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=CCNN MC107856 [0,0,0,0,0,0|4,0,0]=4 3 B4R0.2 C=CC[Pd]Cl MC444917 [0,0,0,0,0,0|4,0,0]=4 4 B4R0.2 C=COCC MC41915 [0,0,0,0,0,0|1,0,0]=1 5 B4R0.2 CCCC=O MC41868 [0,0,0,0,0,0|1,0,0]=1 6 B4R0.2 CCCCO MC41869 [0,0,0,0,0,0|1,0,2]=3 7 B4R0.2 CCC[Zn]Br MC121348 [0,0,0,0,0,0|3,0,0]=3 8 B4R0.2 CCNCC CS11240 [0,0,0,0,0,0|2,0,1]=3 9 B4R0.2 CCOC=N MC33024 [0,0,0,0,0,0|1,0,0]=1 10 B4R0.2 CCOC=O MC41912 [0,0,0,0,0,0|0,0,0]=0 11 B4R0.2 CCOCC MC41960 [0,0,0,0,0,0|1,0,1]=2 12 B4R0.2 CC[Zn]CC MC10752 [0,0,0,0,0,0|2,0,1]=3 13 B4R0.2 CNCC#N CS19888 [0,0,0,0,0,0|3,0,1]=4 14 B4R0.2 CNCCO CS20910 [0,0,0,0,0,0|2,0,2]=4 15 B4R0.2 COCC#N MC40783 [0,0,0,0,0,0|3,0,1]=4 16 B4R0.2 COCCCl MC428007 [0,0,0,0,0,0|3,0,1]=4 17 B4R0.2 C\C=C\C=O MC41879 [0,0,0,0,0,0|1,0,1]=2 18 B4R0.2 ClCCCBr MC41861 [0,0,0,0,0,0|3,0,1]=4 19 B4R0.2 N#CCCBr CS22188 [0,0,0,0,0,0|3,0,1]=4 20 B4R0.2 NCCCBr CS22190 [0,0,0,0,0,0|3,0,1]=4 21 B4R0.2 NCCCS MC428180 [0,0,0,0,0,0|2,1,1]=4 22 B4R0.2 [NH3+]CCCS MC428140 [0,0,0,0,0,0|2,1,1]=4 23 B3R0.1 BrCCBr MC41884 [1,0,0,0,0,0|2,0,1]=4 24 B3R0.1 C=CCBr MC41858 [1,0,0,0,0,0|2,0,0]=3 25 B3R0.1 C=C[Mg]Br MC10627 [1,0,0,0,0,0|3,0,0]=4 26 B3R0.1 CCC#N MC41959 [1,0,0,0,0,0|1,0,1]=3 27 B3R0.1 CCON CS11314 [1,0,0,0,0,0|1,0,0]=2 28 B3R0.1 CC[Zn]Br MC116063 [1,0,0,0,0,0|2,0,0]=3 29 B3R0.1 CNOC CS13986 [1,0,0,0,0,0|1,0,1]=3 30 B3R0.1 COCCl MC41874 [1,0,0,0,0,0|1,0,1]=3 31 B3R0.1 C\C=C\C MC428373 [1,0,0,0,0,0|1,0,1]=3 32 B3R0.1 Cl\C=C\Cl MC41969 [1,0,0,0,0,0|2,0,1]=4 33 B3R0.1 FCCBr MC429448 [1,0,0,0,0,0|2,0,1]=4 34 B3R0.1 N#CCCl MC41870 [1,0,0,0,0,0|2,0,1]=4 35 B3R0.1 N#CCN CS19759 [1,0,0,0,0,0|2,0,1]=4 36 B3R0.1 NCCBr CS14044 [1,0,0,0,0,0|2,0,1]=4 37 B3R0.1 NCCCl CS16188 [1,0,0,0,0,0|2,0,1]=4 38 B3R0.1 NCCF CS21564 [1,0,0,0,0,0|2,0,1]=4 39 B3R0.1 SCCS MC20652 [1,0,0,0,0,0|1,1,1]=4 40 B5R0.1 C=C(C)CCBr CS14513 [0,1,0,0,0,0|3,0,0]=4 41 B5R0.1 CC#CC(=O)O MC20776 [0,1,0,0,0,0|1,0,1]=3 42 B5R0.1 CC(=O)\C=N\O CS11520 [0,1,0,0,0,0|3,0,0]=4 43 B5R0.1 CC(=O)\C=N\O CS18968 [0,1,0,0,0,0|3,0,0]=4 44 B5R0.1 CC(C)=CCBr MC41900 [0,1,0,0,0,0|3,0,0]=4 45 B5R0.1 CC(C)CC=O CS11530 [0,1,0,0,0,0|1,0,0]=2 46 B5R0.1 CC(C)SC#N MC41971 [0,1,0,0,0,0|1,1,1]=4 47 B5R0.1 CC(N)CCO CS14355 [0,1,0,0,0,0|1,0,2]=4 48 B5R0.1 CC(N)CCO