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|2,0,2]=4 2 B5R0.1 CC(=O)\C=N\O CS18968 [0,0,0,0,0,0|2,0,2]=4 3 B5R0.1 CC(C)=CCBr MC41900 [0,0,0,0,0,0|1,0,2]=3 4 B5R0.1 CC(C)CC=O CS11530 [0,0,0,0,0,0|0,0,2]=2 5 B5R0.1 CC(C)SC#N MC41971 [0,0,0,0,0,0|2,0,1]=3 6 B5R0.1 CC(N)CCO CS14355 [0,0,0,0,0,0|1,0,0]=1 7 B5R0.1 CC(N)CCO CS14356 [0,0,0,0,0,0|1,0,0]=1 8 B5R0.1 CC(N)CCO CS22096 [0,0,0,0,0,0|1,0,0]=1 9 B5R0.1 CC(O)CON CS17735 [0,0,0,0,0,0|3,0,0]=3 10 B5R0.1 CCCB(O)O CS14802 [0,0,0,0,0,0|4,0,0]=4 11 B5R0.1 CCCC(C)=O CS21731 [0,0,0,0,0,0|2,0,1]=3 12 B5R0.1 CCC[N+](=O)[O-] MC428297 [0,0,0,0,0,0|4,0,0]=4 13 B5R0.1 CN(C)CC=O CS17734 [0,0,0,0,0,0|1,0,2]=3 14 B5R0.1 CN(C)CCBr CS10949 [0,0,0,0,0,0|2,0,0]=2 15 B5R0.1 CN(C)CCCl CS14471 [0,0,0,0,0,0|2,0,0]=2 16 B5R0.1 CN(C)CCCl CS17225 [0,0,0,0,0,0|2,0,0]=2 17 B5R0.1 CN(C)CCN CS18603 [0,0,0,0,0,0|2,0,0]=2 18 B5R0.1 CN(C)CCO CS11733 [0,0,0,0,0,0|1,0,0]=1 19 B5R0.1 COCC(C)N CS15401 [0,0,0,0,0,0|3,0,0]=3 20 B5R0.1 COCC(C)O CS20249 [0,0,0,0,0,0|3,0,0]=3 21 B5R0.1 COCC(C)O CS20309 [0,0,0,0,0,0|3,0,0]=3 22 B5R0.1 COCC(C)O CS20741 [0,0,0,0,0,0|3,0,0]=3 23 B5R0.1 NCCC(=O)O CS13499 [0,0,0,0,0,0|3,0,1]=4 24 B5R0.1 NCCC(N)=O MC436150 [0,0,0,0,0,0|3,0,1]=4 25 B5R0.1 O=C(O)CCO MC20638 [0,0,0,0,0,0|2,0,1]=3 26 B4R0.1 C#CC(C)O MC427719 [1,0,0,0,0,0|1,0,2]=4 27 B4R0.1 CC(=O)CBr MC20986 [1,0,0,0,0,0|2,0,1]=4 28 B4R0.1 CC(=O)CN CS10921 [1,0,0,0,0,0|2,0,1]=4 29 B4R0.1 CC(=O)CO CS11467 [1,0,0,0,0,0|1,0,1]=3 30 B4R0.1 CC(=O)NO CS14961 [1,0,0,0,0,0|2,0,1]=4 31 B4R0.1 CC(C)=NO CS10884 [1,0,0,0,0,0|1,0,1]=3 32 B4R0.1 CC(C)C#N MC41920 [1,0,0,0,0,0|1,0,1]=3 33 B4R0.1 CC(C)NN CS11525 [1,0,0,0,0,0|2,0,0]=3 34 B4R0.1 CC(C)ON CS13668 [1,0,0,0,0,0|2,0,0]=3 35 B4R0.1 CC(C)[Zn]Br MC121350 [1,0,0,0,0,0|2,0,0]=3 36 B4R0.1 CC(Cl)CO CS20251 [1,0,0,0,0,0|1,0,0]=2 