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 CCC(=O)O DB03766 [0,0,0,0,0,0|1,0,0]=1 3 B4R0.1 ClC=C(Cl)Cl DB13323 [0,0,0,0,0,0|3,0,1]=4 4 B4R0.1 NC(=O)NO DB01005 [0,0,0,0,0,0|3,0,0]=3 5 B4R0.1 NCC(=O)O DB00145 [0,0,0,0,0,0|0,0,0]=0 6 B4R0.1 NCC(=O)[O-] DB11189 [0,0,0,0,0,0|0,0,1]=1 7 B4R0.1 NCC(=O)[O-] DB11200 [0,0,0,0,0,0|0,0,1]=1 8 B4R0.1 NCC(=O)[O-] DB11210 [0,0,0,0,0,0|0,0,1]=1 9 B4R0.1 O=C(O)CO DB03085 [0,0,0,0,0,0|1,0,0]=1 10 B4R0.1 O=[N+]([O-])O[Ag] DB11080 [0,0,0,0,0,0|3,0,1]=4 11 B3R0.1 CCCO DB03175 [1,0,0,0,0,0|1,0,1]=3 12 B3R0.1 NCCS DB00847 [1,0,0,0,0,0|0,1,1]=3 13 B3R0.1 O=BOO DB13235 [1,0,0,0,0,0|3,0,0]=4 14 B3R0.2 CC(=O)O DB03166 [1,0,0,0,0,0|0,0,0]=1 15 B3R0.2 CC(=O)[O-] DB00258 [1,0,0,0,0,0|0,0,1]=2 16 B3R0.2 CC(=O)[O-] DB09395 [1,0,0,0,0,0|0,0,1]=2 17 B3R0.2 CC(=O)[O-] DB09409 [1,0,0,0,0,0|0,0,1]=2 18 B3R0.2 CC(=O)[O-] DB13996 [1,0,0,0,0,0|0,0,1]=2 19 B3R0.2 CC(C)O DB02325 [1,0,0,0,0,0|1,0,1]=3 20 B3R0.2 CS(C)=O DB01093 [1,0,0,0,0,0|2,0,0]=3 21 B3R0.2 N=C(N)N DB00536 [1,0,0,0,0,0|2,0,0]=3 22 B3R0.2 N=C(N)O DB11129 [1,0,0,0,0,0|1,0,0]=2 23 B3R0.2 N=[13C](N)O DB09510 [1,0,0,0,0,0|1,0,0]=2 24 B3R0.2 NC(N)=O DB03904 [1,0,0,0,0,0|1,0,0]=2 25 B3R0.2 N[14C](N)=O DB09513 [1,0,0,0,0,0|1,0,0]=2 26 B3R0.2 O=C([O-])O DB01390 [1,0,0,0,0,0|1,0,0]=2 27 B3R0.2 O=C([O-])O DB11098 [1,0,0,0,0,0|1,0,0]=2 28 B3R0.2 O=C([O-])[O-] DB06724 [1,0,0,0,0,0|1,0,1]=3 29 B3R0.2 O=C([O-])[O-] DB06792 [1,0,0,0,0,0|1,0,1]=3 30 B3R0.2 O=C([O-])[O-] DB09460 [1,0,0,0,0,0|1,0,1]=3 31 B3R0.2 O=C([O-])[O-] DB09481 [1,0,0,0,0,0|1,0,1]=3 32 B3R0.2 O=C([O-])[O-] DB13322 [1,0,0,0,0,0|1,0,1]=3 33 B3R0.2 O=C([O-])[O-] DB13977 [1,0,0,0,0,0|1,0,1]=3 34 B3R0.2 O=S([O-])O DB14015 [1,0,0,0,0,0|2,0,0]=3 35 B3R0.2 O=[N+]([O-])[O-] DB05260 [1,0,0,0,0,0|2,0,1]=4 36 B3R0.2 O=[N+]([O-])[O-] DB11090 [1,0,0,0,0,0|2,0,1]=4 37 B3R0.2 O=[N+]([O-])[O-] DB13209 [1,0,0,0,0,0|2,0,1]=4 38 B3R0.2 O=[Se](O)O DB11127 [1,0,0,0,0,0|2,0,0]=3 