0 B3R0.2 C(=N)(N)N G0028 [0,0,0,0,0,0|3,0,0]=3 1 B3R0.2 C(=N)(N)N G0029 [0,0,0,0,0,0|3,0,0]=3 2 B3R0.2 C(=O)(O)O 5809 [0,0,0,0,0,0|1,0,0]=1 3 B3R0.2 C(=O)([O-])[O-] 8816 [0,0,0,0,0,0|1,0,1]=2 4 B3R0.2 CC(Cl)Cl 6701 [0,0,0,0,0,0|2,0,1]=3 5 B3R0.2 CS(=O)O 5013 [0,0,0,0,0,0|1,0,0]=1 6 B2R0.1 C(I)I 9405 [1,0,0,0,0,0|2,0,1]=4 7 B2R0.1 CCI 10444 [1,0,0,0,0,0|1,0,1]=3 8 B2R0.1 CON 6780 [1,0,0,0,0,0|2,0,0]=3 9 B4R0.1 B(CC)(O)O 5199 [0,1,0,0,0,0|1,0,1]=3 10 B4R0.1 C(=NN)(N)N 8253 [0,1,0,0,0,0|3,0,0]=4 11 B4R0.1 C(=O)(N)NN 5932 [0,1,0,0,0,0|2,0,0]=3 12 B4R0.1 C(=O)(N)NO 10448 [0,1,0,0,0,0|1,0,0]=2 13 B4R0.1 C(C(=O)N)Br 9173 [0,1,0,0,0,0|1,0,0]=2 14 B4R0.1 C(C(=O)N)Cl 6815 [0,1,0,0,0,0|1,0,0]=2 15 B4R0.1 C(C(=O)N)N 5258 [0,1,0,0,0,0|1,0,0]=2 16 B4R0.1 C(C(=O)O)Cl 8290 [0,1,0,0,0,0|0,0,0]=1 17 B4R0.1 C(C(=O)O)O G0026 [0,1,0,0,0,0|0,0,0]=1 18 B4R0.1 C(C(F)F)I 5445 [0,1,0,0,0,0|2,0,1]=4 19 B4R0.1 C=C(C#N)Cl 8628 [0,1,0,0,0,0|2,0,1]=4 20 B4R0.1 CC(CO)N 6831 [0,1,0,0,0,0|1,0,1]=3 21 B4R0.1 CCC(=O)N 8889 [0,1,0,0,0,0|1,0,0]=2 22 B4R0.1 CCS(=O)[O-] 8969 [0,1,0,0,0,0|1,0,1]=3 23 B4R0.1 C[C@H](CO)N 5724 [0,1,0,0,0,0|1,0,1]=3 24 B4R0.3 C[N+](C)(C)C 5995 [0,1,0,0,0,0|3,0,0]=4 25 B4R0.3 NS(=O)(=O)N 9906 [0,1,0,0,0,0|2,0,1]=4 26 B4R1.2 C1CC1N 6164 [0,0,0,1,0,0|2,0,1]=4 27 B1R0.1 F[Ag] 6131 [2,0,0,0,0,0|2,0,0]=4 28 B3R0.1 C#CCCl 10536 [1,1,0,0,0,0|1,0,1]=4 29 B3R0.1 C#CCN 9972 [1,1,0,0,0,0|1,0,1]=4 30 B3R0.1 C(C#N)Br 6017 [1,1,0,0,0,0|1,0,1]=4 31 B3R0.1 C(CI)F 10671 [1,1,0,0,0,0|1,0,1]=4 32 B3R0.1 C(CO)O 5930 [1,1,0,0,0,0|0,0,1]=3 33 B3R0.1 CNOC 5044 [1,1,0,0,0,0|1,0,0]=3 34 B5R0.1 C(C#N)C(=O)N 6851 [0,2,0,0,0,0|1,0,0]=3 35 B5R0.1 C(C#N)C(=S)N 10106 [0,2,0,0,0,0|1,1,0]=4 36 B5R0.3 C(C(=O)CCl)Cl D0044 [0,2,0,0,0,0|1,0,0]=3 37 B5R0.3 C(C(CCl)O)Cl 10131 [0,2,0,0,0,0|1,0,1]=4 38 B5R0.3 C(C(CF)O)F 9295 [0,2,0,0,0,0|1,0,1]=4 39 B5R0.3 C(C(CO)N)O 6680 [0,2,0,0,0,0|1,0,1]=4 40 B5R0.3 C([C@H](CCl)O)O 10506 [0,2,0,0,0,0|0,0,2]=4 41 B5R0.4 CC(C)(CO)N 9438 [0,2,0,0,0,0|1,0,1]=4 42 B5R0.5 CC(=O)C(F)F 6617 [0,2,0,0,0,0|1,0,0]=3 43 B5R0.5 C[C@@H](C(=O)O)N 5042 [0,2,0,0,0,0|0,0,0]=2 44 B5R0.5 C[C@@H](C(=O)O)N 5087 [0,2,0,0,0,0|0,0,0]=2 45 B5R1.2 C1C(CN1)O 5077 [0,1,0,1,0,0|1,0,1]=4 46 B5R1.2 C1CC(=O)C1 5717 [0,1,0,1,0,0|1,0,0]=3 47 B5R1.3 C1CC1C=O 8503 [0,1,0,1,0,0|1,0,1]=4 48 B5R1.3 C1CC1CO 6152 [0,1,0,1,0,0|1,0,1]=4