37 B4R0.1 CC(Cl)CO MC428270 [1,0,0,0,0,0|1,0,0]=2 38 B4R0.1 CC(N)CN CS20323 [1,0,0,0,0,0|2,0,0]=3 39 B4R0.1 CC(N)CN MC10147 [1,0,0,0,0,0|2,0,0]=3 40 B4R0.1 CC(N)CO CS14182 [1,0,0,0,0,0|1,0,0]=2 41 B4R0.1 CC(N)CO CS19476 [1,0,0,0,0,0|1,0,0]=2 42 B4R0.1 CC(N)CO CS21310 [1,0,0,0,0,0|1,0,0]=2 43 B4R0.1 CC(O)CCl MC20696 [1,0,0,0,0,0|2,0,0]=3 44 B4R0.1 CC(O)CCl MC20697 [1,0,0,0,0,0|2,0,0]=3 45 B4R0.1 CC(O)CN CS14075 [1,0,0,0,0,0|2,0,0]=3 46 B4R0.1 CC(O)CO MC20330 [1,0,0,0,0,0|1,0,0]=2 47 B4R0.1 CCB(O)O CS13979 [1,0,0,0,0,0|3,0,0]=4 48 B4R0.1 CCC(C)O MC10786 [1,0,0,0,0,0|1,0,0]=2 49 B4R0.1 CCC(N)=O CS11886 [1,0,0,0,0,0|2,0,1]=4 50 B4R0.1 C\C(N)=N\O CS10879 [1,0,0,0,0,0|2,0,1]=4 51 B4R0.1 C\C=C(/C)Br MC10255 [1,0,0,0,0,0|1,0,2]=4 52 B4R0.1 FC(F)CBr MC429454 [1,0,0,0,0,0|3,0,0]=4 53 B4R0.1 FC(F)CI MC429447 [1,0,0,0,0,0|3,0,0]=4 54 B4R0.1 NCC(F)F MC429451 [1,0,0,0,0,0|3,0,0]=4 55 B4R0.1 O=C(O)CO CS19334 [1,0,0,0,0,0|2,0,1]=4 56 B4R0.1 O=S([O-])CO CS11936 [1,0,0,0,0,0|3,0,0]=4 57 B4R0.1 OCC(F)F CS20974 [1,0,0,0,0,0|2,0,0]=3 58 B4R0.2 C#CCCN MC424006 [1,0,0,0,0,0|1,0,2]=4 59 B4R0.2 C#CCNC MC41929 [1,0,0,0,0,0|2,0,1]=4 60 B4R0.2 C=COCC MC41915 [1,0,0,0,0,0|2,0,1]=4 61 B4R0.2 CCCC=O MC41868 [1,0,0,0,0,0|0,0,2]=3 62 B4R0.2 CCCCO MC41869 [1,0,0,0,0,0|0,0,0]=1 63 B4R0.2 CCC[Zn]Br MC121348 [1,0,0,0,0,0|2,0,0]=3 64 B4R0.2 CCNCC CS11240 [1,0,0,0,0,0|2,0,0]=3 65 B4R0.2 CCOC=N MC33024 [1,0,0,0,0,0|2,0,1]=4 66 B4R0.2 CCOC=O MC41912 [1,0,0,0,0,0|1,0,2]=4 67 B4R0.2 CCOCC MC41960 [1,0,0,0,0,0|2,0,0]=3 68 B4R0.2 CC[Zn]CC MC10752 [1,0,0,0,0,0|2,0,0]=3 69 B4R0.2 CNCC#N CS19888 [1,0,0,0,0,0|2,0,1]=4 70 B4R0.2 CNCCO CS20910 [1,0,0,0,0,0|1,0,0]=2 71 B4R0.2 COCC#N MC40783 [1,0,0,0,0,0|2,0,1]=4 72 B4R0.2 COCCCl MC428007 [1,0,0,0,0,0|2,0,0]=3 73 B4R0.2 ClCCCBr MC41861 [1,0,0,0,0,0|2,0,0]=3 74 B4R0.2 