0 B4R0.1 CC(=O)NO DB00551 [0,0,0,0,0,0|1,0,2]=3 1 B4R0.1 CC(O)CO DB01839 [0,0,0,0,0,0|0,0,0]=0 2 B4R0.1 CCC(=O)O DB03766 [0,0,0,0,0,0|2,0,1]=3 3 B4R0.1 NC(=O)NO DB01005 [0,0,0,0,0,0|2,0,2]=4 4 B4R0.1 NCC(=O)O DB00145 [0,0,0,0,0,0|2,0,1]=3 5 B4R0.1 NCC(=O)[O-] DB11189 [0,0,0,0,0,0|2,0,2]=4 6 B4R0.1 NCC(=O)[O-] DB11200 [0,0,0,0,0,0|2,0,2]=4 7 B4R0.1 NCC(=O)[O-] DB11210 [0,0,0,0,0,0|2,0,2]=4 8 B4R0.1 O=C(O)CO DB03085 [0,0,0,0,0,0|1,0,1]=2 9 B3R0.1 CCCO DB03175 [1,0,0,0,0,0|0,0,0]=1 10 B3R0.1 NCCS DB00847 [1,0,0,0,0,0|1,1,0]=3 11 B3R0.1 O=BOO DB13235 [1,0,0,0,0,0|2,0,1]=4 12 B3R0.2 C(I)(I)I DB13813 [1,0,0,0,0,0|3,0,0]=4 13 B3R0.2 CC(=O)O DB03166 [1,0,0,0,0,0|0,0,2]=3 14 B3R0.2 CC(=O)[O-] DB00258 [1,0,0,0,0,0|0,0,3]=4 15 B3R0.2 CC(=O)[O-] DB09395 [1,0,0,0,0,0|0,0,3]=4 16 B3R0.2 CC(=O)[O-] DB09409 [1,0,0,0,0,0|0,0,3]=4 17 B3R0.2 CC(=O)[O-] DB13996 [1,0,0,0,0,0|0,0,3]=4 18 B3R0.2 CC(C)O DB02325 [1,0,0,0,0,0|0,0,0]=1 19 B3R0.2 CS(C)=O DB01093 [1,0,0,0,0,0|1,0,1]=3 20 B3R0.2 N=C(N)O DB11129 [1,0,0,0,0,0|2,0,1]=4 21 B3R0.2 N=[13C](N)O DB09510 [1,0,0,0,0,0|2,0,1]=4 22 B3R0.2 O=C([O-])O DB01390 [1,0,0,0,0,0|1,0,2]=4 23 B3R0.2 O=C([O-])O DB11098 [1,0,0,0,0,0|1,0,2]=4 24 B3R0.2 O=S([O-])O DB14015 [1,0,0,0,0,0|2,0,1]=4 25 B3R0.2 O=[Se](O)O DB11127 [1,0,0,0,0,0|2,0,0]=3 26 B3R0.2 OB(O)O DB11326 [1,0,0,0,0,0|2,0,0]=3 27 B5R0.3 OCC(O)CO DB09462 [0,1,0,0,0,0|0,0,0]=1 28 B5R0.3 OCC(S)CS DB06782 [0,1,0,0,0,0|0,1,0]=2 29 B5R0.4 FCC(F)(F)F DB13116 [0,1,0,0,0,0|3,0,0]=4 30 B5R0.5 CC(=O)C(=O)O DB00119 [0,1,0,0,0,0|0,0,3]=4 31 B5R0.5 CC(O)C(=O)O DB04398 [0,1,0,0,0,0|0,0,1]=2 32 B5R0.5 CC(O)C(=O)[O-] DB06768 [0,1,0,0,0,0|0,0,2]=3 33 B5R0.5 CC(O)C(=O)[O-] DB13231 [0,1,0,0,0,0|0,0,2]=3 34 B5R0.5 C[C@H](N)C(=O)O DB00160 [0,1,0,0,0,0|1,0,1]=3 35 B5R0.5 O=C(O)C(Cl)Cl DB08809 [0,1,0,0,0,0|2,0,1]=4 36 B5R1.2 O=C1CCO1 DB09348 [0,0,0,1,0,0|2,0,1]=4 37 B5R1.3 ClCC1CO1 DB00658 [0,0,0,1,0,0|1,0,0]=2 38 B2R0.1 CCCl DB13259 [2,0,0,0,0,0|1,0,0]=3 39 B2R0.1 CCO DB00898 [2,0,0,0,0,0|0,0,0]=2 40 B2R0.1 O=CO DB01942 [2,0,0,0,0,0|0,0,2]=4 41 B2R0.1 O=NO DB09112 [2,0,0,0,0,0|1,0,1]=4 42 B4R0.3 O=P(O)(O)O DB09394 [1,1,0,0,0,0|2,0,0]=4 43 B4R0.3 O=P([O-])(O)O DB09413 [1,1,0,0,0,0|2,0,0]=4 44 B4R0.3 O=P([O-])(O)O DB09449 [1,1,0,0,0,0|2,0,0]=4 45 B4R0.3 O=S(O)(O)=S DB09499 [1,1,0,0,0,0|2,0,0]=4 46 B4R0.3 O=[Se](=O)(O)O DB11068 [1,1,0,0,0,0|2,0,0]=4 47 B6R0.1 CNC(=S)NCO DB13838 [0,2,0,0,0,0|0,1,1]=4 48 B6R0.3 N[C@@H](CO)C(=O)O DB00133 [0,2,0,0,0,0|1,0,0]=3 49 B6R0.3 N[C@@H](CS)C(=O)O DB00151 [0,2,0,0,0,0|1,0,1]=4 50 B6R0.3 N[C@H](CO)C(=O)O DB03929 [0,2,0,0,0,0|1,0,0]=3 51 B6R0.3 [C@H](N)(CS)C(=O)O DB11197 [0,2,0,0,0,0|1,0,1]=4 52 B6R0.5 C[N+](C)(C)CCO DB00122 [0,2,0,0,0,0|2,0,0]=4 53 B6R0.5 C[N+](C)([11CH3])CCO DB09277 [0,2,0,0,0,0|2,0,0]=4 54 B6R0.5 C[N+](C)([11CH3])CCO DB09563 [0,2,0,0,0,0|2,0,0]=4 55 B6R0.7 OC(O)C(Cl)(Cl)Cl DB01563 [0,2,0,0,0,0|2,0,0]=4