CS14356 [0,1,0,0,0,0|1,0,2]=4 49 B5R0.1 CC(N)CCO CS22096 [0,1,0,0,0,0|1,0,2]=4 50 B5R0.1 CC(O)CON CS17735 [0,1,0,0,0,0|3,0,0]=4 51 B5R0.1 CCCB(O)O CS14802 [0,1,0,0,0,0|2,0,1]=4 52 B5R0.1 CCCC(C)=O CS21731 [0,1,0,0,0,0|1,0,0]=2 53 B5R0.1 CCC[N+](=O)[O-] MC428297 [0,1,0,0,0,0|2,0,0]=3 54 B5R0.1 CCOC(=N)N CS11818 [0,1,0,0,0,0|1,0,0]=2 55 B5R0.1 CN(C)CC=O CS17734 [0,1,0,0,0,0|2,0,0]=3 56 B5R0.1 CNCC(=O)O CS18595 [0,1,0,0,0,0|2,0,0]=3 57 B5R0.1 CNCC(N)=O MC438151 [0,1,0,0,0,0|2,0,0]=3 58 B5R0.1 COCC(=O)Cl MC40491 [0,1,0,0,0,0|2,0,0]=3 59 B5R0.1 COCC(=O)O CS11579 [0,1,0,0,0,0|2,0,0]=3 60 B5R0.1 COCC(C)N CS15401 [0,1,0,0,0,0|3,0,0]=4 61 B5R0.1 COCC(C)O CS20249 [0,1,0,0,0,0|3,0,0]=4 62 B5R0.1 COCC(C)O CS20309 [0,1,0,0,0,0|3,0,0]=4 63 B5R0.1 COCC(C)O CS20741 [0,1,0,0,0,0|3,0,0]=4 64 B5R0.1 COCC(N)=O MC41924 [0,1,0,0,0,0|2,0,0]=3 65 B5R0.1 COCC(N)=S MC102255 [0,1,0,0,0,0|2,1,0]=4 66 B5R0.1 CSCC(=O)Cl MC106201 [0,1,0,0,0,0|2,0,0]=3 67 B5R0.1 CSCC(N)=O CS12608 [0,1,0,0,0,0|2,0,0]=3 68 B5R0.1 C\C=C\C(=O)O MC41882 [0,1,0,0,0,0|1,0,1]=3 69 B5R0.1 N#CCC(=O)O MC41881 [0,1,0,0,0,0|2,0,1]=4 70 B5R0.1 N#CCC(N)=O CS18594 [0,1,0,0,0,0|2,0,1]=4 71 B5R0.1 NCCC(=O)O CS13499 [0,1,0,0,0,0|2,0,0]=3 72 B5R0.1 NCCC(N)=O MC436150 [0,1,0,0,0,0|2,0,0]=3 73 B5R0.1 O=C(O)CCO MC20638 [0,1,0,0,0,0|2,0,0]=3 74 B5R0.2 BrCCCCBr MC41885 [0,1,0,0,0,0|2,0,1]=4 75 B5R0.2 C#CCN=C=O MC107730 [0,1,0,0,0,0|1,0,2]=4 76 B5R0.2 C#C\C=C\CO MC428290 [0,1,0,0,0,0|3,0,0]=4 77 B5R0.2 C=CCCON MC110761 [0,1,0,0,0,0|3,0,0]=4 78 B5R0.2 C=CCC[Zn]Br MC121337 [0,1,0,0,0,0|3,0,0]=4 79 B5R0.2 CCCCCBr CS20657 [0,1,0,0,0,0|2,0,1]=4 80 B5R0.2 CCCC[Zn]Br MC121334 [0,1,0,0,0,0|2,0,1]=4 81 B5R0.2 CCOCCBr CS21396 [0,1,0,0,0,0|1,0,1]=3 82 B5R0.2 CCOCCCl MC428008 [0,1,0,0,0,0|1,0,1]=3 83 B5R0.2 CNCCC#N CS22369 [0,1,0,0,0,0|2,0,1]=4 84 B5R0.2 CNCCCO CS14200 [0,1,0,0,0,0|1,0,2]=4 85 B5R0.2 CNCCNC CS15116 [0,1,0,0,0,0|3,0,0]=4 86 B5R0.2 CNCCOC MC427349 [0,1,0,0,0,0|3,0,0]=4 87 B5R0.2 COCCC#N CS22345 [0,1,0,0,0,0|2,0,1]=4 88 B5R0.2 COCCCBr CS20649 [0,1,0,0,0,0|2,0,1]=4 89 B5R0.2 COCCCO CS20039 [0,1,0,0,0,0|1,0,2]=4 90 B5R0.2 COCCNN MC103229 [0,1,0,0,0,0|3,0,0]=4 91 B5R0.2 COCCNN MC107041 [0,1,0,0,0,0|3,0,0]=4 92 B5R0.2 COCCOC MC41899 [0,1,0,0,0,0|3,0,0]=4 93 B5R0.2 COCCOC MC445008 [0,1,0,0,0,0|3,0,0]=4 