0 B5R0.1 C=C(C)CCBr CS14513 [0,0,0,0,0,0|1,0,2]=3 1 B5R0.1 CC(=O)\C=N\O CS11520 [0,0,0,0,0,0|2,0,0]=2 2 B5R0.1 CC(=O)\C=N\O CS18968 [0,0,0,0,0,0|2,0,0]=2 3 B5R0.1 CC(C)=CCBr MC41900 [0,0,0,0,0,0|1,0,0]=1 4 B5R0.1 CC(C)CC=O CS11530 [0,0,0,0,0,0|0,0,4]=4 5 B5R0.1 CC(C)SC#N MC41971 [0,0,0,0,0,0|2,0,2]=4 6 B5R0.1 CC(N)CCO CS14355 [0,0,0,0,0,0|1,0,2]=3 7 B5R0.1 CC(N)CCO CS14356 [0,0,0,0,0,0|1,0,2]=3 8 B5R0.1 CC(N)CCO CS22096 [0,0,0,0,0,0|1,0,2]=3 9 B5R0.1 CCCC(C)=O CS21731 [0,0,0,0,0,0|2,0,1]=3 10 B5R0.1 CCOC(=N)N CS11818 [0,0,0,0,0,0|4,0,0]=4 11 B5R0.1 CN(C)CC=O CS17734 [0,0,0,0,0,0|1,0,3]=4 12 B5R0.1 CN(C)CCBr CS10949 [0,0,0,0,0,0|2,0,1]=3 13 B5R0.1 CN(C)CCCl CS14471 [0,0,0,0,0,0|2,0,1]=3 14 B5R0.1 CN(C)CCCl CS17225 [0,0,0,0,0,0|2,0,1]=3 15 B5R0.1 CN(C)CCN CS18603 [0,0,0,0,0,0|2,0,1]=3 16 B5R0.1 CN(C)CCO CS11733 [0,0,0,0,0,0|1,0,1]=2 17 B5R0.1 C\C=C\C(=O)O MC41882 [0,0,0,0,0,0|3,0,1]=4 18 B5R0.1 NCCC(=O)O CS13499 [0,0,0,0,0,0|3,0,1]=4 19 B5R0.1 NCCC(N)=O MC436150 [0,0,0,0,0,0|3,0,1]=4 20 B5R0.1 O=C(O)CCO MC20638 [0,0,0,0,0,0|2,0,1]=3 21 B4R0.1 C=CC(N)=O MC41857 [1,0,0,0,0,0|2,0,1]=4 22 B4R0.1 CC(=O)CBr MC20986 [1,0,0,0,0,0|2,0,0]=3 23 B4R0.1 CC(=O)CN CS10921 [1,0,0,0,0,0|2,0,0]=3 24 B4R0.1 CC(=O)CO CS11467 [1,0,0,0,0,0|1,0,0]=2 25 B4R0.1 CC(=O)NN CS10881 [1,0,0,0,0,0|3,0,0]=4 26 B4R0.1 CC(=O)NO CS14961 [1,0,0,0,0,0|2,0,0]=3 27 B4R0.1 CC(C)=NO CS10884 [1,0,0,0,0,0|1,0,0]=2 28 B4R0.1 CC(C)C#N MC41920 [1,0,0,0,0,0|1,0,2]=4 29 B4R0.1 CC(C)NN CS11525 [1,0,0,0,0,0|2,0,1]=4 30 B4R0.1 CC(C)ON CS13668 [1,0,0,0,0,0|2,0,1]=4 31 B4R0.1 CC(C)[Zn]Br MC121350 [1,0,0,0,0,0|2,0,1]=4 32 B4R0.1 CC(Cl)CO CS20251 [1,0,0,0,0,0|1,0,1]=3 33 B4R0.1 CC(Cl)CO MC428270 [1,0,0,0,0,0|1,0,1]=3 34 B4R0.1 CC(N)CN CS20323 [1,0,0,0,0,0|2,0,1]=4 35 B4R0.1 CC(N)CN MC10147 [1,0,0,0,0,0|2,0,1]=4 36 B4R0.1 CC(N)CO CS14182 [1,0,0,0,0,0|1,0,1]=3 37 B4R0.1 CC(N)CO CS19476 [1,0,0,0,0,0|1,0,1]=3 38 B4R0.1 CC(N)CO CS21310 [1,0,0,0,0,0|1,0,1]=3 39 B4R0.1 CC(O)CCl MC20696 [1,0,0,0,0,0|2,0,1]=4 40 B4R0.1 CC(O)CCl MC20697 [1,0,0,0,0,0|2,0,1]=4 41 B4R0.1 CC(O)CN CS14075 [1,0,0,0,0,0|2,0,1]=4 42 B4R0.1 CC(O)CO MC20330 [1,0,0,0,0,0|1,0,1]=3 43 B4R0.1 CCC(C)O MC10786 [1,0,0,0,0,0|1,0,2]=4 44 B4R0.1 CCC(N)=O CS11886 [1,0,0,0,0,0|2,0,1]=4 45 B4R0.1 CNC(N)=O MC10792 [1,0,0,0,0,0|3,0,0]=4 46 B4R0.1 CNC(N)=S CS11797 [1,0,0,0,0,0|3,0,0]=4 47 B4R0.1 COC(N)=O CS11667 [1,0,0,0,0,0|3,0,0]=4 48 B4R0.1 COC(N)=[NH2+] CS11820 [1,0,0,0,0,0|3,0,0]=4 49 B4R0.1 CSC(=N)N MC41956 [1,0,0,0,0,0|3,0,0]=4 50 B4R0.1 C\C(N)=N\O CS10879 [1,0,0,0,0,0|2,0,0]=3 51 B4R0.1 C\C=C(/C)Br MC10255 [1,0,0,0,0,0|1,0,0]=2 