0 B4R0.2 C#CCCN MC424006 [0,0,0,0,0,0|3,0,1]=4 1 B4R0.2 C#CCNC MC41929 [0,0,0,0,0,0|3,0,1]=4 2 B4R0.2 C=COCC MC41915 [0,0,0,0,0,0|2,0,1]=3 3 B4R0.2 CCCC=O MC41868 [0,0,0,0,0,0|1,1,1]=3 4 B4R0.2 CCCCO MC41869 [0,0,0,0,0,0|1,1,1]=3 5 B4R0.2 CCC[Zn]Br MC121348 [0,0,0,0,0,0|3,0,0]=3 6 B4R0.2 CCNCC CS11240 [0,0,0,0,0,0|1,0,2]=3 7 B4R0.2 CCOC=N MC33024 [0,0,0,0,0,0|2,0,1]=3 8 B4R0.2 CCOC=O MC41912 [0,0,0,0,0,0|1,1,1]=3 9 B4R0.2 CCOCC MC41960 [0,0,0,0,0,0|2,0,1]=3 10 B4R0.2 CC[Zn]CC MC10752 [0,0,0,0,0,0|2,0,1]=3 11 B4R0.2 CNCC#N CS19888 [0,0,0,0,0,0|3,0,1]=4 12 B4R0.2 CNCCO CS20910 [0,0,0,0,0,0|2,1,1]=4 13 B4R0.2 COCC#N MC40783 [0,0,0,0,0,0|3,0,1]=4 14 B4R0.2 COCCCl MC428007 [0,0,0,0,0,0|3,0,1]=4 15 B4R0.2 C\C=C\C=O MC41879 [0,0,0,0,0,0|1,1,2]=4 16 B4R0.2 ClCCCBr MC41861 [0,0,0,0,0,0|3,0,1]=4 17 B4R0.2 N#CCCBr CS22188 [0,0,0,0,0,0|3,0,1]=4 18 B4R0.2 NCCCBr CS22190 [0,0,0,0,0,0|3,0,1]=4 19 B4R0.2 NCCCS MC428180 [0,0,0,0,0,0|2,0,2]=4 20 B4R0.2 [NH3+]CCCS MC428140 [0,0,0,0,0,0|2,0,2]=4 21 B3R0.1 BrCCBr MC41884 [1,0,0,0,0,0|2,0,1]=4 22 B3R0.1 C=CCBr MC41858 [1,0,0,0,0,0|2,0,1]=4 23 B3R0.1 CCC#N MC41959 [1,0,0,0,0,0|1,0,1]=3 24 B3R0.1 CCON CS11314 [1,0,0,0,0,0|2,0,0]=3 25 B3R0.1 CC[Zn]Br MC116063 [1,0,0,0,0,0|2,0,0]=3 26 B3R0.1 CNOC CS13986 [1,0,0,0,0,0|1,0,2]=4 27 B3R0.1 COCCl MC41874 [1,0,0,0,0,0|2,0,1]=4 28 B3R0.1 C\C=C\C MC428373 [1,0,0,0,0,0|1,0,2]=4 29 B3R0.1 FCCBr MC429448 [1,0,0,0,0,0|2,0,1]=4 30 B3R0.1 N#CCCl MC41870 [1,0,0,0,0,0|2,0,1]=4 31 B3R0.1 N#CCN CS19759 [1,0,0,0,0,0|2,0,1]=4 32 B3R0.1 NCCBr CS14044 [1,0,0,0,0,0|2,0,1]=4 33 B3R0.1 NCCCl CS16188 [1,0,0,0,0,0|2,0,1]=4 34 B3R0.1 NCCF CS21564 [1,0,0,0,0,0|2,0,1]=4 35 B3R0.1 SCCS MC20652 [1,0,0,0,0,0|1,0,2]=4 36 B5R0.1 CC(C)CC=O CS11530 [0,1,0,0,0,0|1,1,1]=4 37 B5R0.1 CC(C)SC#N MC41971 [0,1,0,0,0,0|2,0,1]=4 38 B5R0.1 CC(N)CCO CS14355 [0,1,0,0,0,0|1,1,1]=4 39 B5R0.1 CC(N)CCO CS14356 [0,1,0,0,0,0|1,1,1]=4 40 B5R0.1 CC(N)CCO CS22096 [0,1,0,0,0,0|1,1,1]=4 41 B5R0.1 CC(O)CON CS17735 [0,1,0,0,0,0|3,0,0]=4 42 B5R0.1 CCCB(O)O CS14802 [0,1,0,0,0,0|2,1,0]=4 43 B5R0.1 CCCC(C)=O CS21731 [0,1,0,0,0,0|1,1,1]=4 44 B5R0.1 CCC[N+](=O)[O-] MC428297 [0,1,0,0,0,0|2,1,0]=4 45 B5R0.1 CCOC(=N)N CS11818 [0,1,0,0,0,0|2,0,1]=4 46 B5R0.1 COCC(C)N CS15401 [0,1,0,0,0,0|3,0,0]=4 47 B5R0.1 COCC(C)O CS20249 [0,1,0,0,0,0|3,0,0]=4 48 B5R0.1 COCC(C)O CS20309 [0,1,0,0,0,0|3,0,0]=4 49 B5R0.1 COCC(C)O CS20741 [0,1,0,0,0,0|3,0,0]=4 50 B5R0.1 COCC(N)=S MC102255 [0,1,0,0,0,0|2,0,1]=4 51 B5R0.2 BrCCCCBr MC41885 [0,1,0,0,0,0|2,0,1]=4 52 B5R0.2 C#CCN=C=O MC107730 [0,1,0,0,0,0|0,1,1]=3 53 B5R0.2 CCCCCBr CS20657 [0,1,0,0,0,0|2,0,1]=4 54 B5R0.2 CCCC[Zn]Br MC121334 [0,1,0,0,0,0|2,0,1]=4 55 B5R0.2 CCOCCBr CS21396 [0,1,0,0,0,0|2,0,1]=4 56 B5R0.2 CCOCCCl MC428008 [0,1,0,0,0,0|2,0,1]=4 57 B5R0.2 CNCCC#N CS22369 [0,1,0,0,0,0|2,0,1]=4 58 B5R0.2 CNCCCO CS14200 [0,1,0,0,0,0|1,1,1]=4 59 B5R0.2 CNCCNC CS15116 [0,1,0,0,0,0|3,0,0]=4 60 B5R0.2 CNCCOC MC427349 [0,1,0,0,0,0|3,0,0]=4 61 B5R0.2 COCCC#N CS22345 [0,1,0,0,0,0|2,0,1]=4 62 B5R0.2 COCCCBr CS20649 [0,1,0,0,0,0|2,0,1]=4 63 B5R0.2 COCCCO CS20039 [0,1,0,0,0,0|1,1,1]=4 64 B5R0.2 COCCNN MC103229 [0,1,0,0,0,0|3,0,0]=4 65 B5R0.2 COCCNN MC107041 [0,1,0,0,0,0|3,0,0]=4 66 B5R0.2 COCCOC MC41899 [0,1,0,0,0,0|3,0,0]=4 67 B5R0.2 COCCOC MC445008 [0,1,0,0,0,0|3,0,0]=4 68 B5R0.2 N#CCCCBr MC433750 [0,1,0,0,0,0|2,0,1]=4 69 B5R0.2 NCCCCBr CS14979 [0,1,0,0,0,0|2,0,1]=4 70 B5R0.2 NCCCCN CS19906 [0,1,0,0,0,0|2,0,1]=4 71 B5R0.3 CCC(C)[Zn]Br MC121335 [0,1,0,0,0,0|3,0,0]=4 72 B5R0.3 CCC(N)CO CS15119 [0,1,0,0,0,0|1,1,1]=4 73 B5R0.3 CCC(N)CO MC10528 [0,1,0,0,0,0|1,1,1]=4 74 B5R0.3 CCC(N)CO MC20718 [0,1,0,0,0,0|1,1,1]=4 75 B5R0.3 CCC(N)CO MC436159 [0,1,0,0,0,0|1,1,1]=4 76 B5R0.3 CCC(O)CO CS15622 [0,1,0,0,0,0|1,1,1]=4 77 B5R1.1 C1CCNC1 MC41708 [0,0,0,1,0,0|1,0,2]=4 78 B5R1.1 C1CNNC1 CS16750 [0,0,0,1,0,0|2,0,1]=4 79 B5R1.2 CC1CNC1 CS13089 [0,0,0,1,0,0|3,0,0]=4 80 B5R1.2 O=C1CCC1 MC10479 [0,0,0,1,0,0|1,1,1]=4 81 B5R1.2 O=C1CCN1 MC31231 [0,0,0,1,0,0|0,1,2]=4 82 B5R1.2 OC1CCC1 CS11176 [0,0,0,1,0,0|1,1,1]=4 83 B5R1.3 BrCC1CC1 MC10481 [0,0,0,1,0,0|2,0,1]=4 84 B5R1.3 Br[Zn]C1CC1 MC121325 [0,0,0,1,0,0|3,0,0]=4 85 B5R1.3 CCC1CO1 MC20699 [0,0,0,1,0,0|1,1,1]=4 86 B5R1.3 CCC1CO1 MC428314 [0,0,0,1,0,0|1,1,1]=4 87 B5R1.3 CNC1CC1 CS13160 [0,0,0,1,0,0|3,0,0]=4 88 B5R1.3 ClCC1CC1 CS19956 [0,0,0,1,0,0|2,0,1]=4 89 B5R1.3 N#CC1CC1 MC41837 [0,0,0,1,0,0|2,0,1]=4 90 B5R1.3 NCC1CC1 CS18907 [0,0,0,1,0,0|2,0,1]=4 91 B5R1.3 NNC1CC1 CS15677 [0,0,0,1,0,0|3,0,0]=4 92 