N#CCCBr CS22188 [1,0,0,0,0,0|2,0,1]=4 75 B4R0.2 NCCCBr CS22190 [1,0,0,0,0,0|2,0,0]=3 76 B4R0.2 NCCCS MC428180 [1,0,0,0,0,0|1,1,0]=3 77 B4R0.2 [NH3+]CCCS MC428140 [1,0,0,0,0,0|1,1,0]=3 78 B6R0.1 CCC(C)CCBr MC112369 [0,1,0,0,0,0|1,0,0]=2 79 B6R0.1 CCCC(C)CBr MC112368 [0,1,0,0,0,0|1,0,0]=2 80 B6R0.1 CCCC(O)CO CS20495 [0,1,0,0,0,0|2,0,0]=3 81 B6R0.1 CNC(=O)CCN MC112263 [0,1,0,0,0,0|2,0,1]=4 82 B6R0.1 COC(=O)CCBr CS18993 [0,1,0,0,0,0|2,0,1]=4 83 B6R0.1 COC(=O)CCN CS22266 [0,1,0,0,0,0|2,0,1]=4 84 B6R0.1 N#CCC(O)CCl CS22599 [0,1,0,0,0,0|2,0,1]=4 85 B6R0.1 O=C(CCl)NCO CS14580 [0,1,0,0,0,0|2,0,1]=4 86 B6R0.1 OC(CBr)CCBr MC107100 [0,1,0,0,0,0|2,0,0]=3 87 B6R0.1 OC(CBr)CCBr MC107101 [0,1,0,0,0,0|2,0,0]=3 88 B6R0.1 OCCC(O)CO MC42234 [0,1,0,0,0,0|1,0,0]=2 89 B6R0.1 [NH3+]CCC(F)C[NH3+] MC112759 [0,1,0,0,0,0|2,0,0]=3 90 B6R0.2 CC(Br)CC(=O)O MC106689 [0,1,0,0,0,0|1,0,1]=3 91 B6R0.2 CC(Br)CC(N)=S MC106193 [0,1,0,0,0,0|1,1,1]=4 92 B6R0.2 CC(C)=CC(=O)O CS14947 [0,1,0,0,0,0|0,0,3]=4 93 B6R0.2 CC(C)CB(O)O CS22276 [0,1,0,0,0,0|1,0,0]=2 94 B6R0.2 CC(C)PC(C)C MC444830 [0,1,0,0,0,0|2,0,0]=3 95 B6R0.2 CC(N)CC(=O)O CS19028 [0,1,0,0,0,0|1,0,1]=3 96 B6R0.2 CC(N)CC(=O)O CS20346 [0,1,0,0,0,0|1,0,1]=3 97 B6R0.2 CC(N)CC(=O)O MC439098 [0,1,0,0,0,0|1,0,1]=3 98 B6R0.2 CC(O)CC(=O)O MC426020 [0,1,0,0,0,0|1,0,1]=3 99 B6R0.2 CC(O)CC(=O)O MC426021 [0,1,0,0,0,0|1,0,1]=3 100 B6R0.2 CC(O)CC(=O)[O-] CS20253 [0,1,0,0,0,0|1,0,2]=4 101 B6R0.2 CN(C)CC(=O)O CS13413 [0,1,0,0,0,0|1,0,1]=3 102 B6R0.2 CN(C)CC(N)=S CS15155 [0,1,0,0,0,0|1,1,1]=4 103 B6R0.2 NC([SeH])CC(=O)O MC435590 [0,1,0,0,0,0|2,0,1]=4 104 B6R0.2 NC([SeH])CC(=O)O MC435591 [0,1,0,0,0,0|2,0,1]=4 105 B6R0.3 CC(C)C(C)CO MC113312 [0,1,0,0,0,0|0,0,0]=1 106 B6R0.3 CC(C)C(N)CO CS17224 [0,1,0,0,0,0|0,0,0]=1 107 B6R0.3 CC(C)C(N)CO CS22659 [0,1,0,0,0,0|0,0,0]=1 108 