52 B4R0.1 NC(=O)CBr CS21389 [1,0,0,0,0,0|3,0,0]=4 53 B4R0.1 NCC(=O)O CS19951 [1,0,0,0,0,0|3,0,0]=4 54 B4R0.1 NCC(=O)[O-] CS10910 [1,0,0,0,0,0|3,0,0]=4 55 B4R0.1 NCC(=O)[O-] MC20522 [1,0,0,0,0,0|3,0,0]=4 56 B4R0.1 NCC(N)=O CS13806 [1,0,0,0,0,0|3,0,0]=4 57 B4R0.1 NCC(N)=O MC437712 [1,0,0,0,0,0|3,0,0]=4 58 B4R0.1 O=C(Cl)CBr MC21000 [1,0,0,0,0,0|3,0,0]=4 59 B4R0.1 O=C(O)CCl MC41871 [1,0,0,0,0,0|3,0,0]=4 60 B4R0.1 O=C(O)CO CS19334 [1,0,0,0,0,0|2,0,0]=3 61 B4R0.1 O=C([O-])CCl MC41872 [1,0,0,0,0,0|3,0,0]=4 62 B4R0.1 O=S([O-])CO CS11936 [1,0,0,0,0,0|3,0,0]=4 63 B4R0.1 OCC(F)F CS20974 [1,0,0,0,0,0|2,0,1]=4 64 B4R0.1 ON=C(Br)Br CS18455 [1,0,0,0,0,0|3,0,0]=4 65 B4R0.2 C=COCC MC41915 [1,0,0,0,0,0|2,0,1]=4 66 B4R0.2 CCCC=O MC41868 [1,0,0,0,0,0|2,0,1]=4 67 B4R0.2 CCCCO MC41869 [1,0,0,0,0,0|0,0,2]=3 68 B4R0.2 CCNCC CS11240 [1,0,0,0,0,0|2,0,1]=4 69 B4R0.2 CCOC=N MC33024 [1,0,0,0,0,0|3,0,0]=4 70 B4R0.2 CCOC=O MC41912 [1,0,0,0,0,0|3,0,0]=4 71 B4R0.2 CCOCC MC41960 [1,0,0,0,0,0|2,0,1]=4 72 B4R0.2 CC[Zn]CC MC10752 [1,0,0,0,0,0|2,0,1]=4 73 B4R0.2 CNCCO CS20910 [1,0,0,0,0,0|1,0,1]=3 74 B4R0.2 COCCCl MC428007 [1,0,0,0,0,0|2,0,1]=4 75 B4R0.2 C\C=C\C=O MC41879 [1,0,0,0,0,0|0,0,2]=3 76 B6R0.1 CCC(C)CCBr MC112369 [0,1,0,0,0,0|1,0,2]=4 77 B6R0.1 CCCC(C)CBr MC112368 [0,1,0,0,0,0|1,0,2]=4 78 B6R0.1 CCNC(=O)NC MC428152 [0,1,0,0,0,0|3,0,0]=4 79 B6R0.1 CCOC(=O)CBr MC41907 [0,1,0,0,0,0|3,0,0]=4 80 B6R0.1 CCOC(=O)CCl MC41910 [0,1,0,0,0,0|3,0,0]=4 81 B6R0.1 CCOC(=O)CN CS15347 [0,1,0,0,0,0|3,0,0]=4 82 B6R0.1 CCOC(=O)CO CS11386 [0,1,0,0,0,0|3,0,0]=4 83 B6R0.1 CNC(=O)CCN MC112263 [0,1,0,0,0,0|2,0,1]=4 84 B6R0.1 COC(=O)CCBr CS18993 [0,1,0,0,0,0|2,0,1]=4 85 B6R0.1 COC(=O)CCN CS22266 [0,1,0,0,0,0|2,0,1]=4 86 B6R0.1 COC(=O)\C=C\I MC20613 [0,1,0,0,0,0|2,0,1]=4 87 B6R0.1 C\C=C\C(=O)OC MC41953 [0,1,0,0,0,0|2,0,1]=4 88 B6R0.1 O=C(CCl)NCO CS14580 [0,1,0,0,0,0|2,0,0]=3 89 B6R0.1 OCCC(O)CO MC42234 [0,1,0,0,0,0|1,0,2]=4 90 B6R0.2 CC(=O)\C=C(/C)N MC105899 [0,1,0,0,0,0|1,0,2]=4 91 B6R0.2 CC(C)=CC(=O)O CS14947 [0,1,0,0,0,0|0,0,1]=2 92 B6R0.2 CC(C)CB(O)O CS22276 [0,1,0,0,0,0|1,0,2]=4 93 B6R0.2 CC(C)PC(C)C MC444830 [0,1,0,0,0,0|2,0,1]=4 94 B6R0.2 CC(O)CC(=O)O MC426020 [0,1,0,0,0,0|2,0,1]=4 95 B6R0.2 CC(O)CC(=O)O MC426021 [0,1,0,0,0,0|2,0,1]=4 96 B6R0.2 CC(O)CC(=O)[O-] CS20253 [0,1,0,0,0,0|2,0,1]=4 97 B6R0.2 CN(C)CC(=O)O CS13413 [0,1,0,0,0,0|1,0,2]=4 98 B6R0.3 CC(C)C(C)CO MC113312 [0,1,0,0,0,0|0,0,2]=3 99 B6R0.3 CC(C)C(N)CO CS17224 [0,1,0,0,0,0|0,0,2]=3 100 B6R0.3 CC(C)C(N)CO CS22659 [0,1,0,0,0,0|0,0,2]=3 101 B6R0.3 CC(O)C(N)CO MC438221 [0,1,0,0,0,0|1,0,2]=4 102 B6R0.3 