0 B4R0.1 C=CC(=O)O 2825263 [0,0,0,0,0,0|3,0,1]=4 1 B4R0.1 C=CC(C)=O 4434968 [0,0,0,0,0,0|4,0,0]=4 2 B4R0.1 C=CC(N)=O 2825260 [0,0,0,0,0,0|4,0,0]=4 3 B4R0.1 CC(=O)C=O 2825264 [0,0,0,0,0,0|3,0,0]=3 4 B4R0.1 CC(=O)CBr 2818247 [0,0,0,0,0,0|4,0,0]=4 5 B4R0.1 CC(=O)CCl 2825445 [0,0,0,0,0,0|4,0,0]=4 6 B4R0.1 CC(=O)CN 15296922 [0,0,0,0,0,0|4,0,0]=4 7 B4R0.1 CC(=O)CO 2825282 [0,0,0,0,0,0|3,0,1]=4 8 B4R0.1 CC(=O)NN 1778530 [0,0,0,0,0,0|3,1,0]=4 9 B4R0.1 CC(C)C=O 2825266 [0,0,0,0,0,0|4,0,0]=4 10 B4R0.1 CCC(=O)Cl 1051693 [0,0,0,0,0,0|4,0,0]=4 11 B4R0.1 CCC(=O)O 14605034 [0,0,0,0,0,0|3,0,1]=4 12 B4R0.1 CCC(C)=O 3585902 [0,0,0,0,0,0|4,0,0]=4 13 B4R0.1 CCC(N)=O 1375166 [0,0,0,0,0,0|4,0,0]=4 14 B4R0.1 CC[N+](=O)[O-] 2825295 [0,0,0,0,0,0|2,1,1]=4 15 B4R0.1 CNC(N)=O 1778531 [0,0,0,0,0,0|3,1,0]=4 16 B4R0.1 COC(=O)Cl 2825463 [0,0,0,0,0,0|4,0,0]=4 17 B4R0.1 COC(N)=O 2825294 [0,0,0,0,0,0|4,0,0]=4 18 B4R0.1 NC(=O)CCl 2825454 [0,0,0,0,0,0|4,0,0]=4 19 B4R0.1 NC(=O)CS 3474154 [0,0,0,0,0,0|3,1,0]=4 20 B4R0.1 NC(=O)NO 4666717 [0,0,0,0,0,0|2,1,1]=4 21 B4R0.1 NCC(=O)O 2825296 [0,0,0,0,0,0|3,0,1]=4 22 B4R0.1 NCC(=O)O 5753509 [0,0,0,0,0,0|3,0,1]=4 23 B4R0.1 NNC(N)=O 2825793 [0,0,0,0,0,0|3,1,0]=4 24 B4R0.1 O=C(Cl)CCl 2825844 [0,0,0,0,0,0|4,0,0]=4 25 B4R0.1 O=C(O)CBr 2827321 [0,0,0,0,0,0|3,0,1]=4 26 B4R0.1 O=C(O)CCl 2825462 [0,0,0,0,0,0|3,0,1]=4 27 B4R0.1 O=C(O)CI 2928692 [0,0,0,0,0,0|3,0,1]=4 28 B4R0.1 O=C(O)CO 2825300 [0,0,0,0,0,0|2,0,2]=4 29 B4R0.1 O=C(O)CS 2119848 [0,0,0,0,0,0|2,1,1]=4 30 B4R0.1 O=C([O-])CS 6057377 [0,0,0,0,0,0|2,1,1]=4 31 B4R0.1 O=CC(=O)O 2825277 [0,0,0,0,0,0|2,0,1]=3 32 B3R0.1 C(=O)C=C 6057255 [1,0,0,0,0,0|3,0,0]=4 33 B3R0.1 CCC=O 2825243 [1,0,0,0,0,0|3,0,0]=4 34 B3R0.1 COC=O 13507909 [1,0,0,0,0,0|3,0,0]=4 35 B3R0.1 NNC=O 2825252 [1,0,0,0,0,0|2,1,0]=4 36 B3R0.1 O=CC=O 2825242 [1,0,0,0,0,0|2,0,0]=3 37 B3R0.1 O=CCCl 2825311 [1,0,0,0,0,0|3,0,0]=4 38 B3R0.1 O=NO[Na] 6057364 [1,0,0,0,0,0|2,1,0]=4 39 B3R0.2 CC(=O)O 22430651 [1,0,0,0,0,0|2,0,1]=4 40 B3R0.2 CC(=O)O 2825250 [1,0,0,0,0,0|2,0,1]=4 41 B3R0.2 CC(=O)O 2825650 [1,0,0,0,0,0|2,0,1]=4 42 B3R0.2 CC(=O)S 6057532 [1,0,0,0,0,0|2,1,0]=4 43 B3R0.2 CC(=O)[O-] 22430506 [1,0,0,0,0,0|2,0,1]=4 44 B3R0.2 CC(N)=O 2825246 [1,0,0,0,0,0|2,1,0]=4 45 B3R0.2 C[N+](=O)[O-] 6057031 [1,0,0,0,0,0|1,1,1]=4 46 B3R0.2 O=[N+]([O-])O 22430585 [1,0,0,0,0,0|0,1,2]=4 47 B5R0.3 O=CC(=O)CO 3354149 [0,1,0,0,0,0|2,0,1]=4 48 B5R0.3 O=CC(Br)C=O 3669024 [0,1,0,0,0,0|3,0,0]=4 49 B5R0.4 CCS(=O)(=O)Cl 22430516 [0,1,0,0,0,0|3,0,0]=4 50 B5R0.4 CCS(C)(=O)=O 1115483 [0,1,0,0,0,0|3,0,0]=4 51 B5R0.4 CCS(N)(=O)=O 2825737 [0,1,0,0,0,0|3,0,0]=4 52 B5R0.4 CNS(=O)(=O)Cl 1499546 [0,1,0,0,0,0|2,1,0]=4 53 B5R0.4 CS(=O)(=O)NO 1778599 [0,1,0,0,0,0|1,1,1]=4 54 B5R0.4 NOS(=O)(=O)O 2825849 [0,1,0,0,0,0|3,0,0]=4 55 B5R0.5 CC(=O)C(=O)O 2825388 [0,1,0,0,0,0|2,0,1]=4 56 B5R0.5 CC(=O)C(C)=O 2825359 [0,1,0,0,0,0|3,0,0]=4 57 B2R0.1 CC=O 3585877 [2,0,0,0,0,0|2,0,0]=4 58 B4R0.3 CS(=O)(=O)O 2816712 [1,1,0,0,0,0|1,0,1]=4 59 B4R0.3 CS(N)(=O)=O 2825472 [1,1,0,0,0,0|1,1,0]=4 60 B4R0.3 NS(=O)(=O)O 2825492 [1,1,0,0,0,0|1,0,1]=4 61 B4R0.3 O=S(=O)(O)O 22430399 [1,1,0,0,0,0|1,0,1]=4 62 B4R0.3 O=S(=O)(O)O 22430587 [1,1,0,0,0,0|1,0,1]=4 63 B4R0.3 O=S(=O)([O-])O 22430383 [1,1,0,0,0,0|1,0,1]=4 64 B6R0.5 CS(=O)(=O)N=C=O 1778687 [0,2,0,0,0,0|1,1,0]=4 65 B6R0.5 O=C=NS(=O)(=O)Cl 2827695 [0,2,0,0,0,0|1,1,0]=4