0 B5R0.5 CC(=O)C(=O)O DB00119 [0,0,0,0,0,0|0,0,2]=2 1 B5R0.5 CC(O)C(=O)O DB04398 [0,0,0,0,0,0|0,0,0]=0 2 B5R0.5 CC(O)C(=O)[O-] DB06768 [0,0,0,0,0,0|0,0,1]=1 3 B5R0.5 CC(O)C(=O)[O-] DB13231 [0,0,0,0,0,0|0,0,1]=1 4 B5R0.5 C[C@H](N)C(=O)O DB00160 [0,0,0,0,0,0|1,0,0]=1 5 B5R0.5 O=C(O)C(Cl)Cl DB08809 [0,0,0,0,0,0|2,0,0]=2 6 B4R0.1 CC(=O)NO DB00551 [1,0,0,0,0,0|2,0,0]=3 7 B4R0.1 CC(O)CO DB01839 [1,0,0,0,0,0|0,0,1]=2 8 B4R0.1 CCC(=O)O DB03766 [1,0,0,0,0,0|0,0,0]=1 9 B4R0.1 NC(=O)NO DB01005 [1,0,0,0,0,0|2,0,0]=3 10 B4R0.1 NCC(=O)O DB00145 [1,0,0,0,0,0|1,0,0]=2 11 B4R0.1 NCC(=O)[O-] DB11189 [1,0,0,0,0,0|1,0,1]=3 12 B4R0.1 NCC(=O)[O-] DB11200 [1,0,0,0,0,0|1,0,1]=3 13 B4R0.1 NCC(=O)[O-] DB11210 [1,0,0,0,0,0|1,0,1]=3 14 B4R0.1 O=C(O)CO DB03085 [1,0,0,0,0,0|0,0,0]=1 15 B6R0.3 N[C@@H](CO)C(=O)O DB00133 [0,1,0,0,0,0|1,0,0]=2 16 B6R0.3 N[C@@H](CS)C(=O)O DB00151 [0,1,0,0,0,0|1,0,0]=2 17 B6R0.3 N[C@H](CO)C(=O)O DB03929 [0,1,0,0,0,0|1,0,0]=2 18 B6R0.3 [C@H](N)(CS)C(=O)O DB11197 [0,1,0,0,0,0|1,0,0]=2 19 B6R0.7 O=C(O)P(=O)(O)O DB00529 [0,1,0,0,0,0|2,0,0]=3 20 B3R0.1 CCCO DB03175 [2,0,0,0,0,0|0,0,1]=3 21 B3R0.1 O=BOO DB13235 [2,0,0,0,0,0|2,0,0]=4 22 B3R0.2 CC(=O)O DB03166 [2,0,0,0,0,0|0,0,0]=2 23 B3R0.2 CC(=O)[O-] DB00258 [2,0,0,0,0,0|0,0,1]=3 24 B3R0.2 CC(=O)[O-] DB09395 [2,0,0,0,0,0|0,0,1]=3 25 B3R0.2 CC(=O)[O-] DB09409 [2,0,0,0,0,0|0,0,1]=3 26 B3R0.2 CC(=O)[O-] DB13996 [2,0,0,0,0,0|0,0,1]=3 27 B3R0.2 CC(C)O DB02325 [2,0,0,0,0,0|0,0,1]=3 28 B3R0.2 CS(C)=O DB01093 [2,0,0,0,0,0|2,0,0]=4 29 B3R0.2 N=C(N)O DB11129 [2,0,0,0,0,0|2,0,0]=4 30 B3R0.2 N=[13C](N)O DB09510 [2,0,0,0,0,0|2,0,0]=4 31 B3R0.2 NC(N)=O DB03904 [2,0,0,0,0,0|2,0,0]=4 32 B3R0.2 N[14C](N)=O DB09513 [2,0,0,0,0,0|2,0,0]=4 33 B3R0.2 O=C([O-])O DB01390 [2,0,0,0,0,0|0,0,1]=3 34 B3R0.2 O=C([O-])O DB11098 [2,0,0,0,0,0|0,0,1]=3 35 B3R0.2 O=C([O-])[O-] DB06724 [2,0,0,0,0,0|0,0,2]=4 36 B3R0.2 O=C([O-])[O-] DB06792 [2,0,0,0,0,0|0,0,2]=4 37 B3R0.2 O=C([O-])[O-] DB09460 [2,0,0,0,0,0|0,0,2]=4 38 B3R0.2 O=C([O-])[O-] DB09481 [2,0,0,0,0,0|0,0,2]=4 39 B3R0.2 O=C([O-])[O-] DB13322 [2,0,0,0,0,0|0,0,2]=4 40 B3R0.2 O=C([O-])[O-] DB13977 [2,0,0,0,0,0|0,0,2]=4 41 B3R0.2 O=S([O-])O DB14015 [2,0,0,0,0,0|1,0,1]=4 42 B3R0.2 O=[Se](O)O DB11127 [2,0,0,0,0,0|1,0,0]=3 43 B3R0.2 OB(O)O DB11326 [2,0,0,0,0,0|1,0,1]=4 44 B5R0.3 OCC(O)CO DB09462 [1,1,0,0,0,0|0,0,1]=3 45 B5R0.3 OCC(S)CS DB06782 [1,1,0,0,0,0|0,1,1]=4 46 B7R0.16 CC(C)[C@H](N)C(=O)O DB00161 [0,1,0,0,0,1|1,0,0]=3 47 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O DB00156 [0,1,0,0,0,1|0,0,0]=2 48 B5R1.2 O=C1CCO1 DB09348 [1,0,0,1,0,0|0,0,0]=2 49 B5R1.3 ClCC1CO1 DB00658 [1,0,0,1,0,0|1,0,1]=4 50 B7R1.4 N[C@@H]1CONC1=O DB00260 [0,1,0,1,0,0|1,0,0]=3 51 B7R0.6 O=C(O)CCC(=O)O DB00139 [0,0,0,0,0,2|1,0,1]=4