0 B4R0.1 CC(=O)NO DB00551 [0,0,0,0,0,0|3,0,0]=3 1 B4R0.1 CC(O)CO DB01839 [0,0,0,0,0,0|2,0,1]=3 2 B4R0.1 NC(=O)NO DB01005 [0,0,0,0,0,0|3,0,0]=3 3 B4R0.1 NCC(O)=O DB00145 [0,0,0,0,0,0|1,0,0]=1 4 B4R0.1 OCC(O)=O DB03085 [0,0,0,0,0,0|1,0,0]=1 5 B3R0.1 NCCS DB00847 [1,0,0,0,0,0|1,1,1]=4 6 B3R0.2 CC(C)O DB02325 [1,0,0,0,0,0|1,0,1]=3 7 B3R0.2 CC(O)=O DB03166 [1,0,0,0,0,0|0,0,0]=1 8 B3R0.2 CC([O-])=O DB00258 [1,0,0,0,0,0|0,0,1]=2 9 B3R0.2 CC([O-])=O DB09395 [1,0,0,0,0,0|0,0,1]=2 10 B3R0.2 CS(C)=O DB01093 [1,0,0,0,0,0|2,0,0]=3 11 B3R0.2 NC(N)=N DB00536 [1,0,0,0,0,0|3,0,0]=4 12 B3R0.2 NC(O)=N DB11129 [1,0,0,0,0,0|2,0,0]=3 13 B3R0.2 N[13C](O)=N DB09510 [1,0,0,0,0,0|2,0,0]=3 14 B3R0.2 N[14C](N)=O DB09513 [1,0,0,0,0,0|2,0,0]=3 15 B3R0.2 OB(O)O DB11326 [1,0,0,0,0,0|2,0,1]=4 16 B3R0.2 OC([O-])=O DB01390 [1,0,0,0,0,0|1,0,0]=2 17 B3R0.2 OC([O-])=O DB11098 [1,0,0,0,0,0|1,0,0]=2 18 B3R0.2 [O-]C([O-])=O DB06724 [1,0,0,0,0,0|1,0,1]=3 19 B3R0.2 [O-]C([O-])=O DB06792 [1,0,0,0,0,0|1,0,1]=3 20 B3R0.2 [O-]C([O-])=O DB09481 [1,0,0,0,0,0|1,0,1]=3 21 B3R0.2 [O-][N+]([O-])=O DB05260 [1,0,0,0,0,0|2,0,1]=4 22 B3R0.2 [O-][N+]([O-])=O DB11090 [1,0,0,0,0,0|2,0,1]=4 23 B5R0.3 OCC(O)CO DB09462 [0,1,0,0,0,0|1,0,2]=4 24 B5R0.3 OCC(S)CS DB06782 [0,1,0,0,0,0|1,1,1]=4 25 B5R0.5 CC(=O)C(O)=O DB00119 [0,1,0,0,0,0|0,0,1]=2 26 B5R0.5 CC(O)C(O)=O DB04398 [0,1,0,0,0,0|0,0,0]=1 27 B5R0.5 CC(O)C([O-])=O DB06768 [0,1,0,0,0,0|0,0,1]=2 28 B5R0.5 C[C@H](N)C(O)=O DB00160 [0,1,0,0,0,0|0,0,0]=1 29 B5R1.3 ClCC1CO1 DB00658 [0,0,0,1,0,0|2,0,1]=4 30 B2R0.1 CCO DB00898 [2,0,0,0,0,0|0,0,0]=2 31 B2R0.1 O=C=O DB09157 [2,0,0,0,0,0|0,0,2]=4 32 B2R0.1 O=[Ti]=O DB09536 [2,0,0,0,0,0|1,0,1]=4 33 B2R0.1 [O-]N=O DB09112 [2,0,0,0,0,0|1,0,1]=4 34 B4R0.3 OP(O)(O)=O DB09394 [1,1,0,0,0,0|2,0,0]=4 35 B4R0.3 OP(O)([O-])=O DB09413 [1,1,0,0,0,0|2,0,0]=4 36 B4R0.3 OP(O)([O-])=O DB09449 [1,1,0,0,0,0|2,0,0]=4 37 B4R0.3 OP([O-])([O-])=O DB09414 [1,1,0,0,0,0|2,0,0]=4 38 B4R0.3 OS(O)(=O)=S DB09499 [1,1,0,0,0,0|2,0,0]=4 39 B6R0.3 N[C@@H](CO)C(O)=O DB00133 [0,2,0,0,0,0|0,0,0]=2 40 B6R0.3 N[C@@H](CS)C(O)=O DB00151 [0,2,0,0,0,0|0,0,0]=2 41 B6R0.4 OCCCC([O-])=O DB09072 [0,2,0,0,0,0|0,0,1]=3 42 B6R0.5 NCCS(O)(=O)=O DB01956 [0,2,0,0,0,0|1,0,0]=3 43 B6R0.5 OS(=O)(=O)CCS DB09110 [0,2,0,0,0,0|1,0,0]=3 44 B6R0.7 OC(=O)P(O)(O)=O DB00529 [0,2,0,0,0,0|2,0,0]=4