0 B6R0.5 NCCS(=O)(=O)O D00047 [0,0,0,0,0,0|1,0,0]=1 1 B6R0.5 O=S(=O)([O-])CCS D01459 [0,0,0,0,0,0|0,0,1]=1 2 B5R0.1 CC(O)CCO D10695 [1,0,0,0,0,0|2,1,0]=4 3 B5R0.1 CCCC(=O)[O-] D08998 [1,0,0,0,0,0|2,0,1]=4 4 B5R0.1 CN(C)CCS D03376 [1,0,0,0,0,0|3,0,0]=4 5 B5R0.1 NCCC(=O)O D07561 [1,0,0,0,0,0|2,0,0]=3 6 B5R0.4 C=CS(=O)(=O)[O-] D04825 [1,0,0,0,0,0|0,0,3]=4 7 B5R0.4 CCC(C)(C)O D02931 [1,0,0,0,0,0|3,0,0]=4 8 B5R0.4 O=S(=O)([O-])CI D09213 [1,0,0,0,0,0|1,0,1]=3 9 B7R0.8 CS(=O)(=O)CCC#N D10920 [0,1,0,0,0,0|2,0,0]=3 10 B7R0.8 NCCCS(=O)(=O)O D06202 [0,1,0,0,0,0|1,0,0]=2 11 B4R0.1 CCC(=O)O D02310 [2,0,0,0,0,0|1,0,0]=3 12 B4R0.1 CCC(=O)[O-] D05872 [2,0,0,0,0,0|1,0,1]=4 13 B4R0.1 CCC(=O)[O-] D08440 [2,0,0,0,0,0|1,0,1]=4 14 B4R0.1 NCC(=O)O D00011 [2,0,0,0,0,0|2,0,0]=4 15 B4R0.1 O=C(O)CCl D07677 [2,0,0,0,0,0|2,0,0]=4 16 B4R0.1 O=S(O)C[O-] D05861 [2,0,0,0,0,0|0,1,1]=4 17 B4R0.2 CCCCO D03200 [2,0,0,0,0,0|2,0,0]=4 18 B4R0.3 O=S(=O)(O)O D05963 [2,0,0,0,0,0|0,1,0]=3 19 B4R0.3 O=S(=O)([O-])[O-] D01081 [2,0,0,0,0,0|0,1,1]=4 20 B4R0.3 O=S(=O)([O-])[O-] D01108 [2,0,0,0,0,0|0,1,1]=4 21 B4R0.3 O=S(=O)([O-])[O-] D01724 [2,0,0,0,0,0|0,1,1]=4 22 B4R0.3 O=S(=O)([O-])[O-] D01725 [2,0,0,0,0,0|0,1,1]=4 23 B4R0.3 O=S(=O)([O-])[O-] D01726 [2,0,0,0,0,0|0,1,1]=4 24 B4R0.3 O=S(=O)([O-])[O-] D01732 [2,0,0,0,0,0|0,1,1]=4 25 B4R0.3 O=S(=O)([O-])[O-] D02052 [2,0,0,0,0,0|0,1,1]=4 26 B4R0.3 O=S(=O)([O-])[O-] D02842 [2,0,0,0,0,0|0,1,1]=4 27 B4R0.3 O=S(=O)([O-])[O-] D03613 [2,0,0,0,0,0|0,1,1]=4 28 B4R0.3 O=S(=O)([O-])[O-] D04172 [2,0,0,0,0,0|0,1,1]=4 29 B4R0.3 O=S(=O)([O-])[O-] D04173 [2,0,0,0,0,0|0,1,1]=4 30 B4R0.3 O=S(=O)([O-])[O-] D04854 [2,0,0,0,0,0|0,1,1]=4 31 B4R0.3 O=S(=O)([O-])[O-] D05877 [2,0,0,0,0,0|0,1,1]=4 32 B4R0.3 O=S(=O)([O-])[O-] D06371 [2,0,0,0,0,0|0,1,1]=4 33 B4R0.3 O=S(=O)([O-])[O-] D07565 [2,0,0,0,0,0|0,1,1]=4 34 B4R0.3 O=S(=O)([O-])[O-] D08137 [2,0,0,0,0,0|0,1,1]=4 35 B4R0.3 O=S(=O)([O-])[O-] D08849 [2,0,0,0,0,0|0,1,1]=4 36 B4R0.3 O=S(=O)([O-])[O-] D08853 [2,0,0,0,0,0|0,1,1]=4 37 B4R0.3 O=S(=O)([O-])[O-] D08921 [2,0,0,0,0,0|0,1,1]=4 38 B4R0.3 O=S(=O)([O-])[O-] D08922 [2,0,0,0,0,0|0,1,1]=4 39 B4R0.3 O=S(=O)([O-])[O-] D09201 [2,0,0,0,0,0|0,1,1]=4 40 B4R0.3 O=[35S](=O)([O-])[O-] D05878 [2,0,0,0,0,0|0,1,1]=4 41 B6R0.3 N[C@@H](CO)C(=O)O D00016 [1,1,0,0,0,0|1,1,0]=4 42 B6R0.3 N[C@@H](CS)C(=O)O D00026 [1,1,0,0,0,0|1,0,0]=3 43 B6R0.3 N[C@@H](CS)C(=O)O D02326 [1,1,0,0,0,0|1,0,0]=3 44 B6R0.4 NCCCC(=O)O D00058 [1,1,0,0,0,0|2,0,0]=4