B5R1.3 NNC1CC1 CS18095 [0,0,0,1,0,0|3,0,0]=4 93 B5R1.3 O=CC1CC1 MC428327 [0,0,0,1,0,0|1,1,1]=4 94 B5R1.3 OCC1CC1 CS19620 [0,0,0,1,0,0|1,1,1]=4 95 B2R0.1 CC#N CS13723 [2,0,0,0,0,0|0,0,2]=4 96 B2R0.1 CC[O-] MC10763 [2,0,0,0,0,0|0,1,0]=3 97 B2R0.1 CNC CS11262 [2,0,0,0,0,0|0,0,2]=4 98 B2R0.1 CNC MC20856 [2,0,0,0,0,0|0,0,2]=4 99 B2R0.1 CNC MC41898 [2,0,0,0,0,0|0,0,2]=4 100 B2R0.1 CNO CS21748 [2,0,0,0,0,0|0,1,1]=4 101 B2R0.1 CON CS19173 [2,0,0,0,0,0|1,0,1]=4 102 B2R0.1 C[Mg]Br MC10193 [2,0,0,0,0,0|2,0,0]=4 103 B2R0.1 C[Zn]Br MC116062 [2,0,0,0,0,0|2,0,0]=4 104 B4R0.1 C#CC(C)O MC427719 [1,1,0,0,0,0|1,0,1]=4 105 B4R0.1 CC(C)=NO CS10884 [1,1,0,0,0,0|0,1,1]=4 106 B4R0.1 CC(C)C#N MC41920 [1,1,0,0,0,0|1,0,1]=4 107 B4R0.1 CC(C)NN CS11525 [1,1,0,0,0,0|1,0,1]=4 108 B4R0.1 CC(C)ON CS13668 [1,1,0,0,0,0|2,0,0]=4 109 B4R0.1 CC(C)[Zn]Br MC121350 [1,1,0,0,0,0|2,0,0]=4 110 B4R0.1 CC(Cl)CO CS20251 [1,1,0,0,0,0|0,1,1]=4 111 B4R0.1 CC(Cl)CO MC428270 [1,1,0,0,0,0|0,1,1]=4 112 B4R0.1 CC(N)CN CS20323 [1,1,0,0,0,0|1,0,1]=4 113 B4R0.1 CC(N)CN MC10147 [1,1,0,0,0,0|1,0,1]=4 114 B4R0.1 CC(N)CO CS14182 [1,1,0,0,0,0|0,1,1]=4 115 B4R0.1 CC(N)CO CS19476 [1,1,0,0,0,0|0,1,1]=4 116 B4R0.1 CC(N)CO CS21310 [1,1,0,0,0,0|0,1,1]=4 117 B4R0.1 CC(O)CCl MC20696 [1,1,0,0,0,0|1,0,1]=4 118 B4R0.1 CC(O)CCl MC20697 [1,1,0,0,0,0|1,0,1]=4 119 B4R0.1 CC(O)CN CS14075 [1,1,0,0,0,0|1,0,1]=4 120 B4R0.1 CC(O)CO MC20330 [1,1,0,0,0,0|0,1,1]=4 121 B4R0.1 CCB(O)O CS13979 [1,1,0,0,0,0|1,1,0]=4 122 B4R0.1 CCC(C)O MC10786 [1,1,0,0,0,0|0,1,1]=4 123 B4R0.1 CCC(N)=O CS11886 [1,1,0,0,0,0|0,1,1]=4 124 B4R0.1 CNC(N)=S CS11797 [1,1,0,0,0,0|0,0,2]=4 125 B4R0.1 C\C(N)=N\O CS10879 [1,1,0,0,0,0|0,1,1]=4 126 B6R0.2 CC(Br)CC(N)=S MC106193 [0,2,0,0,0,0|1,0,1]=4 127 B6R0.5 CS(=O)(=O)N=C=O MC121373 [0,2,0,0,0,0|1,1,0]=4 128 B4R1.1 C1CNC1 CS14211 [1,0,0,1,0,0|0,0,2]=4 129 B4R1.1 C1CNC1 MC445038 [1,0,0,1,0,0|0,0,2]=4 130 B4R1.2 BrC1CC1 CS19063 [1,0,0,1,0,0|1,0,1]=4 131 B4R1.2 CC1CO1 MC428272 [1,0,0,1,0,0|0,1,1]=4 132 B4R1.2 OC1CC1 MC443565 [1,0,0,1,0,0|0,1,1]=4 133 B6R1.2 CC1=NCCC1 CS21664 [0,1,0,1,0,0|1,0,1]=4 134 B6R1.2 NC1=NCCC1 CS19310 [0,1,0,1,0,0|1,0,1]=4 135 B6R1.3 O=C=NC1CC1 MC418391 [0,1,0,1,0,0|0,1,0]=3 136 B6R1.11 NC(=S)C1CC1 MC21067 [0,1,0,1,0,0|1,0,1]=4