CCC(=O)C(=O)O CS21626 [0,1,0,0,0,0|3,0,0]=4 103 B6R0.3 CN(C)C(=O)CBr CS14025 [0,1,0,0,0,0|2,0,0]=3 104 B6R0.3 CN(C)C(=O)CN CS21306 [0,1,0,0,0,0|2,0,0]=3 105 B6R0.3 CN(C)C(=O)CN MC116188 [0,1,0,0,0,0|2,0,0]=3 106 B6R0.3 CN(C)C(=O)CN MC437713 [0,1,0,0,0,0|2,0,0]=3 107 B6R0.3 COC(=O)C(C)C MC41931 [0,1,0,0,0,0|2,0,1]=4 108 B6R0.3 FC(F)=C(F)CBr MC106285 [0,1,0,0,0,0|3,0,0]=4 109 B6R0.3 NC(=O)C(N)CO MC438160 [0,1,0,0,0,0|2,0,1]=4 110 B6R0.3 NC(CO)C(=O)O CS14731 [0,1,0,0,0,0|2,0,1]=4 111 B6R0.3 NC(CO)C(=O)O CS18949 [0,1,0,0,0,0|2,0,1]=4 112 B6R0.3 NC(CO)C(=O)O CS19144 [0,1,0,0,0,0|2,0,1]=4 113 B6R0.3 O=C([O-])C(=O)CBr MC34359 [0,1,0,0,0,0|3,0,0]=4 114 B6R0.3 OCC(F)=C(F)F MC106204 [0,1,0,0,0,0|2,0,0]=3 115 B6R0.4 CC(=O)CCCBr CS10305 [0,1,0,0,0,0|2,0,1]=4 116 B6R0.4 CC(=O)CCCCl CS10334 [0,1,0,0,0,0|2,0,1]=4 117 B6R0.4 CC(=O)NCCCl MC33011 [0,1,0,0,0,0|2,0,1]=4 118 B6R0.4 CC(C)=CC[Mg]Cl MC116049 [0,1,0,0,0,0|1,0,0]=2 119 B6R0.4 CC(C)=CC[Zn]Cl MC116080 [0,1,0,0,0,0|1,0,0]=2 120 B6R0.4 CC(C)CCC=O MC428026 [0,1,0,0,0,0|0,0,3]=4 121 B6R0.4 CC(C)CCCO MC428025 [0,1,0,0,0,0|0,0,2]=3 122 B6R0.4 CC(C)NCCN MC20461 [0,1,0,0,0,0|1,0,2]=4 123 B6R0.4 CN(C)CCCBr CS22184 [0,1,0,0,0,0|2,0,1]=4 124 B6R0.4 CN(C)CCCCl CS13505 [0,1,0,0,0,0|2,0,1]=4 125 B6R0.4 CN(C)CCCCl CS14943 [0,1,0,0,0,0|2,0,1]=4 126 B6R0.4 CN(C)\C=C\C=O MC42238 [0,1,0,0,0,0|1,0,2]=4 127 B6R0.4 CNCCN(C)C CS11723 [0,1,0,0,0,0|2,0,1]=4 128 B6R0.4 CNCCN(C)C CS15131 [0,1,0,0,0,0|2,0,1]=4 129 B6R0.4 CO\C=C\C(C)=O MC33352 [0,1,0,0,0,0|1,0,1]=3 130 B6R0.5 CC(C)(C)CCO CS21905 [0,1,0,0,0,0|0,0,2]=3 131 B6R0.5 CC(C)(F)CCN MC116087 [0,1,0,0,0,0|1,0,2]=4 132 B6R0.5 CC(C)(O)CCBr CS15788 [0,1,0,0,0,0|1,0,2]=4 133 B6R0.5 C[Si](C)(C)C=[N+]=[N-] MC116193 [0,1,0,0,0,0|2,1,0]=4 134 B6R1.2 BrC1=COC=C1 CS19877 [0,0,0,1,0,0|1,0,2]=4 135 B6R1.2 BrC1=NOC=C1 MC113742 [0,0,0,1,0,0|2,0,1]=4 136 B6R1.2 BrC1CCOC1 CS14643 [0,0,0,1,0,0|1,0,2]=4 137 B6R1.2 CC1=CC=CN1 CS21660 [0,0,0,1,0,0|2,0,1]=4 138 B6R1.2 CC1=CC=CO1 MC41695 [0,0,0,1,0,0|2,0,1]=4 139 B6R1.2 CC1=CC=CS1 CS21701 [0,0,0,1,0,0|2,0,1]=4 140 B6R1.2 CC1=CC=NN1 MC21108 [0,0,0,1,0,0|2,0,1]=4 141 B6R1.2 CC1=CN=CS1 CS10460 [0,0,0,1,0,0|3,0,0]=4 142 B6R1.2 CC1=CNC=C1 MC20689 [0,0,0,1,0,0|1,0,2]=4 143 B6R1.2 CC1=CNC=N1 MC20397 [0,0,0,1,0,0|3,0,0]=4 144 B6R1.2 CC1=CNN=C1 CS22982 [0,0,0,1,0,0|2,0,1]=4 145 B6R1.2 CC1=CNN=N1 CS12910 [0,0,0,1,0,0|3,0,0]=4 146 B6R1.2 CC1=COC=N1 MC427478 [0,0,0,1,0,0|1,0,2]=4 147 B6R1.2 CC1=CSC=N1 CS15621 [0,0,0,1,0,0|3,0,0]=4 148 B6R1.2 CC1=NCCC1 CS21664 [0,0,0,1,0,0|2,0,0]=3 149 B6R1.2 CC1=NNC=C1 CS13720 [0,0,0,1,0,0|2,0,1]=4 150 B6R1.2 