94 B5R0.2 C\C=C\C[Pd]Cl MC444919 [0,1,0,0,0,0|3,0,0]=4 95 B5R0.2 ClC\C=C\CCl MC10276 [0,1,0,0,0,0|3,0,0]=4 96 B5R0.2 ClC\C=C\CCl MC10277 [0,1,0,0,0,0|3,0,0]=4 97 B5R0.2 N#CCCCBr MC433750 [0,1,0,0,0,0|2,0,1]=4 98 B5R0.2 NCCCCBr CS14979 [0,1,0,0,0,0|2,0,1]=4 99 B5R0.2 NCCCCN CS19906 [0,1,0,0,0,0|2,0,1]=4 100 B5R0.2 O=CNNC=O CS20491 [0,1,0,0,0,0|2,0,1]=4 101 B5R0.2 OC\C=C\CCl MC10262 [0,1,0,0,0,0|2,0,1]=4 102 B5R0.2 OC\C=C\CO MC41968 [0,1,0,0,0,0|2,0,1]=4 103 B5R0.2 OC\C=C\CO MC424009 [0,1,0,0,0,0|2,0,1]=4 104 B5R0.3 CCC(C)[Zn]Br MC121335 [0,1,0,0,0,0|3,0,0]=4 105 B5R0.3 CCC(N)CO CS15119 [0,1,0,0,0,0|1,0,2]=4 106 B5R0.3 CCC(N)CO MC10528 [0,1,0,0,0,0|1,0,2]=4 107 B5R0.3 CCC(N)CO MC20718 [0,1,0,0,0,0|1,0,2]=4 108 B5R0.3 CCC(N)CO MC436159 [0,1,0,0,0,0|1,0,2]=4 109 B5R0.3 CCC(O)CO CS15622 [0,1,0,0,0,0|1,0,2]=4 110 B5R0.3 O=CC(=O)CO MC427604 [0,1,0,0,0,0|2,0,0]=3 111 B5R0.3 O=CC(Br)C=O CS18151 [0,1,0,0,0,0|2,0,1]=4 112 B5R0.3 O=CC(O)CO MC107096 [0,1,0,0,0,0|2,0,0]=3 113 B5R0.3 O=CC(O)CO MC20361 [0,1,0,0,0,0|2,0,0]=3 114 B5R0.3 O=CC(O)CO MC20362 [0,1,0,0,0,0|2,0,0]=3 115 B5R1.1 C1=CCNC1 MC10278 [0,0,0,1,0,0|3,0,0]=4 116 B5R1.1 C1=CON=C1 MC20462 [0,0,0,1,0,0|2,0,1]=4 117 B5R1.1 C1CCNC1 MC41708 [0,0,0,1,0,0|2,0,1]=4 118 B5R1.1 C1CNNC1 CS16750 [0,0,0,1,0,0|3,0,0]=4 119 B5R1.2 CC1CNC1 CS13089 [0,0,0,1,0,0|3,0,0]=4 120 B5R1.2 O=C1CCC1 MC10479 [0,0,0,1,0,0|1,0,0]=2 121 B5R1.2 O=C1CCN1 MC31231 [0,0,0,1,0,0|1,0,0]=2 122 B5R1.2 O=C1CNC1 MC444241 [0,0,0,1,0,0|2,0,0]=3 123 B5R1.2 O=C1COC1 CS22391 [0,0,0,1,0,0|2,0,0]=3 124 B5R1.2 O=C1CSC1 CS13345 [0,0,0,1,0,0|2,0,0]=3 125 B5R1.2 OC1CCC1 CS11176 [0,0,0,1,0,0|1,0,2]=4 126 B5R1.3 BrCC1CC1 MC10481 [0,0,0,1,0,0|2,0,1]=4 127 B5R1.3 Br[Zn]C1CC1 MC121325 [0,0,0,1,0,0|3,0,0]=4 128 B5R1.3 C=CC1CO1 MC428261 [0,0,0,1,0,0|3,0,0]=4 129 B5R1.3 CCC1CO1 MC20699 [0,0,0,1,0,0|1,0,2]=4 130 B5R1.3 CCC1CO1 MC428314 [0,0,0,1,0,0|1,0,2]=4 131 B5R1.3 CNC1CC1 CS13160 [0,0,0,1,0,0|3,0,0]=4 132 B5R1.3 ClCC1CC1 CS19956 [0,0,0,1,0,0|2,0,1]=4 133 B5R1.3 N#CC1CC1 MC41837 [0,0,0,1,0,0|2,0,1]=4 134 B5R1.3 NCC1CC1 CS18907 [0,0,0,1,0,0|2,0,1]=4 135 B5R1.3 NNC1CC1 CS15677 [0,0,0,1,0,0|3,0,0]=4 136 B5R1.3 NNC1CC1 CS18095 [0,0,0,1,0,0|3,0,0]=4 137 B5R1.3 O=CC1CC1 MC428327 [0,0,0,1,0,0|1,0,0]=2 138 B5R1.3 OCC1CC1 CS19620 [0,0,0,1,0,0|1,0,2]=4 