 27 B9R0.48 CCOC(=O)\C=C\N(C)C E12533 [0,0,0,0,0,1|2,0,1]=4 28 B6R0.1 C=CC(=O)CCC H17062 [2,0,0,0,0,0|1,0,1]=4 29 B6R0.1 CCOC(=O)CN A14488 [2,0,0,0,0,0|1,0,0]=3 30 B6R0.1 CNCC(=O)OC M5408 [2,0,0,0,0,0|1,0,0]=3 31 B6R0.1 [C-]#[N+]CC(=O)OC M14376 [2,0,0,0,0,0|1,0,1]=4 32 B6R0.2 C(C(=O)O)N(C)C D18801 [2,0,0,0,0,0|2,0,0]=4 33 B6R0.2 CC(C)=CC(=O)O D18784 [2,0,0,0,0,0|1,0,1]=4 34 B8R0.2 COC(=O)[C@@H](N)C(C)C V7757 [1,1,0,0,0,0|1,0,1]=4 35 B8R0.2 COC(=O)[C@@H](N)[C@@H](C)O T7815 [1,1,0,0,0,0|0,0,2]=4 36 B8R0.7 CC(=O)OCCOCCl A15221 [1,1,0,0,0,0|1,0,1]=4 37 B8R0.1 CCOC(=O)\C=C\CBr E1566 [1,1,0,0,0,0|0,0,1]=3 38 B8R0.3 CCOC(=O)C(C)CN A14614 [1,1,0,0,0,0|1,0,1]=4 39 B8R0.3 CCOC(=O)C(N)C#N E14057 [1,1,0,0,0,0|1,0,1]=4 40 B8R0.3 CCOC(=O)[C@@H](N)CS C8432 [1,1,0,0,0,0|0,1,1]=4 41 B10R0.26 CCOC(=O)CC(N)C(C)C A14611 [0,1,0,0,0,1|1,0,1]=4 42 B10R0.32 CCOC(=O)[C@@H](N)CC(C)C L5533 [0,1,0,0,0,1|1,0,1]=4 43 B10R0.2 CCOC(=O)C[C@H](O)CC#N E2621 [0,2,0,0,0,0|0,0,2]=4 44 B8R1.4 NC1=CC(=O)CCC1 A11848 [1,0,0,1,0,0|1,0,1]=4 45 B8R1.4 O=C1C=C(Cl)CCC1 C14310 [1,0,0,1,0,0|1,0,1]=4 46 B8R1.18 N[C@@H]1CC(=O)OC1=O A18191 [1,0,0,1,0,0|2,0,0]=4 47 B8R1.7 O=C(O)C1CCOC1 T15197 [1,0,0,1,0,0|1,0,1]=4 48 B10R1.64 CC(=O)NC1CCSC1=O C5646 [0,0,0,1,0,1|0,1,0]=3 49 B10R1.113 O=C1CCCC(C(=O)O)N1 O14392 [0,0,0,1,0,1|2,0,0]=4 50 B10R1.61 CC(=O)N1CCCCC1=O A17996 [0,1,0,1,0,0|2,0,0]=4 51 B10R1.329 CC1(C)CC(=O)CC(=O)C1 D5350 [0,1,0,1,0,0|1,0,0]=3 52 B10R1.329 CC1(C)OC(=O)CC(=O)O1 D3596 [0,1,0,1,0,0|1,0,0]=3 53 B6R0.3 COC(=O)[C@H](C)Cl M7191 [1,0,0,0,1,0|1,0,1]=4