CC1=NOC=C1 CS11533 [0,0,0,1,0,0|1,0,1]=3 151 B6R1.2 CC1CCCN1 CS18299 [0,0,0,1,0,0|2,0,1]=4 152 B6R1.2 CC1CCCN1 CS18800 [0,0,0,1,0,0|2,0,1]=4 153 B6R1.2 CC1CCCN1 CS19735 [0,0,0,1,0,0|2,0,1]=4 154 B6R1.2 CC1CCCN1 CS21699 [0,0,0,1,0,0|2,0,1]=4 155 B6R1.2 CC1CCCN1 CS21700 [0,0,0,1,0,0|2,0,1]=4 156 B6R1.2 CC1CCCN1 MC428345 [0,0,0,1,0,0|2,0,1]=4 157 B6R1.2 CC1CCCO1 MC20580 [0,0,0,1,0,0|2,0,1]=4 158 B6R1.2 IC1CCOC1 MC101926 [0,0,0,1,0,0|1,0,2]=4 159 B6R1.2 NC1=CON=C1 CS15739 [0,0,0,1,0,0|2,0,1]=4 160 B6R1.2 NC1=NCCC1 CS19310 [0,0,0,1,0,0|3,0,0]=4 161 B6R1.2 NC1=NOC=C1 CS14368 [0,0,0,1,0,0|2,0,1]=4 162 B6R1.2 NC1CCOC1 CS12010 [0,0,0,1,0,0|1,0,2]=4 163 B6R1.2 NC1CCOC1 CS13003 [0,0,0,1,0,0|1,0,2]=4 164 B6R1.2 NC1CCOC1 CS20366 [0,0,0,1,0,0|1,0,2]=4 165 B6R1.2 NC1CCOC1 MC443324 [0,0,0,1,0,0|1,0,2]=4 166 B6R1.2 NC1CCOC1 MC444237 [0,0,0,1,0,0|1,0,2]=4 167 B6R1.2 O=C1C=CON1 MC442265 [0,0,0,1,0,0|2,0,1]=4 168 B6R1.2 O=C1CCCC1 MC21085 [0,0,0,1,0,0|2,0,1]=4 169 B6R1.2 O=C1CCNC1 CS22412 [0,0,0,1,0,0|2,0,1]=4 170 B6R1.2 O=C1CCOC1 CS18178 [0,0,0,1,0,0|1,0,1]=3 171 B6R1.2 O=C1CCSC1 MC20305 [0,0,0,1,0,0|1,1,1]=4 172 B6R1.2 O=C1CNCN1 CS15654 [0,0,0,1,0,0|3,0,0]=4 173 B6R1.2 OC1CCOC1 CS20284 [0,0,0,1,0,0|1,0,2]=4 174 B6R1.2 OC1CCOC1 MC42235 [0,0,0,1,0,0|1,0,2]=4 175 B6R1.2 OC1CCOC1 MC444279 [0,0,0,1,0,0|1,0,2]=4 176 B6R1.3 NCCC1CC1 MC425320 [0,0,0,1,0,0|1,0,2]=4 177 B6R1.3 NCCN1CC1 MC100405 [0,0,0,1,0,0|2,0,1]=4 178 B6R1.3 OCCC1CC1 MC433884 [0,0,0,1,0,0|0,0,2]=3 179 B6R1.5 CC1CC(N)C1 MC105778 [0,0,0,1,0,0|1,0,2]=4 180 B6R1.5 CN1CC(N)C1 MC444125 [0,0,0,1,0,0|2,0,1]=4 181 B6R1.5 CN1CC(O)C1 MC444271 [0,0,0,1,0,0|1,0,1]=3 182 B6R1.5 CN1CC(O)C1 MC444272 [0,0,0,1,0,0|1,0,1]=3 183 B6R1.5 NC1CC(=O)C1 MC444232 [0,0,0,1,0,0|2,0,1]=4 184 B6R1.5 NC1CC(O)C1 MC105248 [0,0,0,1,0,0|1,0,2]=4 185 B6R1.5 NC1CC(O)C1 MC105286 [0,0,0,1,0,0|1,0,2]=4 186 B6R1.5 NC1CC(O)C1 MC444231 [0,0,0,1,0,0|1,0,2]=4 187 B6R1.5 NC1CC(O)C1 MC444480 [0,0,0,1,0,0|1,0,2]=4 188 B6R1.5 NC1CC(O)C1 MC444598 [0,0,0,1,0,0|1,0,2]=4 189 B6R1.5 O=C1CC(F)C1 MC104154 [0,0,0,1,0,0|2,0,1]=4 190 B6R1.5 OC1CC(F)C1 MC103711 [0,0,0,1,0,0|1,0,2]=4 191 B6R1.5 OC1CC(F)C1 MC104375 [0,0,0,1,0,0|1,0,2]=4 192 B6R1.5 OC1CC(F)C1 MC104868 [0,0,0,1,0,0|1,0,2]=4 193 B6R1.8 OCC1CC1F MC102847 [0,0,0,1,0,0|1,0,2]=4 194 B6R1.8 OCC1CC1F MC102848 [0,0,0,1,0,0|1,0,2]=4 195 B6R1.8 OCC1CC1F MC102849 [0,0,0,1,0,0|1,0,2]=4 196 B6R1.8 OCC1CC1F MC102850 [0,0,0,1,0,0|1,0,2]=4 197 B6R1.11 O=C([O-])C1CO1 CS17514 [0,0,0,1,0,0|2,0,1]=4 198 B3R0.1 C=CCBr MC41858 [2,0,0,0,0,0|1,0,0]=3 199 B3R0.1 C=C[Mg]Br MC10627 [2,0,0,0,0,0|2,0,0]=4 