139 B2R0.1 CC#N CS13723 [2,0,0,0,0,0|1,0,1]=4 140 B2R0.1 CC[O-] MC10763 [2,0,0,0,0,0|0,0,1]=3 141 B2R0.1 CNC CS11262 [2,0,0,0,0,0|1,0,1]=4 142 B2R0.1 CNC MC20856 [2,0,0,0,0,0|1,0,1]=4 143 B2R0.1 CNC MC41898 [2,0,0,0,0,0|1,0,1]=4 144 B2R0.1 CNO CS21748 [2,0,0,0,0,0|1,0,0]=3 145 B2R0.1 CON CS19173 [2,0,0,0,0,0|1,0,0]=3 146 B2R0.1 C[Mg]Br MC10193 [2,0,0,0,0,0|2,0,0]=4 147 B2R0.1 C[Zn]Br MC116062 [2,0,0,0,0,0|2,0,0]=4 148 B2R0.1 O=[PH2][O-] MC20648 [2,0,0,0,0,0|1,0,1]=4 149 B2R0.1 O=[Pt]=O CS10895 [2,0,0,0,0,0|1,0,1]=4 150 B2R0.1 OBO MC440284 [2,0,0,0,0,0|1,0,1]=4 151 B4R0.1 C#CC(=O)O MC428031 [1,1,0,0,0,0|0,0,2]=4 152 B4R0.1 C#CC(C)O MC427719 [1,1,0,0,0,0|1,0,1]=4 153 B4R0.1 C=CC(N)=O MC41857 [1,1,0,0,0,0|0,0,2]=4 154 B4R0.1 CC(=O)CBr MC20986 [1,1,0,0,0,0|1,0,0]=3 155 B4R0.1 CC(=O)CN CS10921 [1,1,0,0,0,0|1,0,0]=3 156 B4R0.1 CC(=O)CO CS11467 [1,1,0,0,0,0|1,0,0]=3 157 B4R0.1 CC(=O)NN CS10881 [1,1,0,0,0,0|2,0,0]=4 158 B4R0.1 CC(=O)NO CS14961 [1,1,0,0,0,0|2,0,0]=4 159 B4R0.1 CC(C)C#N MC41920 [1,1,0,0,0,0|1,0,1]=4 160 B4R0.1 CC(C)NN CS11525 [1,1,0,0,0,0|2,0,0]=4 161 B4R0.1 CC(C)ON CS13668 [1,1,0,0,0,0|1,0,0]=3 162 B4R0.1 CC(C)[Zn]Br MC121350 [1,1,0,0,0,0|2,0,0]=4 163 B4R0.1 CC(Cl)CO CS20251 [1,1,0,0,0,0|0,0,2]=4 164 B4R0.1 CC(Cl)CO MC428270 [1,1,0,0,0,0|0,0,2]=4 165 B4R0.1 CC(N)CN CS20323 [1,1,0,0,0,0|1,0,1]=4 166 B4R0.1 CC(N)CN MC10147 [1,1,0,0,0,0|1,0,1]=4 167 B4R0.1 CC(N)CO CS14182 [1,1,0,0,0,0|0,0,2]=4 168 B4R0.1 CC(N)CO CS19476 [1,1,0,0,0,0|0,0,2]=4 169 B4R0.1 CC(N)CO CS21310 [1,1,0,0,0,0|0,0,2]=4 170 B4R0.1 CC(O)CCl MC20696 [1,1,0,0,0,0|1,0,1]=4 171 B4R0.1 CC(O)CCl MC20697 [1,1,0,0,0,0|1,0,1]=4 172 B4R0.1 CC(O)CN CS14075 [1,1,0,0,0,0|1,0,1]=4 173 B4R0.1 CC(O)CO MC20330 [1,1,0,0,0,0|0,0,2]=4 174 B4R0.1 CCB(O)O CS13979 [1,1,0,0,0,0|1,0,1]=4 175 B4R0.1 CCC(C)O MC10786 [1,1,0,0,0,0|0,0,2]=4 176 B4R0.1 CCC(N)=O CS11886 [1,1,0,0,0,0|0,0,0]=2 177 B4R0.1 CNC(N)=O MC10792 [1,1,0,0,0,0|1,0,0]=3 178 B4R0.1 CNC(N)=S CS11797 [1,1,0,0,0,0|1,1,0]=4 179 B4R0.1 COC(N)=O CS11667 [1,1,0,0,0,0|0,0,0]=2 180 B4R0.1 COC(N)=[NH2+] CS11820 [1,1,0,0,0,0|1,0,0]=3 181 B4R0.1 CSC(=N)N MC41956 [1,1,0,0,0,0|1,1,0]=4 182 B4R0.1 C\C=C(/C)Br MC10255 [1,1,0,0,0,0|1,0,1]=4 183 B4R0.1 NC(=O)CBr CS21389 [1,1,0,0,0,0|1,0,0]=3 184 B4R0.1 NCC(=O)O CS19951 [1,1,0,0,0,0|1,0,0]=3 185 B4R0.1 NCC(=O)[O-] CS10910 [1,1,0,0,0,0|1,0,0]=3 186 B4R0.1 NCC(=O)[O-] MC20522 [1,1,0,0,0,0|1,0,0]=3 187 B4R0.1 NCC(N)=O CS13806 [1,1,0,0,0,0|1,0,0]=3 188 B4R0.1 NCC(N)=O MC437712 [1,1,0,0,0,0|1,0,0]=3 189 B4R0.1 NCS(=O)[O-] MC105927 [1,1,0,0,0,0|1,1,0]=4 190 B4R0.1 NNC(N)=O CS11949 [1,1,0,0,0,0|2,0,0]=4 191 B4R0.1 O=C(Cl)CBr MC21000 [1,1,0,0,0,0|1,0,0]=3 192 B4R0.1 O=C(O)CCl MC41871 [1,1,0,0,0,0|1,0,0]=3 193 B4R0.1 O=C(O)CO CS19334 [1,1,0,0,0,0|1,0,0]=3 194 B4R0.1 O=C([O-])CCl MC41872 [1,1,0,0,0,0|1,0,0]=3 195 B4R0.1 O=S([O-])CO CS11936 [1,1,0,0,0,0|1,1,0]=4 196 B6R0.1 C#CC(=O)OCC MC434052 [0,2,0,0,0,0|0,0,0]=2 197 B6R0.1 CCCC(=O)NN CS22544 [0,2,0,0,0,0|1,0,0]=3 198 B6R0.1 CCNC(=O)NC MC428152 [0,2,0,0,0,0|1,0,0]=3 199 B6R0.1 CCOC(=O)CBr MC41907 [0,2,0,0,0,0|0,0,0]=2 200 B6R0.1 CCOC(=O)CCl MC41910 [0,2,0,0,0,0|0,0,0]=2 201 B6R0.1 CCOC(=O)CN CS15347 [0,2,0,0,0,0|0,0,0]=2 202 B6R0.1 CCOC(=O)CO CS11386 [0,2,0,0,0,0|0,0,0]=2 203 B6R0.1 CCOC(=O)NN CS11383 [0,2,0,0,0,0|0,0,0]=2 204 B6R0.1 CNC(=O)CCN MC112263 [0,2,0,0,0,0|2,0,0]=4 205 B6R0.1 CNCC(=O)OC MC438154 [0,2,0,0,0,0|2,0,0]=4 206 B6R0.1 COC(=O)CCBr CS18993 [0,2,0,0,0,0|2,0,0]=4 207 B6R0.1 COC(=O)CCN CS22266 [0,2,0,0,0,0|2,0,0]=4 208 B6R0.1 COCC(=O)NN CS11580 [0,2,0,0,0,0|2,0,0]=4 209 B6R0.1 C\C=C\C(=O)OC MC41953 [0,2,0,0,0,0|1,0,1]=4 210 B6R0.1 O=C(CCl)NCO CS14580 [0,2,0,0,0,0|2,0,0]=4 211 B6R0.2 CC(=O)\C=C(/C)N MC105899 [0,2,0,0,0,0|1,0,1]=4 212 B6R0.2 CC(Br)CC(=O)O MC106689 [0,2,0,0,0,0|1,0,0]=3 213 B6R0.2 CC(Br)CC(N)=S MC106193 [0,2,0,0,0,0|1,1,0]=4 214 B6R0.2 CC(C)=CC(=O)O CS14947 [0,2,0,0,0,0|1,0,1]=4 215 B6R0.2 CC(N)CC(=O)O CS19028 [0,2,0,0,0,0|1,0,0]=3 216 B6R0.2 CC(N)CC(=O)O CS20346 [0,2,0,0,0,0|1,0,0]=3 217 B6R0.2 CC(N)CC(=O)O MC439098 [0,2,0,0,0,0|1,0,0]=3 218 B6R0.2 CC(O)CC(=O)O MC426020 [0,2,0,0,0,0|1,0,0]=3 219 B6R0.2 CC(O)CC(=O)O MC426021 [0,2,0,0,0,0|1,0,0]=3 220 B6R0.2 CC(O)CC(=O)[O-] CS20253 [0,2,0,0,0,0|1,0,0]=3 221 B6R0.2 CN(C)CC(=O)O CS13413 [0,2,0,0,0,0|2,0,0]=4 222 B6R0.2 NC([SeH])CC(=O)O MC435590 [0,2,0,0,0,0|2,0,0]=4 223 B6R0.2 NC([SeH])CC(=O)O MC435591 [0,2,0,0,0,0|2,0,0]=4 224 B6R0.3 CC(CN)C(=O)O MC105846 [0,2,0,0,0,0|2,0,0]=4 225 B6R0.3 CC(CN)C(=O)O MC105847 [0,2,0,0,0,0|2,0,0]=4 226 B6R0.3 CCC(=O)C(=O)O CS21626 [0,2,0,0,0,0|1,0,0]=3 