0 B5R0.4 CCC(C)(C)O M19505 [0,0,0,0,0,0|4,0,0]=4 1 B5R0.4 COS(=O)(=O)O M15380 [0,0,0,0,0,0|0,0,0]=0 2 B5R0.4 COS(C)(=O)=O M29006 [0,0,0,0,0,0|1,0,0]=1 3 B4R0.1 C=CC(=O)O M19691 [1,0,0,0,0,0|2,0,1]=4 4 B4R0.1 CCC(=O)O M19664 [1,0,0,0,0,0|2,0,0]=3 5 B4R0.1 COC(N)=O M15223 [1,0,0,0,0,0|2,0,0]=3 6 B4R0.1 NCC(=O)O M18816 [1,0,0,0,0,0|3,0,0]=4 7 B4R0.1 O=C(O)CO M20606 [1,0,0,0,0,0|3,0,0]=4 8 B4R0.1 O=CC(=O)O M19632 [1,0,0,0,0,0|3,0,0]=4 9 B4R0.3 CS(C)(=O)=O M24689 [1,0,0,0,0,0|1,0,0]=2 10 B4R0.3 O=P([O-])(O)O M27688 [1,0,0,0,0,0|1,0,1]=3 11 B4R0.3 O=P([O-])([O-])O M21197 [1,0,0,0,0,0|1,0,2]=4 12 B4R0.3 O=S(=O)(O)O M25051 [1,0,0,0,0,0|0,0,0]=1 13 B4R0.3 O=S(=O)([O-])[O-] M24754 [1,0,0,0,0,0|0,0,2]=3 14 B4R0.3 O=[Mo](=O)([O-])[O-] M20054 [1,0,0,0,0,0|1,0,2]=4 15 B4R0.3 O=[V-3](=O)(=O)=O M11533 [1,0,0,0,0,0|1,0,2]=4 16 B6R0.5 NCCP(=O)(O)O M19574 [0,1,0,0,0,0|2,0,1]=4 17 B6R0.5 NCCS(=O)(=O)O M10303 [0,1,0,0,0,0|1,0,0]=2 18 B6R0.5 O=S(=O)([O-])CCO M19983 [0,1,0,0,0,0|1,0,1]=3 19 B6R0.5 O=S(=O)([O-])CCS M13089 [0,1,0,0,0,0|1,0,1]=3 20 B6R0.7 CN(C)S(=O)(=O)Cl M11344 [0,1,0,0,0,0|2,0,0]=3 21 B3R0.2 CC(=O)[O-] M21175 [2,0,0,0,0,0|1,0,1]=4 22 B3R0.2 CC(=O)[O-] M23441 [2,0,0,0,0,0|1,0,1]=4 23 B3R0.2 CC(=O)[S-] M27572 [2,0,0,0,0,0|1,1,0]=4 24 B3R0.2 CC(N)=O M20887 [2,0,0,0,0,0|2,0,0]=4 25 B3R0.2 CS(C)=O M15586 [2,0,0,0,0,0|1,0,1]=4 26 B3R0.2 O[AlH3](O)O M23979 [2,0,0,0,0,0|1,0,1]=4 27 B5R0.1 CCCC(=O)O M19749 [1,1,0,0,0,0|2,0,0]=4 28 B5R0.1 CCOC(N)=O M14805 [1,1,0,0,0,0|2,0,0]=4 29 B5R0.1 CNCC(=O)O M17800 [1,1,0,0,0,0|2,0,0]=4 30 B5R0.1 C\C=C\C(=O)O M19987 [1,1,0,0,0,0|2,0,0]=4 31 B5R0.1 NCCC(=O)O M10320 [1,1,0,0,0,0|2,0,0]=4 32 B5R0.1 NCCS(=O)O M20061 [1,1,0,0,0,0|1,0,1]=4 33 B5R0.1 NOCC(=O)O M20571 [1,1,0,0,0,0|2,0,0]=4 34 B5R0.3 O=C(O[Na])O[Na] M27578 [1,1,0,0,0,0|2,0,0]=4 35 B5R0.5 CC(=O)C(=O)O M19559 [1,1,0,0,0,0|2,0,0]=4 36 B5R0.5 CC(C)C(=O)O M19754 [1,1,0,0,0,0|2,0,0]=4 37 B5R0.5 CC(N)C(=O)O M18817 [1,1,0,0,0,0|2,0,0]=4 38 B5R0.5 C[C@@H](N)C(=O)O M19597 [1,1,0,0,0,0|2,0,0]=4 39 B5R0.5 C[C@@H](O)C(=O)O M23238 [1,1,0,0,0,0|2,0,0]=4 40 B5R0.5 C[C@H](O)C(=O)O M19665 [1,1,0,0,0,0|2,0,0]=4 41 B7R0.8 CS(=O)(=O)CCC#N M21999 [0,2,0,0,0,0|2,0,0]=4 42 B7R0.8 NCCCS(=O)(=O)O M14268 [0,2,0,0,0,0|1,0,0]=3 43 B7R0.8 NCCOP(=O)(O)O M19543 [0,2,0,0,0,0|1,0,1]=4 44 B7R0.18 COP(=O)(OC)OC M21553 [0,2,0,0,0,0|1,0,1]=4 45 B7R1.14 O=S1(=O)CCCN1 M22208 [0,1,0,1,0,0|2,0,0]=4