200 B3R0.1 CNOC CS13986 [2,0,0,0,0,0|2,0,0]=4 201 B3R0.1 COCCl MC41874 [2,0,0,0,0,0|2,0,0]=4 202 B3R0.1 C\C=C\C MC428373 [2,0,0,0,0,0|0,0,0]=2 203 B3R0.1 Cl\C=C\Cl MC41969 [2,0,0,0,0,0|2,0,0]=4 204 B3R0.2 C=C(C)Br MC440274 [2,0,0,0,0,0|1,0,0]=3 205 B3R0.2 CC(=O)Cl MC40433 [2,0,0,0,0,0|1,0,1]=4 206 B3R0.2 CC(=O)O CS19761 [2,0,0,0,0,0|1,0,0]=3 207 B3R0.2 CC(=O)[O-] CS11168 [2,0,0,0,0,0|1,0,1]=4 208 B3R0.2 CC(=O)[O-] CS11832 [2,0,0,0,0,0|1,0,1]=4 209 B3R0.2 CC(=O)[O-] MC41921 [2,0,0,0,0,0|1,0,1]=4 210 B3R0.2 CC(C)Br MC41864 [2,0,0,0,0,0|1,0,1]=4 211 B3R0.2 CC(N)=O MC40849 [2,0,0,0,0,0|1,0,1]=4 212 B3R0.2 CC(O)=S MC434055 [2,0,0,0,0,0|1,0,0]=3 213 B3R0.2 C[PH](C)=O MC21075 [2,0,0,0,0,0|1,0,1]=4 214 B5R0.3 C=C(CO)CO CS21689 [1,1,0,0,0,0|0,0,1]=3 215 B5R0.3 CCC(N)CO CS15119 [1,1,0,0,0,0|1,0,1]=4 216 B5R0.3 CCC(N)CO MC10528 [1,1,0,0,0,0|1,0,1]=4 217 B5R0.3 CCC(N)CO MC20718 [1,1,0,0,0,0|1,0,1]=4 218 B5R0.3 CCC(N)CO MC436159 [1,1,0,0,0,0|1,0,1]=4 219 B5R0.3 CCC(O)CO CS15622 [1,1,0,0,0,0|1,0,1]=4 220 B5R0.3 CNC(=O)CCl MC21094 [1,1,0,0,0,0|2,0,0]=4 221 B5R0.3 CNC(=O)CN MC437710 [1,1,0,0,0,0|2,0,0]=4 222 B5R0.3 COC(=O)CN CS15045 [1,1,0,0,0,0|2,0,0]=4 223 B5R0.3 COC(=O)CO CS19433 [1,1,0,0,0,0|1,0,0]=3 224 B5R0.3 COC(=O)CS MC20578 [1,1,0,0,0,0|1,1,0]=4 225 B5R0.3 COC(C)CN CS17733 [1,1,0,0,0,0|1,0,1]=4 226 B5R0.3 COC(C)CO CS12306 [1,1,0,0,0,0|0,0,1]=3 227 B5R0.3 NC(CO)CO CS18352 [1,1,0,0,0,0|1,0,1]=4 228 B5R0.3 NCC(O)CO CS14832 [1,1,0,0,0,0|1,0,1]=4 229 B5R0.3 NCC(O)CO CS18397 [1,1,0,0,0,0|1,0,1]=4 230 B5R0.3 NCC(O)CO MC20311 [1,1,0,0,0,0|1,0,1]=4 231 B5R0.3 O=C(CO)CO CS11245 [1,1,0,0,0,0|1,0,0]=3 232 B5R0.3 O=CC(=O)CO MC427604 [1,1,0,0,0,0|1,0,1]=4 233 B5R0.3 OCC(O)CCl CS15061 [1,1,0,0,0,0|1,0,1]=4 234 B5R0.3 OCC(O)CCl MC20314 [1,1,0,0,0,0|1,0,1]=4 235 B5R0.4 CC(C)(C)C=O MC20070 [1,1,0,0,0,0|0,0,2]=4 236 B5R0.4 CC(C)(C)CN CS11775 [1,1,0,0,0,0|1,0,1]=4 237 B5R0.4 CC(C)(F)CO MC429446 [1,1,0,0,0,0|0,0,1]=3 238 B5R0.4 CC(C)(N)CN MC443126 [1,1,0,0,0,0|1,0,1]=4 239 B5R0.4 CC(C)(O)CN CS20593 [1,1,0,0,0,0|1,0,1]=4 240 B5R0.4 CC(C)(S)CN MC434042 [1,1,0,0,0,0|1,0,1]=4 241 B5R0.4 CC(F)(F)CO MC429356 [1,1,0,0,0,0|1,0,1]=4 242 B5R0.5 CC(=O)C(=O)O MC41939 [1,1,0,0,0,0|1,0,0]=3 243 B5R0.5 CC(Br)C(=O)O MC20444 [1,1,0,0,0,0|1,0,1]=4 244 B5R0.5 CC(C)C(=O)Cl MC40490 [1,1,0,0,0,0|0,0,2]=4 245 B5R0.5 CC(C)C(N)=O CS21696 [1,1,0,0,0,0|0,0,2]=4 246 B5R0.5 CC(Cl)C(=O)O MC20315 [1,1,0,0,0,0|1,0,1]=4 247 B5R0.5 CC(Cl)C(=O)O MC436860 [1,1,0,0,0,0|1,0,1]=4 248 B5R0.5 CC(F)C(=O)O MC429445 [1,1,0,0,0,0|1,0,1]=4 249 B5R0.5 CC(N)C(=O)O CS18992 [1,1,0,0,0,0|1,0,1]=4 