227 B6R0.3 CCC(Br)C(=O)O MC426015 [0,2,0,0,0,0|1,0,0]=3 228 B6R0.3 CCC(Cl)C(=O)O MC426016 [0,2,0,0,0,0|1,0,0]=3 229 B6R0.3 CCC(N)C(=O)O CS13661 [0,2,0,0,0,0|1,0,0]=3 230 B6R0.3 CCC(N)C(=O)O CS14054 [0,2,0,0,0,0|1,0,0]=3 231 B6R0.3 CCC(N)C(=O)O CS14084 [0,2,0,0,0,0|1,0,0]=3 232 B6R0.3 CCC(N)C(N)=O CS15891 [0,2,0,0,0,0|1,0,0]=3 233 B6R0.3 CCC(N)C(N)=O MC436006 [0,2,0,0,0,0|1,0,0]=3 234 B6R0.3 CNC(C)C(=O)O MC428068 [0,2,0,0,0,0|2,0,0]=4 235 B6R0.3 CNC(C)C(=O)O MC428076 [0,2,0,0,0,0|2,0,0]=4 236 B6R0.3 CNC(C)C(=O)O MC428084 [0,2,0,0,0,0|2,0,0]=4 237 B6R0.3 COC(C)C(=O)O CS14024 [0,2,0,0,0,0|2,0,0]=4 238 B6R0.3 COC(C)C(=O)O MC425243 [0,2,0,0,0,0|2,0,0]=4 239 B6R0.3 CON(C)C(C)=O CS11789 [0,2,0,0,0,0|2,0,0]=4 240 B6R0.3 NC(=O)C(N)CO MC438160 [0,2,0,0,0,0|2,0,0]=4 241 B6R0.3 NC(CCl)C(=O)O MC436849 [0,2,0,0,0,0|2,0,0]=4 242 B6R0.3 NC(CCl)C(=O)O MC436850 [0,2,0,0,0,0|2,0,0]=4 243 B6R0.3 NC(CCl)C(=O)O MC436851 [0,2,0,0,0,0|2,0,0]=4 244 B6R0.3 NC(CCl)C(=O)O MC436852 [0,2,0,0,0,0|2,0,0]=4 245 B6R0.3 NC(CF)C(=O)O MC437009 [0,2,0,0,0,0|2,0,0]=4 246 B6R0.3 NC(CO)C(=O)O CS14731 [0,2,0,0,0,0|2,0,0]=4 247 B6R0.3 NC(CO)C(=O)O CS18949 [0,2,0,0,0,0|2,0,0]=4 248 B6R0.3 NC(CO)C(=O)O CS19144 [0,2,0,0,0,0|2,0,0]=4 249 B6R0.3 NC(CS)C(=O)O CS19113 [0,2,0,0,0,0|2,0,0]=4 250 B6R0.3 NC(CS)C(=O)O CS19417 [0,2,0,0,0,0|2,0,0]=4 251 B6R0.3 NC(CS)C(=O)O CS19655 [0,2,0,0,0,0|2,0,0]=4 252 B6R0.3 NC(CS)C(=O)O MC428046 [0,2,0,0,0,0|2,0,0]=4 253 B6R0.3 NC(CS)C(=O)O MC436887 [0,2,0,0,0,0|2,0,0]=4 254 B6R0.3 NC(CS)C(=O)O MC436888 [0,2,0,0,0,0|2,0,0]=4 255 B6R0.3 NC(CS)C(=O)O MC439001 [0,2,0,0,0,0|2,0,0]=4 256 B6R0.3 NC(C[SeH])C(=O)O MC435423 [0,2,0,0,0,0|2,0,0]=4 257 B6R0.3 NCC(N)C(=O)O CS14756 [0,2,0,0,0,0|2,0,0]=4 258 B6R0.3 NCC(N)C(=O)O CS19624 [0,2,0,0,0,0|2,0,0]=4 259 B6R0.3 NCC(N)C(=O)O CS19672 [0,2,0,0,0,0|2,0,0]=4 260 B6R0.3 NCC(O)C(=O)O CS20294 [0,2,0,0,0,0|2,0,0]=4 261 B6R0.3 NCC(O)C(=O)O MC437816 [0,2,0,0,0,0|2,0,0]=4 262 B6R0.3 O=C(O)C(Br)CBr CS15215 [0,2,0,0,0,0|2,0,0]=4 263 B6R0.3 O=C(O)C(O)CCl MC10790 [0,2,0,0,0,0|2,0,0]=4 264 B6R0.3 O=C([O-])C(=O)CBr MC34359 [0,2,0,0,0,0|2,0,0]=4 265 B6R0.4 C#CCCC(=O)Cl MC106035 [0,2,0,0,0,0|1,0,1]=4 266 B6R0.4 C#CCCC(=O)O MC428029 [0,2,0,0,0,0|1,0,1]=4 267 B6R0.4 C#CCCC(N)=O MC106194 [0,2,0,0,0,0|1,0,1]=4 268 