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 CSC[S@](C)=O DB02311 [0,0,0,0,0,0|3,0,1]=4 4 B5R0.1 C[C@H](O)CCO DB02202 [0,0,0,0,0,0|2,0,2]=4 5 B5R0.1 C\C=C\C(=O)O DB02074 [0,0,0,0,0,0|2,0,1]=3 6 B4R0.1 C=CC(=O)O DB02579 [1,0,0,0,0,0|2,0,1]=4 7 B4R0.1 CC(=O)C=O DB03587 [1,0,0,0,0,0|2,0,1]=4 8 B4R0.1 CC[C@@H](C)O DB02606 [1,0,0,0,0,0|1,0,1]=3 9 B4R0.1 CN(C)C=O DB01844 [1,0,0,0,0,0|2,0,0]=3 10 B4R0.1 C[C@@H](Cl)CCl DB01701 [1,0,0,0,0,0|2,0,1]=4 11 B4R0.1 C[C@@H](O)CO DB02159 [1,0,0,0,0,0|2,0,1]=4 12 B4R0.1 C[C@H](O)C=O DB03776 [1,0,0,0,0,0|2,0,0]=3 13 B4R0.1 C[C@H](O)CBr DB03335 [1,0,0,0,0,0|2,0,1]=4 14 B4R0.1 C[C@H](O)CO DB04349 [1,0,0,0,0,0|2,0,1]=4 15 B4R0.1 C[C@H](O)C[NH3+] DB02576 [1,0,0,0,0,0|2,0,1]=4 16 B4R0.2 CCCCN DB03659 [1,0,0,0,0,0|1,0,2]=4 17 B4R0.2 CCCCO DB02145 [1,0,0,0,0,0|1,0,2]=4 18 B4R0.2 COCCO DB02806 [1,0,0,0,0,0|2,0,1]=4 19 B4R0.2 C\C=C\C=O DB04381 [1,0,0,0,0,0|1,0,1]=3 20 B4R0.2 [C-]#[N+]CCC DB04050 [1,0,0,0,0,0|1,0,2]=4 21 B6R0.2 CC(C)CC(=O)O DB03750 [0,1,0,0,0,0|1,0,1]=3 22 B6R0.2 CC(C)C[C@@H](C)N DB02107 [0,1,0,0,0,0|0,0,2]=3 23 B6R0.2 CC(C)SC(=N)N DB04018 [0,1,0,0,0,0|2,0,0]=3 24 B6R0.2 CN(C)CC(=O)O DB02083 [0,1,0,0,0,0|2,0,1]=4 25 B6R0.3 CC(C)[C@H](N)CO DB04383 [0,1,0,0,0,0|1,0,2]=4 26 B6R0.3 C\C=C(/N)C(=O)O DB03720 [0,1,0,0,0,0|2,0,1]=4 27 B6R0.5 CC(C)(C)OC=O DB02768 [0,1,0,0,0,0|2,0,0]=3 28 B6R0.5 C[N+](C)(C)CC=O DB04401 [0,1,0,0,0,0|2,0,1]=4 29 B6R1.2 CC1=CNC=C1 DB01932 [0,0,0,1,0,0|1,0,2]=4 30 B6R1.2 CN1C=C[NH+]=C1 DB02671 [0,0,0,1,0,0|2,0,1]=4 31 B3R0.1 C#[N+]CC DB03399 [2,0,0,0,0,0|1,0,1]=4 32 B3R0.1 C(N)=CS DB01968 [2,0,0,0,0,0|2,0,0]=4 33 B3R0.1 CCCO DB03175 [2,0,0,0,0,0|1,0,1]=4 34 B3R0.1 CCN=O DB02646 [2,0,0,0,0,0|2,0,0]=4 35 B3R0.1 CCNC DB02396 [2,0,0,0,0,0|1,0,0]=3 36 B3R0.1 N=CCN DB02108 [2,0,0,0,0,0|2,0,0]=4 37 B5R0.3 O=C[C@H](O)CO DB02536 [1,1,0,0,0,0|2,0,0]=4 38 B5R0.4 CC(C)(O)C#N DB02203 [1,1,0,0,0,0|1,0,1]=4 39 B5R0.4 CC[Si](C)(C)C DB02265 [1,1,0,0,0,0|0,1,1]=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(C)C(=O)O DB02531 [1,1,0,0,0,0|1,0,0]=3 43 B5R0.5 C[C@@H](N)C(=O)O DB01786 [1,1,0,0,0,0|2,0,0]=4 44 B5R0.5 C[C@@H](O)C(=O)O DB03066 [1,1,0,0,0,0|2,0,0]=4 45 B5R0.5 C[C@H](O)[C@@H](C)O DB02418 [1,1,0,0,0,0|1,0,1]=4 46 B5R0.2 CCCCC=O DB01919 [1,1,0,0,0,0|1,0,1]=4 47 B5R0.2 CCCCCN DB02045 [1,1,0,0,0,0|0,0,2]=4 48 B5R0.2 CCOCCO DB02249 [1,1,0,0,0,0|1,0,1]=4 49 B5R0.2 COCCOC DB01749 [1,1,0,0,0,0|1,0,1]=4 50 B7R0.2 CC(C)NC(=N)NO DB02143 [0,2,0,0,0,0|2,0,0]=4 51 B7R0.9 C[C@H](O)CC(C)(C)O DB03564 [0,2,0,0,0,0|0,0,2]=4 52 B7R0.16 CC(C)C(=O)C(=O)O DB04074 [0,2,0,0,0,0|1,0,0]=3 53 B7R0.6 CC(C)CCC(=O)O DB03993 [0,2,0,0,0,0|1,0,1]=4 54 B7R1.1 NC[C@@H]1CCCN1 DB03253 [0,1,0,1,0,0|1,0,1]=4 55 B7R1.3 [C@@H]1(N)CCC=NC1 DB04504 [0,1,0,1,0,0|1,0,1]=4 56 B7R1.4 CC1=[NH+]C=CN1C DB03789 [0,1,0,1,0,0|2,0,0]=4 57 B7R1.4 N[C@@H]1CCOC1=O DB02624 [0,1,0,1,0,0|2,0,0]=4