0 B4R0.1 CC(=O)NO DB00551 [1,0,0,0,0,0|3,0,0]=4 1 B4R0.1 CCC(=O)O DB03766 [1,0,0,0,0,0|0,0,1]=2 2 B4R0.1 ClC=C(Cl)Cl DB13323 [1,0,0,0,0,0|3,0,0]=4 3 B4R0.1 NC(=O)NO DB01005 [1,0,0,0,0,0|3,0,0]=4 4 B4R0.1 NCC(=O)O DB00145 [1,0,0,0,0,0|1,0,1]=3 5 B4R0.1 NCC(=O)[O-] DB11189 [1,0,0,0,0,0|1,0,2]=4 6 B4R0.1 NCC(=O)[O-] DB11200 [1,0,0,0,0,0|1,0,2]=4 7 B4R0.1 NCC(=O)[O-] DB11210 [1,0,0,0,0,0|1,0,2]=4 8 B4R0.1 O=C(O)CO DB03085 [1,0,0,0,0,0|1,0,1]=3 9 B6R0.3 N[C@@H](CO)C(=O)O DB00133 [0,1,0,0,0,0|1,0,2]=4 10 B6R0.3 N[C@@H](CS)C(=O)O DB00151 [0,1,0,0,0,0|1,0,2]=4 11 B6R0.3 N[C@H](CO)C(=O)O DB03929 [0,1,0,0,0,0|1,0,2]=4 12 B6R0.3 [C@H](N)(CS)C(=O)O DB11197 [0,1,0,0,0,0|1,0,2]=4 13 B6R0.4 NCCCC(=O)O DB02530 [0,1,0,0,0,0|0,0,2]=3 14 B6R0.4 O=C([O-])CCCO DB01440 [0,1,0,0,0,0|0,0,3]=4 15 B6R0.4 O=C([O-])CCCO DB09072 [0,1,0,0,0,0|0,0,3]=4 16 B3R0.1 CCCO DB03175 [2,0,0,0,0,0|0,0,2]=4 17 B3R0.2 CC(=O)O DB03166 [2,0,0,0,0,0|0,0,0]=2 18 B3R0.2 CC(=O)[O-] DB00258 [2,0,0,0,0,0|0,0,1]=3 19 B3R0.2 CC(=O)[O-] DB09395 [2,0,0,0,0,0|0,0,1]=3 20 B3R0.2 CC(=O)[O-] DB09409 [2,0,0,0,0,0|0,0,1]=3 21 B3R0.2 CC(=O)[O-] DB13996 [2,0,0,0,0,0|0,0,1]=3 22 B3R0.2 CC(C)O DB02325 [2,0,0,0,0,0|1,0,1]=4 23 B3R0.2 CS(C)=O DB01093 [2,0,0,0,0,0|2,0,0]=4 24 B3R0.2 N=C(N)O DB11129 [2,0,0,0,0,0|2,0,0]=4 25 B3R0.2 N=[13C](N)O DB09510 [2,0,0,0,0,0|2,0,0]=4 26 B3R0.2 NC(N)=O DB03904 [2,0,0,0,0,0|2,0,0]=4 27 B3R0.2 N[14C](N)=O DB09513 [2,0,0,0,0,0|2,0,0]=4 28 B3R0.2 O=C([O-])O DB01390 [2,0,0,0,0,0|1,0,0]=3 29 B3R0.2 O=C([O-])O DB11098 [2,0,0,0,0,0|1,0,0]=3 30 B3R0.2 O=C([O-])[O-] DB06724 [2,0,0,0,0,0|1,0,1]=4 31 B3R0.2 O=C([O-])[O-] DB06792 [2,0,0,0,0,0|1,0,1]=4 32 B3R0.2 O=C([O-])[O-] DB09460 [2,0,0,0,0,0|1,0,1]=4 33 B3R0.2 O=C([O-])[O-] DB09481 [2,0,0,0,0,0|1,0,1]=4 34 B3R0.2 O=C([O-])[O-] DB13322 [2,0,0,0,0,0|1,0,1]=4 35 B3R0.2 O=C([O-])[O-] DB13977 [2,0,0,0,0,0|1,0,1]=4 36 B3R0.2 O=S([O-])O DB14015 [2,0,0,0,0,0|2,0,0]=4 37 B3R0.2 O=[Se](O)O DB11127 [2,0,0,0,0,0|2,0,0]=4 38 B5R0.5 CC(=O)C(=O)O DB00119 [1,1,0,0,0,0|0,0,0]=2 39 B5R0.5 CC(O)C(=O)O DB04398 [1,1,0,0,0,0|0,0,1]=3 40 B5R0.5 CC(O)C(=O)[O-] DB06768 [1,1,0,0,0,0|0,0,2]=4 41 B5R0.5 CC(O)C(=O)[O-] DB13231 [1,1,0,0,0,0|0,0,2]=4 42 B5R0.5 C[C@H](N)C(=O)O DB00160 [1,1,0,0,0,0|0,0,1]=3 43 B5R0.5 O=C(O)C(Cl)Cl DB08809 [1,1,0,0,0,0|1,0,1]=4 44 B7R0.16 CC(C)[C@H](N)C(=O)O DB00161 [0,2,0,0,0,0|0,0,2]=4 45 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O DB00156 [0,2,0,0,0,0|0,0,2]=4 46 B7R0.6 CC(=O)CCC(=O)[O-] DB13800 [0,2,0,0,0,0|0,0,2]=4 47 B7R0.6 O=C(O)CCC(=O)O DB00139 [0,2,0,0,0,0|1,0,1]=4 48 B5R1.2 O=C1CCO1 DB09348 [1,0,0,1,0,0|0,0,1]=3 49 B7R1.3 OC1=CC=CC=C1 DB03255 [0,1,0,1,0,0|1,0,1]=4