39 B3R0.2 O=[Si]([O-])[O-] DB14116 [1,0,0,0,0,0|1,1,1]=4 40 B3R0.2 OB(O)O DB11326 [1,0,0,0,0,0|2,0,1]=4 41 B5R0.3 OCC(O)CO DB09462 [0,1,0,0,0,0|1,0,2]=4 42 B5R0.3 OCC(S)CS DB06782 [0,1,0,0,0,0|1,1,1]=4 43 B5R0.5 CC(=O)C(=O)O DB00119 [0,1,0,0,0,0|1,0,1]=3 44 B5R0.5 CC(O)C(=O)O DB04398 [0,1,0,0,0,0|1,0,0]=2 45 B5R0.5 CC(O)C(=O)[O-] DB06768 [0,1,0,0,0,0|1,0,1]=3 46 B5R0.5 CC(O)C(=O)[O-] DB13231 [0,1,0,0,0,0|1,0,1]=3 47 B5R0.5 C[C@H](N)C(=O)O DB00160 [0,1,0,0,0,0|0,0,0]=1 48 B5R0.5 O=C(O)C(Cl)Cl DB08809 [0,1,0,0,0,0|1,0,0]=2 49 B5R1.2 O=C1CCO1 DB09348 [0,0,0,1,0,0|1,0,0]=2 50 B5R1.3 ClCC1CO1 DB00658 [0,0,0,1,0,0|2,0,1]=4 51 B2R0.1 CCCl DB13259 [2,0,0,0,0,0|1,0,1]=4 52 B2R0.1 CCO DB00898 [2,0,0,0,0,0|0,0,1]=3 53 B2R0.1 O=C=O DB09157 [2,0,0,0,0,0|0,0,2]=4 54 B2R0.1 O=CO DB01942 [2,0,0,0,0,0|0,0,0]=2 55 B2R0.1 O=Cl[O-] DB05389 [2,0,0,0,0,0|1,0,1]=4 56 B2R0.1 O=NO DB09112 [2,0,0,0,0,0|1,0,0]=3 57 B2R0.1 O=N[O-] DB12529 [2,0,0,0,0,0|1,0,1]=4 58 B2R0.1 O=[Si]=O DB11132 [2,0,0,0,0,0|0,1,1]=4 59 B2R0.1 O=[Ti]=O DB09536 [2,0,0,0,0,0|1,0,1]=4 60 B4R0.3 O=P(O)(O)O DB09394 [1,1,0,0,0,0|2,0,0]=4 61 B4R0.3 O=P([O-])(O)O DB09413 [1,1,0,0,0,0|2,0,0]=4 62 B4R0.3 O=P([O-])(O)O DB09449 [1,1,0,0,0,0|2,0,0]=4 63 B4R0.3 O=P([O-])([O-])O DB09414 [1,1,0,0,0,0|2,0,0]=4 64 B4R0.3 O=S(O)(O)=S DB09499 [1,1,0,0,0,0|2,0,0]=4 65 B4R0.3 O=[Se](=O)(O)O DB11068 [1,1,0,0,0,0|2,0,0]=4 66 B6R0.3 N[C@@H](CO)C(=O)O DB00133 [0,2,0,0,0,0|0,0,0]=2 67 B6R0.3 N[C@@H](CS)C(=O)O DB00151 [0,2,0,0,0,0|0,0,0]=2 68 B6R0.3 N[C@H](CO)C(=O)O DB03929 [0,2,0,0,0,0|0,0,0]=2 69 B6R0.3 [C@H](N)(CS)C(=O)O DB11197 [0,2,0,0,0,0|0,0,0]=2 70 B6R0.4 NCCCC(=O)O DB02530 [0,2,0,0,0,0|0,0,0]=2 71 B6R0.4 O=C([O-])CCCO DB01440 [0,2,0,0,0,0|1,0,1]=4 72 B6R0.4 O=C([O-])CCCO DB09072 [0,2,0,0,0,0|1,0,1]=4 73 B6R0.5 NCCS(=O)(=O)O DB01956 [0,2,0,0,0,0|1,0,0]=3 74 B6R0.5 O=S(=O)(O)CCS DB09110 [0,2,0,0,0,0|2,0,0]=4 75 B6R0.7 O=C(O)P(=O)(O)O DB00529 [0,2,0,0,0,0|2,0,0]=4