250 B5R0.5 CC(N)C(=O)O CS19143 [1,1,0,0,0,0|1,0,1]=4 251 B5R0.5 CC(N)C(=O)O MC428047 [1,1,0,0,0,0|1,0,1]=4 252 B5R0.5 CC(O)C(=O)O MC437817 [1,1,0,0,0,0|1,0,1]=4 253 B5R0.5 CN(C)C(=O)Cl MC428263 [1,1,0,0,0,0|1,0,1]=4 254 B5R0.5 CN(C)C(N)=S MC427479 [1,1,0,0,0,0|1,1,0]=4 255 B5R0.5 O=C(O)C(=O)O CS11387 [1,1,0,0,0,0|2,0,0]=4 256 B5R0.5 O=C(O)C(=O)O MC425345 [1,1,0,0,0,0|2,0,0]=4 257 B5R0.2 C#C\C=C\CO MC428290 [1,1,0,0,0,0|0,0,1]=3 258 B5R0.2 C=CCCON MC110761 [1,1,0,0,0,0|0,0,2]=4 259 B5R0.2 CNCCCO CS14200 [1,1,0,0,0,0|0,0,2]=4 260 B5R0.2 CNCCOC MC427349 [1,1,0,0,0,0|1,0,1]=4 261 B5R0.2 COCCCO CS20039 [1,1,0,0,0,0|0,0,2]=4 262 B5R0.2 COCCOC MC41899 [1,1,0,0,0,0|1,0,1]=4 263 B5R0.2 COCCOC MC445008 [1,1,0,0,0,0|1,0,1]=4 264 B5R0.2 C\C=C\C[Pd]Cl MC444919 [1,1,0,0,0,0|1,0,0]=3 265 B5R0.2 ClC\C=C\CCl MC10276 [1,1,0,0,0,0|1,0,0]=3 266 B5R0.2 ClC\C=C\CCl MC10277 [1,1,0,0,0,0|1,0,0]=3 267 B5R0.2 OC\C=C\CCl MC10262 [1,1,0,0,0,0|0,0,0]=2 268 B5R0.2 OC\C=C\CO MC41968 [1,1,0,0,0,0|0,0,0]=2 269 B5R0.2 OC\C=C\CO MC424009 [1,1,0,0,0,0|0,0,0]=2 270 B7R0.2 CC(=O)\C=C(\C)O[Rh] MC445002 [0,2,0,0,0,0|1,0,1]=4 271 B7R0.2 CC(C)CC(N)CO CS14853 [0,2,0,0,0,0|0,0,2]=4 272 B7R0.2 CC(C)CC(N)CO CS19307 [0,2,0,0,0,0|0,0,2]=4 273 B7R0.2 CC(C)OC(=O)CO CS11522 [0,2,0,0,0,0|0,0,1]=3 274 B7R0.2 CCC(=O)CC(C)=O CS21124 [0,2,0,0,0,0|2,0,0]=4 275 B7R0.2 CCC(=O)OC(C)=O CS16382 [0,2,0,0,0,0|2,0,0]=4 276 B7R0.2 CN(C)CC(O)CO CS15349 [0,2,0,0,0,0|1,0,1]=4 277 B7R0.2 COC(=O)CC(C)O CS11584 [0,2,0,0,0,0|1,0,1]=4 278 B7R0.2 COC(=O)\C=C(/C)N CS13690 [0,2,0,0,0,0|1,0,1]=4 279 B7R0.3 COC(=O)\C=C\CBr CS13509 [0,2,0,0,0,0|2,0,0]=4 280 B7R0.3 CO\C=C\C(=O)OC CS11630 [0,2,0,0,0,0|1,0,1]=4 281 B7R0.3 O=C(CCl)\N=C\NO MC107742 [0,2,0,0,0,0|2,0,0]=4 282 B7R0.5 CC(C)C(=O)CC#N MC41933 [0,2,0,0,0,0|1,0,1]=4 283 B7R0.5 CCOC(=O)C(C)C CS11388 [0,2,0,0,0,0|1,0,1]=4 284 B7R0.5 CNCC(=O)N(C)C MC438152 [0,2,0,0,0,0|2,0,0]=4 285 B7R0.10 C=C(CBr)C(=O)OC CS11592 [0,2,0,0,0,0|2,0,0]=4 286 B7R0.10 C=C(CO)C(=O)OC CS12335 [0,2,0,0,0,0|1,0,0]=3 287 B7R0.10 CCC(C)C(N)CO CS18903 [0,2,0,0,0,0|0,0,2]=4 288 B7R0.10 CCC(C)C(N)CO MC437812 [0,2,0,0,0,0|0,0,2]=4 289 B7R0.10 COC(=O)C(=O)CBr CS15824 [0,2,0,0,0,0|2,0,0]=4 290 B7R0.10 COC(=O)C(F)CO CS17081 [0,2,0,0,0,0|1,0,1]=4 291 B7R0.10 COC(=O)C(N)CO CS16778 [0,2,0,0,0,0|1,0,1]=4 292 B7R0.10 COC(=O)C(N)CO CS16785 [0,2,0,0,0,0|1,0,1]=4 293 B7R0.10 COC(=O)C(N)CO CS22621 [0,2,0,0,0,0|1,0,1]=4 294 B7R0.10 COC(=O)C(O)CO MC429048 [0,2,0,0,0,0|1,0,1]=4 295 B7R0.10 CON(C)C(=O)CCl MC33020 [0,2,0,0,0,0|2,0,0]=4 296 B7R0.9 CC(O)CC(C)(C)O MC428277 [0,2,0,0,0,0|0,0,2]=4 297 