B6R0.4 C=CCCC(=O)O CS15216 [0,2,0,0,0,0|1,0,1]=4 269 B6R0.4 CC(=O)CCCBr CS10305 [0,2,0,0,0,0|1,0,0]=3 270 B6R0.4 CC(=O)CCCCl CS10334 [0,2,0,0,0,0|1,0,0]=3 271 B6R0.4 CC(=O)NCCCl MC33011 [0,2,0,0,0,0|1,0,0]=3 272 B6R0.4 CC(C)CCC=O MC428026 [0,2,0,0,0,0|1,0,0]=3 273 B6R0.4 CCCCC(=O)Cl MC40508 [0,2,0,0,0,0|1,0,0]=3 274 B6R0.4 CN(C)\C=C\C=O MC42238 [0,2,0,0,0,0|1,0,1]=4 275 B6R0.4 CO\C=C\C(C)=O MC33352 [0,2,0,0,0,0|1,0,1]=4 276 B6R0.4 N#CCCC(=O)O CS22262 [0,2,0,0,0,0|1,0,1]=4 277 B6R0.4 NCCCC(=O)O CS14998 [0,2,0,0,0,0|1,0,0]=3 278 B6R0.4 NCCCC(N)=O MC112262 [0,2,0,0,0,0|1,0,0]=3 279 B6R0.4 O=C(Cl)CCCCl MC40450 [0,2,0,0,0,0|1,0,0]=3 280 B6R0.4 O=C(O)CCCBr CS14053 [0,2,0,0,0,0|1,0,0]=3 281 B6R0.5 CC(C)(C)CC=O MC20142 [0,2,0,0,0,0|1,0,0]=3 282 B6R0.5 CCCS(=O)(=O)Cl MC20992 [0,2,0,0,0,0|2,0,0]=4 283 B6R0.5 CCCS(=O)(=O)O MC32073 [0,2,0,0,0,0|2,0,0]=4 284 B6R0.5 CCCS(=O)(=O)[O-] MC32074 [0,2,0,0,0,0|2,0,0]=4 285 B6R0.5 CCCS(N)(=O)=O MC32075 [0,2,0,0,0,0|2,0,0]=4 286 B6R0.5 CCOS(C)(=O)=O MC445528 [0,2,0,0,0,0|1,0,0]=3 287 B6R0.5 O=S(=O)(Cl)OCCl MC20939 [0,2,0,0,0,0|2,0,0]=4 288 B6R0.6 C=CCCCCCl MC427568 [0,2,0,0,0,0|2,0,0]=4 289 B6R0.6 C=CCCCCN MC111853 [0,2,0,0,0,0|2,0,0]=4 290 B6R0.6 C=CCCCCO CS10397 [0,2,0,0,0,0|2,0,0]=4 291 B6R0.6 C=CCCC[Zn]Br MC121349 [0,2,0,0,0,0|2,0,0]=4 292 B6R0.6 C=COCCCN MC41859 [0,2,0,0,0,0|1,0,0]=3 293 B6R0.6 C=COCCON MC106384 [0,2,0,0,0,0|1,0,0]=3 294 B6R0.6 CCCOCCCl MC428009 [0,2,0,0,0,0|1,0,1]=4 295 B6R0.6 COCCCC=O MC111975 [0,2,0,0,0,0|1,0,0]=3 296 B6R0.6 ClCCOCCCl MC41873 [0,2,0,0,0,0|1,0,1]=4 297 B6R0.6 OCCOCCO MC41893 [0,2,0,0,0,0|0,0,2]=4 298 B6R0.6 SCCOCCS MC112783 [0,2,0,0,0,0|0,1,1]=4 299 B6R0.8 CC(C)(C=O)CO MC21089 [0,2,0,0,0,0|2,0,0]=4 300 B6R0.8 CCC(Br)(Br)C=O MC106928 [0,2,0,0,0,0|1,0,0]=3 301 B4R1.1 C1CNC1 CS14211 [1,0,0,1,0,0|1,0,1]=4 302 B4R1.1 C1CNC1 MC445038 [1,0,0,1,0,0|1,0,1]=4 303 B4R1.2 BrC1CC1 CS19063 [1,0,0,1,0,0|1,0,1]=4 304 B4R1.2 CC1=CC1 MC20873 [1,0,0,1,0,0|1,0,1]=4 305 B4R1.2 CC1CO1 MC428272 [1,0,0,1,0,0|0,0,1]=3 306 B4R1.2 OC1CC1 MC443565 [1,0,0,1,0,0|0,0,2]=4 307 B6R1.2 BrC1CCOC1 CS14643 [0,1,0,1,0,0|1,0,1]=4 308 B6R1.2 CC1=CC=CO1 MC41695 [0,1,0,1,0,0|1,0,1]=4 309 B6R1.2 CC1=COC=N1 MC427478 [0,1,0,1,0,0|1,0,1]=4 310 B6R1.2 CC1=NC=CO1 CS11827 [0,1,0,1,0,0|1,0,1]=4 311 B6R1.2 