B6R0.3 CC(O)C(N)CO MC438221 [0,1,0,0,0,0|1,0,0]=2 109 B6R0.3 CN(C)C(=O)CBr CS14025 [0,1,0,0,0,0|2,0,1]=4 110 B6R0.3 CN(C)C(=O)CN CS21306 [0,1,0,0,0,0|2,0,1]=4 111 B6R0.3 CN(C)C(=O)CN MC116188 [0,1,0,0,0,0|2,0,1]=4 112 B6R0.3 CN(C)C(=O)CN MC437713 [0,1,0,0,0,0|2,0,1]=4 113 B6R0.3 COC(=O)C(C)C MC41931 [0,1,0,0,0,0|2,0,1]=4 114 B6R0.3 NC(=O)C(N)CO MC438160 [0,1,0,0,0,0|2,0,1]=4 115 B6R0.3 NC(CO)C(=O)O CS14731 [0,1,0,0,0,0|2,0,1]=4 116 B6R0.3 NC(CO)C(=O)O CS18949 [0,1,0,0,0,0|2,0,1]=4 117 B6R0.3 NC(CO)C(=O)O CS19144 [0,1,0,0,0,0|2,0,1]=4 118 B6R0.4 CC(=O)CCCBr CS10305 [0,1,0,0,0,0|2,0,1]=4 119 B6R0.4 CC(=O)CCCCl CS10334 [0,1,0,0,0,0|2,0,1]=4 120 B6R0.4 CC(=O)NCCCl MC33011 [0,1,0,0,0,0|2,0,1]=4 121 B6R0.4 CC(C)=CC[Mg]Cl MC116049 [0,1,0,0,0,0|1,0,2]=4 122 B6R0.4 CC(C)=CC[Zn]Cl MC116080 [0,1,0,0,0,0|1,0,2]=4 123 B6R0.4 CC(C)CCC=O MC428026 [0,1,0,0,0,0|0,0,1]=2 124 B6R0.4 CC(C)CCCO MC428025 [0,1,0,0,0,0|0,0,0]=1 125 B6R0.4 CC(C)NCCN MC20461 [0,1,0,0,0,0|1,0,0]=2 126 B6R0.4 CN(C)CCCBr CS22184 [0,1,0,0,0,0|2,0,0]=3 127 B6R0.4 CN(C)CCCCl CS13505 [0,1,0,0,0,0|2,0,0]=3 128 B6R0.4 CN(C)CCCCl CS14943 [0,1,0,0,0,0|2,0,0]=3 129 B6R0.4 CNCCN(C)C CS11723 [0,1,0,0,0,0|2,0,0]=3 130 B6R0.4 CNCCN(C)C CS15131 [0,1,0,0,0,0|2,0,0]=3 131 B6R0.5 CC(C)(C)CC=O MC20142 [0,1,0,0,0,0|0,0,2]=3 132 B6R0.5 CC(C)(C)CCO CS21905 [0,1,0,0,0,0|0,0,0]=1 133 B6R0.5 CC(C)(F)CCN MC116087 [0,1,0,0,0,0|1,0,0]=2 134 B6R0.5 CC(C)(O)CCBr CS15788 [0,1,0,0,0,0|1,0,0]=2 135 B6R0.5 CC(C)(O)CON MC427561 [0,1,0,0,0,0|2,0,0]=3 136 B6R0.5 CS(=O)(=O)CCN CS21301 [0,1,0,0,0,0|3,0,0]=4 137 B6R0.5 FC(F)(F)CCI MC20958 [0,1,0,0,0,0|3,0,0]=4 138 B6R0.5 NCCC(F)(F)F CS14596 [0,1,0,0,0,0|3,0,0]=4 139 B6R1.2 BrC1CCNC1 CS15742 [0,0,0,1,0,0|2,0,0]=3 140 B6R1.2 BrC1CCOC1 CS14643 [0,0,0,1,0,0|1,0,0]=2 141 B6R1.2 CC1=NCCC1 CS21664 [0,0,0,1,0,0|2,0,1]=4 