B7R0.9 CN(C)CC(C)(C)O MC41894 [0,2,0,0,0,0|1,0,1]=4 298 B7R0.16 CC(C)C(=O)N(C)C MC41952 [0,2,0,0,0,0|2,0,0]=4 299 B7R0.16 CN(C)C(=O)C(=O)O CS11735 [0,2,0,0,0,0|1,0,1]=4 300 B7R0.14 CC(C)(C)C(N)CO MC439423 [0,2,0,0,0,0|0,0,2]=4 301 B7R0.14 CC(C)(C)C(N)CO MC439424 [0,2,0,0,0,0|0,0,2]=4 302 B7R0.4 CCC\C=C\C(C)=O MC20875 [0,2,0,0,0,0|2,0,0]=4 303 B7R0.4 CN(C)CCCCO CS22813 [0,2,0,0,0,0|1,0,1]=4 304 B7R0.6 C=C(C)CCC(=O)O CS16527 [0,2,0,0,0,0|0,0,2]=4 305 B7R0.6 CC(=O)CCC(=O)O CS18688 [0,2,0,0,0,0|1,0,1]=4 306 B7R0.6 CC(=O)NCC(=O)O CS19131 [0,2,0,0,0,0|2,0,0]=4 307 B7R0.6 CN(C)CCC(=O)O CS12169 [0,2,0,0,0,0|1,0,1]=4 308 B5R1.2 BrC1COC1 MC425330 [1,0,0,1,0,0|1,0,1]=4 309 B5R1.2 CC1CNC1 CS13089 [1,0,0,1,0,0|1,0,1]=4 310 B5R1.2 FC1COC1 MC113065 [1,0,0,1,0,0|1,0,1]=4 311 B5R1.2 IC1COC1 MC10503 [1,0,0,1,0,0|1,0,1]=4 312 B5R1.2 NC1COC1 CS22388 [1,0,0,1,0,0|1,0,1]=4 313 B5R1.2 NC1COC1 MC425332 [1,0,0,1,0,0|1,0,1]=4 314 B5R1.2 O=C1CCC1 MC10479 [1,0,0,1,0,0|1,0,1]=4 315 B5R1.2 O=C1CCN1 MC31231 [1,0,0,1,0,0|2,0,0]=4 316 B5R1.2 O=C1CNC1 MC444241 [1,0,0,1,0,0|2,0,0]=4 317 B5R1.2 O=C1COC1 CS22391 [1,0,0,1,0,0|1,0,0]=3 318 B5R1.2 O=C1CSC1 CS13345 [1,0,0,1,0,0|1,1,0]=4 319 B5R1.2 OC1COC1 CS19329 [1,0,0,1,0,0|1,0,1]=4 320 B5R1.2 SC1COC1 MC101966 [1,0,0,1,0,0|1,0,1]=4 321 B5R1.3 BrCC1CC1 MC10481 [1,0,0,1,0,0|1,0,1]=4 322 B5R1.3 CNC1CC1 CS13160 [1,0,0,1,0,0|1,0,1]=4 323 B5R1.3 ClCC1CC1 CS19956 [1,0,0,1,0,0|1,0,1]=4 324 B5R1.3 NCC1CC1 CS18907 [1,0,0,1,0,0|1,0,1]=4 325 B5R1.3 O=CC1CC1 MC428327 [1,0,0,1,0,0|0,0,2]=4 326 B5R1.3 OCC1CC1 CS19620 [1,0,0,1,0,0|0,0,1]=3 327 B5R1.5 CC1(C)CO1 MC41673 [1,0,0,1,0,0|0,0,1]=3 328 B5R1.1 C1=CCNC1 MC10278 [1,0,0,1,0,0|1,0,0]=3 329 B5R1.1 C1=CON=C1 MC20462 [1,0,0,1,0,0|1,0,1]=4 330 B7R1.1 BrCC1=COC=C1 MC111404 [0,1,0,1,0,0|0,0,2]=4 331 B7R1.1 CNC1CCOC1 MC104966 [0,1,0,1,0,0|0,0,2]=4 332 B7R1.1 CNC1CCOC1 MC105597 [0,1,0,1,0,0|0,0,2]=4 333 B7R1.1 COC1=NCCC1 CS10423 [0,1,0,1,0,0|2,0,0]=4 334 B7R1.1 NCC1=CON=C1 MC104809 [0,1,0,1,0,0|1,0,1]=4 335 B7R1.1 NCC1=CON=C1 MC114871 [0,1,0,1,0,0|1,0,1]=4 336 B7R1.1 NCC1CCOC1 MC102307 [0,1,0,1,0,0|0,0,2]=4 337 B7R1.1 NCC1CCOC1 MC103862 [0,1,0,1,0,0|0,0,2]=4 338 B7R1.1 NCC1CCOC1 MC115675 [0,1,0,1,0,0|0,0,2]=4 339 B7R1.1 NCC1CCOC1 MC121256 [0,1,0,1,0,0|0,0,2]=4 340 B7R1.1 O=CC1=CCCC1 CS12865 [0,1,0,1,0,0|1,0,1]=4 341 B7R1.1 OCC1=COC=C1 CS22303 [0,1,0,1,0,0|0,0,2]=4 342 B7R1.1 OCC1=CON=C1 MC104808 [0,1,0,1,0,0|1,0,1]=4 343 B7R1.1 OCC1CCOC1 MC113000 [0,1,0,1,0,0|0,0,2]=4 344 B7R1.1 OCC1CCOC1 MC113001 [0,1,0,1,0,0|0,0,2]=4 345 B7R1.1 OCC1CCOC1 MC427704 [0,1,0,1,0,0|0,0,2]=4 346 B7R1.2 