CC1=NCCC1 CS21664 [0,1,0,1,0,0|2,0,0]=4 312 B6R1.2 CC1=NN=CO1 CS12863 [0,1,0,1,0,0|1,0,1]=4 313 B6R1.2 CC1=NOC=C1 CS11533 [0,1,0,1,0,0|1,0,1]=4 314 B6R1.2 CC1CCCO1 MC20580 [0,1,0,1,0,0|1,0,1]=4 315 B6R1.2 IC1CCOC1 MC101926 [0,1,0,1,0,0|1,0,1]=4 316 B6R1.2 NC1=NCCC1 CS19310 [0,1,0,1,0,0|2,0,0]=4 317 B6R1.2 NC1CC=CC1 CS19415 [0,1,0,1,0,0|2,0,0]=4 318 B6R1.2 NC1CCOC1 CS12010 [0,1,0,1,0,0|1,0,1]=4 319 B6R1.2 NC1CCOC1 CS13003 [0,1,0,1,0,0|1,0,1]=4 320 B6R1.2 NC1CCOC1 CS20366 [0,1,0,1,0,0|1,0,1]=4 321 B6R1.2 NC1CCOC1 MC443324 [0,1,0,1,0,0|1,0,1]=4 322 B6R1.2 NC1CCOC1 MC444237 [0,1,0,1,0,0|1,0,1]=4 323 B6R1.2 O=C1C=CON1 MC442265 [0,1,0,1,0,0|0,0,2]=4 324 B6R1.2 O=C1CC=NN1 CS20496 [0,1,0,1,0,0|1,0,1]=4 325 B6R1.2 O=C1CCCC1 MC21085 [0,1,0,1,0,0|1,0,0]=3 326 B6R1.2 O=C1CCNC1 CS22412 [0,1,0,1,0,0|1,0,0]=3 327 B6R1.2 O=C1CCOC1 CS18178 [0,1,0,1,0,0|0,0,0]=2 328 B6R1.2 O=C1CCSC1 MC20305 [0,1,0,1,0,0|0,1,0]=3 329 B6R1.2 O=C1CNCN1 CS15654 [0,1,0,1,0,0|1,0,0]=3 330 B6R1.2 O=C1NCCN1 CS21607 [0,1,0,1,0,0|1,0,0]=3 331 B6R1.2 O=C1NCCS1 CS20525 [0,1,0,1,0,0|0,1,0]=3 332 B6R1.2 O=C1OCCO1 CS20012 [0,1,0,1,0,0|0,0,0]=2 333 B6R1.2 OC1CC=CC1 MC10342 [0,1,0,1,0,0|2,0,0]=4 334 B6R1.2 OC1CCOC1 CS20284 [0,1,0,1,0,0|0,0,2]=4 335 B6R1.2 OC1CCOC1 MC42235 [0,1,0,1,0,0|0,0,2]=4 336 B6R1.2 OC1CCOC1 MC444279 [0,1,0,1,0,0|0,0,2]=4 337 B6R1.3 O=C=NC1CC1 MC418391 [0,1,0,1,0,0|1,0,1]=4 338 B6R1.5 NC1CC(=O)C1 MC444232 [0,1,0,1,0,0|1,0,0]=3 339 B6R1.5 O=C1CC(F)C1 MC104154 [0,1,0,1,0,0|1,0,0]=3 340 B6R1.11 N=C(N)C1CC1 CS16535 [0,1,0,1,0,0|2,0,0]=4 341 B6R1.11 NC(=O)C1CC1 CS16456 [0,1,0,1,0,0|1,0,0]=3 342 B6R1.11 NC(=S)C1CC1 MC21067 [0,1,0,1,0,0|1,1,0]=4 343 B6R1.11 O=C(Cl)C1CC1 MC434039 [0,1,0,1,0,0|1,0,0]=3 344 B6R1.11 O=C(O)C1CC1 CS13839 [0,1,0,1,0,0|1,0,0]=3 345 B6R1.11 O=C([O-])C1CO1 CS17514 [0,1,0,1,0,0|2,0,0]=4 346 B6R1.1 C1=CCNCC1 MC444071 [0,1,0,1,0,0|2,0,0]=4 347 B6R1.1 C1=CCOCC1 MC427315 [0,1,0,1,0,0|1,0,0]=3 348 B6R1.1 C1=CCSCC1 MC427366 [0,1,0,1,0,0|1,1,0]=4 349 B6R1.1 C1=COCCC1 MC20500 [0,1,0,1,0,0|1,0,0]=3 350 B6R1.1 C1COCCN1 MC20726 [0,1,0,1,0,0|1,0,1]=4 351 B6R1.4 CC1COC1=O MC121237 [0,1,0,1,0,0|0,0,0]=2 352 B6R1.6 BrCC1CCO1 MC444177 [0,1,0,1,0,0|1,0,1]=4 353 B6R1.6 NCC1CCO1 MC121118 [0,1,0,1,0,0|1,0,1]=4 354 B6R1.6 OCC1CCO1 CS15009 [0,1,0,1,0,0|0,0,2]=4