0 B7R0.9 CC(C)(C)CC(=O)O B0283 [0,0,0,0,0,0|1,0,1]=2 1 B7R0.9 CC(C)(C)NC(N)=S B11521 [0,0,0,0,0,0|3,1,0]=4 2 B7R0.9 CC(C)(C)OC(N)=O B14424 [0,0,0,0,0,0|3,0,0]=3 3 B7R0.9 CC(C)(N)CC(=O)O A17650 [0,0,0,0,0,0|2,0,1]=3 4 B7R0.9 C[N+](C)(C)CC(=O)Cl C12709 [0,0,0,0,0,0|1,0,0]=1 5 B6R0.2 C(C(=O)O)N(C)C D18801 [1,0,0,0,0,0|0,0,2]=3 6 B6R0.2 CC(C)=CC(=O)O D18784 [1,0,0,0,0,0|1,0,2]=4 7 B6R0.2 CC(C)CC(=N)N M13844 [1,0,0,0,0,0|3,0,0]=4 8 B8R0.24 CC(C)(C)OC(=O)CN G2443 [0,1,0,0,0,0|3,0,0]=4 9 B8R0.24 CC(C)(C)OC(=O)NO B12392 [0,1,0,0,0,0|2,0,1]=4 10 B8R0.27 CC(C)(C)C(N)C(=O)O B17745 [0,1,0,0,0,0|1,0,1]=3 11 B8R0.27 CC(C)(F)C(N)C(=O)O F13409 [0,1,0,0,0,0|2,0,1]=4 12 B8R1.77 CC1(C)CC1C(=O)O D2248 [0,0,0,1,0,0|1,0,1]=3 13 B8R1.77 CC1(C)C[C@@H]1C(=O)O T7829 [0,0,0,1,0,0|1,0,1]=3 14 B8R1.77 CC1(C)C[C@@H]1C(N)=O D2247 [0,0,0,1,0,0|2,0,0]=3 15 B6R0.7 CC(C)(C)C(=N)N D12998 [0,0,0,0,1,0|3,0,0]=4 16 B6R0.7 CC(C)(C)C(=O)Cl P18804 [0,0,0,0,1,0|2,0,0]=3 17 B6R0.7 CC(C)(C)[S@@](N)=O M7186 [0,0,0,0,1,0|3,0,0]=4 18 B6R0.7 CC(C)(C)[S@](N)=O M7185 [0,0,0,0,1,0|3,0,0]=4 19 B6R0.7 CC(C)(C)[S@](N)=O M7185 [0,0,0,0,1,0|3,0,0]=4 20 B8R0.29 CC(C)(C)[NH2+]CC(=O)Cl B12779 [0,0,0,0,0,1|2,0,0]=3 21 B8R0.29 CC(C)(C)[NH2+]CC(=O)O B13229 [0,0,0,0,0,1|1,0,1]=3 22 B8R0.29 CC(C)(N)CNC(N)=O A17904 [0,0,0,0,0,1|3,0,0]=4 23 B8R0.29 CC(C)(N)CNC(N)=O A17905 [0,0,0,0,0,1|3,0,0]=4 24 B5R0.1 CCCC(=O)O B18853 [2,0,0,0,0,0|1,0,1]=4 25 B5R0.1 CNCC(=O)O S18803 [2,0,0,0,0,0|0,0,2]=4 26 B5R0.4 C[Si](C)(C)CCl C16837 [2,0,0,0,0,0|2,0,0]=4 27 B7R0.2 CC[C@H](C)CC(=O)O M13871 [1,1,0,0,0,0|1,0,1]=4 28 B7R0.16 CC(C)[C@@H](Br)C(=O)O B8237 [1,1,0,0,0,0|1,0,1]=4 29 B7R0.16 CC(C)[C@@H](N)C(=O)O V6098 [1,1,0,0,0,0|1,0,1]=4 30 B7R0.16 CC(C)[C@H](Br)C(=O)O B8238 [1,1,0,0,0,0|1,0,1]=4 31 B7R0.16 CC(C)[C@H](O)C(=O)O H12825 [1,1,0,0,0,0|1,0,1]=4 32 B9R0.21 CC(C)(C)NCC(=O)O[Na] B12689 [0,1,0,0,0,1|1,0,1]=4 33 B9R0.64 CC(C)(CO)COC(N)=O C17002 [0,1,0,0,0,1|2,0,0]=4 34 B7R1.20 O=C(O)CC1CC1 C2235 [1,0,0,1,0,0|1,0,1]=4 35 B9R1.128 O=C(O)CC1(CS)CC1 M11356 [0,1,0,1,0,0|1,0,1]=4 36 B5R0.5 CC(C)C(N)=O I11048 [1,0,0,0,1,0|2,0,0]=4 37 B9R0.56 C[N+](C)(C)NCCC(=O)[O-] M12650 [0,0,0,0,0,2|0,0,0]=2 38 B9R0.56 C[N+](C)(C)NCCC(=O)[O-] M12650 [0,0,0,0,0,2|0,0,0]=2