CC1=CC(=O)CC1 CS22356 [0,1,0,1,0,0|0,0,2]=4 347 B7R1.2 CC1=CC(=O)CO1 MC429080 [0,1,0,1,0,0|0,0,2]=4 348 B7R1.2 CC1=CC(C)=NO1 CS14107 [0,1,0,1,0,0|1,0,1]=4 349 B7R1.2 CC1=NC(C)CO1 MC428186 [0,1,0,1,0,0|2,0,0]=4 350 B7R1.2 CC1=NOC(N)=C1 CS16239 [0,1,0,1,0,0|1,0,1]=4 351 B7R1.2 CN1CCC(O)C1 MC20690 [0,1,0,1,0,0|1,0,1]=4 352 B7R1.2 CN1CCC(O)C1 MC444062 [0,1,0,1,0,0|1,0,1]=4 353 B7R1.2 CN1CCC(O)C1 MC444273 [0,1,0,1,0,0|1,0,1]=4 354 B7R1.2 O=C1CC(O)CN1 CS14706 [0,1,0,1,0,0|1,0,1]=4 355 B7R1.2 O=C1CC(O)CN1 CS16472 [0,1,0,1,0,0|1,0,1]=4 356 B7R1.3 CC1COCCN1 CS14856 [0,1,0,1,0,0|0,0,2]=4 357 B7R1.3 CC1COCCN1 CS20285 [0,1,0,1,0,0|0,0,2]=4 358 B7R1.3 CC1COCCN1 CS22371 [0,1,0,1,0,0|0,0,2]=4 359 B7R1.3 CC1COCCN1 CS22413 [0,1,0,1,0,0|0,0,2]=4 360 B7R1.3 CC1COCCN1 MC20820 [0,1,0,1,0,0|0,0,2]=4 361 B7R1.3 O=C1C=CCCC1 MC41883 [0,1,0,1,0,0|2,0,0]=4 362 B7R1.3 O=C1C=CCOC1 CS17023 [0,1,0,1,0,0|1,0,0]=3 363 B7R1.3 O=C1CCCOC1 MC31097 [0,1,0,1,0,0|1,0,1]=4 364 B7R1.3 O=C1CCOCC1 CS13380 [0,1,0,1,0,0|1,0,1]=4 365 B7R1.3 O=C1COCCN1 CS11697 [0,1,0,1,0,0|1,0,1]=4 366 B7R1.3 O=C1COCCO1 MC20725 [0,1,0,1,0,0|1,0,1]=4 367 B7R1.4 CC1=CC=NN1C CS19266 [0,1,0,1,0,0|1,0,1]=4 368 B7R1.4 CC1=CNN=C1C CS13346 [0,1,0,1,0,0|2,0,0]=4 369 B7R1.4 CC1=NOC=C1N CS17073 [0,1,0,1,0,0|1,0,1]=4 370 B7R1.4 CC1COCC1N MC444024 [0,1,0,1,0,0|0,0,2]=4 371 B7R1.4 CC1OCCC1=O CS14135 [0,1,0,1,0,0|1,0,1]=4 372 B7R1.4 CN1CCCC1=O MC41699 [0,1,0,1,0,0|2,0,0]=4 373 B7R1.6 COC=C1COC1 MC113188 [0,1,0,1,0,0|2,0,0]=4 374 B7R1.6 N#CC=C1COC1 MC102286 [0,1,0,1,0,0|1,0,1]=4 375 B7R1.6 N#CC=C1COC1 MC102287 [0,1,0,1,0,0|1,0,1]=4 376 B7R1.6 OCCN1CCC1 MC106862 [0,1,0,1,0,0|1,0,1]=4 377 B7R1.8 O=C1CCC1CO MC104211 [0,1,0,1,0,0|1,0,1]=4 378 B7R1.8 O=C1CCC1CO MC104212 [0,1,0,1,0,0|1,0,1]=4 379 B7R1.8 O=C1CCC1CO MC104213 [0,1,0,1,0,0|1,0,1]=4 380 B7R1.10 CCN1CC(O)C1 MC444112 [0,1,0,1,0,0|1,0,1]=4 381 B7R1.10 CNC1CC(O)C1 MC104910 [0,1,0,1,0,0|0,0,2]=4 382 B7R1.10 CNC1CC(O)C1 MC444221 [0,1,0,1,0,0|0,0,2]=4 383 B7R1.10 NCC1CC(O)C1 MC101920 [0,1,0,1,0,0|0,0,2]=4 384 B7R1.10 NCC1CC(O)C1 MC101929 [0,1,0,1,0,0|0,0,2]=4 385 B7R1.10 NCC1CC(O)C1 MC103940 [0,1,0,1,0,0|0,0,2]=4 386 B7R1.10 NCC1CC(O)C1 MC113027 [0,1,0,1,0,0|0,0,2]=4 387 B7R1.10 NCC1CC(O)C1 MC115656 [0,1,0,1,0,0|0,0,2]=4 388 B7R1.10 O=C1CC(CO)C1 MC113039 [0,1,0,1,0,0|1,0,1]=4 389 B7R1.22 N=C(NO)C1CC1 CS11781 [0,1,0,1,0,0|1,0,1]=4 390 B7R1.22 O=C(CBr)C1CC1 MC433212 [0,1,0,1,0,0|1,0,1]=4 391 B7R1.25 CC1(CO)CCO1 MC102954 [0,1,0,1,0,0|0,0,2]=4 392 B7R1.16 CC1(N)CC(O)C1 MC103486 [0,1,0,1,0,0|0,0,2]=4 393 B7R1.16 CC1(N)CC(O)C1 MC103487 [0,1,0,1,0,0|0,0,2]=4