0 B5R0.1 CC(C)CCO DB02296 [0,0,0,0,0,0|1,0,2]=3 1 B5R0.1 CC(O)CCO DB14110 [0,0,0,0,0,0|2,0,2]=4 2 B5R0.1 CN(C)CCO DB13352 [0,0,0,0,0,0|2,0,2]=4 3 B5R0.1 C[C@H](O)CCO DB02202 [0,0,0,0,0,0|2,0,2]=4 4 B4R0.1 CC(=O)C=O DB03587 [1,0,0,0,0,0|1,0,1]=3 5 B4R0.1 CC(=O)O[Hg+] DB02176 [1,0,0,0,0,0|2,0,1]=4 6 B4R0.1 CC[C@@H](C)O DB02606 [1,0,0,0,0,0|2,0,1]=4 7 B4R0.1 CN(C)C=O DB01844 [1,0,0,0,0,0|1,0,0]=2 8 B4R0.1 C[C@@H](Cl)CCl DB01701 [1,0,0,0,0,0|2,0,1]=4 9 B4R0.1 C[C@@H](O)CO DB02159 [1,0,0,0,0,0|1,0,2]=4 10 B4R0.1 C[C@H](O)C=O DB03776 [1,0,0,0,0,0|1,0,0]=2 11 B4R0.1 C[C@H](O)CBr DB03335 [1,0,0,0,0,0|2,0,1]=4 12 B4R0.1 C[C@H](O)CO DB04349 [1,0,0,0,0,0|1,0,2]=4 13 B4R0.1 C[C@H](O)C[NH3+] DB02576 [1,0,0,0,0,0|2,0,1]=4 14 B4R0.1 O=CC(=O)O DB04343 [1,0,0,0,0,0|2,0,1]=4 15 B4R0.2 CCCCN DB03659 [1,0,0,0,0,0|2,0,1]=4 16 B4R0.2 CCCCO DB02145 [1,0,0,0,0,0|1,0,2]=4 17 B4R0.2 C\C=C\C=O DB04381 [1,0,0,0,0,0|1,0,1]=3 18 B4R0.2 O=CCC=O DB03057 [1,0,0,0,0,0|2,0,1]=4 19 B4R0.2 [C-]#[N+]CCC DB04050 [1,0,0,0,0,0|3,0,0]=4 20 B6R0.2 CC(=O)CC(=O)O DB01762 [0,1,0,0,0,0|2,0,1]=4 21 B6R0.2 CC(C)CC(=O)O DB03750 [0,1,0,0,0,0|1,0,0]=2 22 B6R0.2 CC(C)C[C@@H](C)N DB02107 [0,1,0,0,0,0|2,0,1]=4 23 B6R0.2 CC(C)SC(=N)N DB04018 [0,1,0,0,0,0|1,1,0]=3 24 B6R0.2 CN(C)CC(=O)O DB02083 [0,1,0,0,0,0|2,0,0]=3 25 B6R0.3 CC(C)[C@H](N)CO DB04383 [0,1,0,0,0,0|1,0,2]=4 26 B6R0.5 CC(C)(C)OC=O DB02768 [0,1,0,0,0,0|0,0,0]=1 27 B6R0.5 C[N+](C)(C)CC=O DB04401 [0,1,0,0,0,0|2,0,0]=3 28 B3R0.1 C#[N+]CC DB03399 [2,0,0,0,0,0|1,0,1]=4 29 B3R0.1 CCCO DB03175 [2,0,0,0,0,0|0,0,2]=4 30 B3R0.1 CCN=O DB02646 [2,0,0,0,0,0|1,0,0]=3 31 B3R0.1 CCNC DB02396 [2,0,0,0,0,0|1,0,1]=4 32 B3R0.1 N=CCN DB02108 [2,0,0,0,0,0|2,0,0]=4 33 B3R0.2 CC(N)=O DB02736 [2,0,0,0,0,0|1,0,1]=4 34 B3R0.2 C[P@@H](=O)[O-] DB02825 [2,0,0,0,0,0|2,0,0]=4 35 B3R0.2 C[P@H](=O)O DB02845 [2,0,0,0,0,0|2,0,0]=4 36 B5R0.3 O=C[C@H](O)CO DB02536 [1,1,0,0,0,0|1,0,0]=3 37 B5R0.4 CC(C)(O)C#N DB02203 [1,1,0,0,0,0|1,0,1]=4 38 B5R0.4 O=CC(Cl)(Cl)Cl DB02650 [1,1,0,0,0,0|2,0,0]=4 39 B5R0.5 CC(=O)C(N)=O DB03578 [1,1,0,0,0,0|1,0,1]=4 40 B5R0.5 CC(=O)[C@@H](C)O DB04364 [1,1,0,0,0,0|1,0,0]=3 41 B5R0.5 CC(=O)[C@H](C)O DB02788 [1,1,0,0,0,0|1,0,0]=3 42 B5R0.5 CC(=[NH2+])C(=O)[O-] DB04212 [1,1,0,0,0,0|1,0,1]=4 43 B5R0.5 CC(C)C(=O)O DB02531 [1,1,0,0,0,0|0,0,0]=2 44 B5R0.5 C[C@@H](N)C(=O)O DB01786 [1,1,0,0,0,0|1,0,0]=3 45 B5R0.5 C[C@@H](O)C(=O)O DB03066 [1,1,0,0,0,0|1,0,0]=3 46 B5R0.2 CCCCC=O DB01919 [1,1,0,0,0,0|1,0,0]=3 47 B5R0.2 CCOCCO DB02249 [1,1,0,0,0,0|0,0,2]=4 48 B7R0.2 CC(C)NC(=N)NO DB02143 [0,2,0,0,0,0|1,0,1]=4 49 B7R0.2 [C@H](N)(CS)CC(=O)O DB02780 [0,2,0,0,0,0|2,0,0]=4 50 B7R0.9 CC(C)OP(=O)(O)O DB03976 [0,2,0,0,0,0|1,0,0]=3 51 B7R0.9 C[N+](C)(C)CC(=O)O DB04455 [0,2,0,0,0,0|2,0,0]=4 52 B7R0.16 CC(C)C(=O)C(=O)O DB04074 [0,2,0,0,0,0|1,0,0]=3 53 B7R0.16 C[C@@H](O)[C@@H](N)C(=O)O DB03700 [0,2,0,0,0,0|2,0,0]=4 54 B7R0.16 [C@@H](N)(C(=O)O)[C@@H](C)N DB04804 [0,2,0,0,0,0|2,0,0]=4 55 B7R0.16 [C@H](C)(C(=O)O)N(C)C DB02167 [0,2,0,0,0,0|2,0,0]=4 56 B7R0.16 [C@H](C)(N)[C@@H](N)C(=O)O DB04802 [0,2,0,0,0,0|2,0,0]=4 57 B7R0.6 CC(C)CCC(=O)O DB03993 [0,2,0,0,0,0|1,0,0]=3