0 B4R0.1 CC(=O)NO DB00551 [1,0,0,0,0,0|2,0,0]=3 1 B4R0.1 CC(O)CO DB01839 [1,0,0,0,0,0|1,0,1]=3 2 B4R0.1 CCC(=O)O DB03766 [1,0,0,0,0,0|2,0,1]=4 3 B4R0.1 ClC=C(Cl)Cl DB13323 [1,0,0,0,0,0|3,0,0]=4 4 B4R0.1 NC(=O)NO DB01005 [1,0,0,0,0,0|3,0,0]=4 5 B4R0.1 NCC(=O)O DB00145 [1,0,0,0,0,0|3,0,0]=4 6 B4R0.1 NCC(=O)[O-] DB11189 [1,0,0,0,0,0|3,0,0]=4 7 B4R0.1 NCC(=O)[O-] DB11200 [1,0,0,0,0,0|3,0,0]=4 8 B4R0.1 NCC(=O)[O-] DB11210 [1,0,0,0,0,0|3,0,0]=4 9 B4R0.1 O=C(O)CO DB03085 [1,0,0,0,0,0|2,0,0]=3 10 B6R0.1 CNC(=S)NCO DB13838 [0,1,0,0,0,0|2,0,0]=3 11 B6R0.3 N[C@@H](CO)C(=O)O DB00133 [0,1,0,0,0,0|2,0,1]=4 12 B6R0.3 N[C@H](CO)C(=O)O DB03929 [0,1,0,0,0,0|2,0,1]=4 13 B6R0.4 O=C([O-])CCCO DB01440 [0,1,0,0,0,0|2,0,1]=4 14 B6R0.4 O=C([O-])CCCO DB09072 [0,1,0,0,0,0|2,0,1]=4 15 B6R0.5 C[N+](C)(C)CCO DB00122 [0,1,0,0,0,0|1,0,1]=3 16 B6R0.5 C[N+](C)([11CH3])CCO DB09277 [0,1,0,0,0,0|1,0,1]=3 17 B6R0.5 C[N+](C)([11CH3])CCO DB09563 [0,1,0,0,0,0|1,0,1]=3 18 B6R1.2 CC1=CNN=C1 DB01213 [0,0,0,1,0,0|2,0,1]=4 19 B3R0.1 CCCO DB03175 [2,0,0,0,0,0|0,0,1]=3 20 B3R0.2 CC(=O)O DB03166 [2,0,0,0,0,0|1,0,0]=3 21 B3R0.2 CC(=O)[O-] DB00258 [2,0,0,0,0,0|1,0,1]=4 22 B3R0.2 CC(=O)[O-] DB09395 [2,0,0,0,0,0|1,0,1]=4 23 B3R0.2 CC(=O)[O-] DB09409 [2,0,0,0,0,0|1,0,1]=4 24 B3R0.2 CC(=O)[O-] DB13996 [2,0,0,0,0,0|1,0,1]=4 25 B3R0.2 CC(C)O DB02325 [2,0,0,0,0,0|0,0,1]=3 26 B3R0.2 CS(C)=O DB01093 [2,0,0,0,0,0|1,0,1]=4 27 B3R0.2 N=C(N)O DB11129 [2,0,0,0,0,0|2,0,0]=4 28 B3R0.2 N=[13C](N)O DB09510 [2,0,0,0,0,0|2,0,0]=4 29 B3R0.2 O=C([O-])O DB01390 [2,0,0,0,0,0|2,0,0]=4 30 B3R0.2 O=C([O-])O DB11098 [2,0,0,0,0,0|2,0,0]=4 31 B5R0.3 OCC(O)CO DB09462 [1,1,0,0,0,0|1,0,1]=4 32 B5R0.3 OCC(S)CS DB06782 [1,1,0,0,0,0|1,0,1]=4 33 B5R0.5 CC(=O)C(=O)O DB00119 [1,1,0,0,0,0|1,0,0]=3 34 B5R0.5 CC(O)C(=O)O DB04398 [1,1,0,0,0,0|1,0,1]=4 35 B5R0.5 CC(O)C(=O)[O-] DB06768 [1,1,0,0,0,0|2,0,0]=4 36 B5R0.5 CC(O)C(=O)[O-] DB13231 [1,1,0,0,0,0|2,0,0]=4 37 B5R0.5 C[C@H](N)C(=O)O DB00160 [1,1,0,0,0,0|1,0,1]=4 38 B5R1.2 O=C1CCO1 DB09348 [1,0,0,1,0,0|2,0,0]=4