142 B6R1.2 CC1CCCN1 CS18299 [0,0,0,1,0,0|2,0,0]=3 143 B6R1.2 CC1CCCN1 CS18800 [0,0,0,1,0,0|2,0,0]=3 144 B6R1.2 CC1CCCN1 CS19735 [0,0,0,1,0,0|2,0,0]=3 145 B6R1.2 CC1CCCN1 CS21699 [0,0,0,1,0,0|2,0,0]=3 146 B6R1.2 CC1CCCN1 CS21700 [0,0,0,1,0,0|2,0,0]=3 147 B6R1.2 CC1CCCN1 MC428345 [0,0,0,1,0,0|2,0,0]=3 148 B6R1.2 CC1CCCO1 MC20580 [0,0,0,1,0,0|2,0,0]=3 149 B6R1.2 FC1CCNC1 CS12894 [0,0,0,1,0,0|2,0,0]=3 150 B6R1.2 FC1CCNC1 CS14870 [0,0,0,1,0,0|2,0,0]=3 151 B6R1.2 FC1CCNC1 MC31003 [0,0,0,1,0,0|2,0,0]=3 152 B6R1.2 IC1CCOC1 MC101926 [0,0,0,1,0,0|1,0,0]=2 153 B6R1.2 NC1CC=CC1 CS19415 [0,0,0,1,0,0|2,0,1]=4 154 B6R1.2 NC1CCOC1 CS12010 [0,0,0,1,0,0|1,0,0]=2 155 B6R1.2 NC1CCOC1 CS13003 [0,0,0,1,0,0|1,0,0]=2 156 B6R1.2 NC1CCOC1 CS20366 [0,0,0,1,0,0|1,0,0]=2 157 B6R1.2 NC1CCOC1 MC443324 [0,0,0,1,0,0|1,0,0]=2 158 B6R1.2 NC1CCOC1 MC444237 [0,0,0,1,0,0|1,0,0]=2 159 B6R1.2 O=C1CCCC1 MC21085 [0,0,0,1,0,0|2,0,1]=4 160 B6R1.2 O=C1CCNC1 CS22412 [0,0,0,1,0,0|2,0,1]=4 161 B6R1.2 O=C1CCOC1 CS18178 [0,0,0,1,0,0|1,0,1]=3 162 B6R1.2 O=C1CCSC1 MC20305 [0,0,0,1,0,0|1,1,1]=4 163 B6R1.2 OC1CC=CC1 MC10342 [0,0,0,1,0,0|2,0,1]=4 164 B6R1.2 OC1CCNC1 CS16166 [0,0,0,1,0,0|2,0,0]=3 165 B6R1.2 OC1CCNC1 CS16635 [0,0,0,1,0,0|2,0,0]=3 166 B6R1.2 OC1CCNC1 CS16650 [0,0,0,1,0,0|2,0,0]=3 167 B6R1.2 OC1CCNC1 CS17407 [0,0,0,1,0,0|2,0,0]=3 168 B6R1.2 OC1CCNC1 CS21757 [0,0,0,1,0,0|2,0,0]=3 169 B6R1.2 OC1CCOC1 CS20284 [0,0,0,1,0,0|1,0,0]=2 170 B6R1.2 OC1CCOC1 MC42235 [0,0,0,1,0,0|1,0,0]=2 171 B6R1.2 OC1CCOC1 MC444279 [0,0,0,1,0,0|1,0,0]=2 172 B6R1.3 N#CCC1CC1 MC433947 [0,0,0,1,0,0|1,0,1]=3 173 B6R1.3 NCCC1CC1 MC425320 [0,0,0,1,0,0|1,0,0]=2 174 B6R1.3 NCCN1CC1 MC100405 [0,0,0,1,0,0|2,0,0]=3 175 B6R1.3 NOCC1CC1 MC107884 [0,0,0,1,0,0|2,0,0]=3 176 B6R1.3 O=C=NC1CC1 MC418391 [0,0,0,1,0,0|1,0,2]=4 177 B6R1.3 OCCC1CC1 MC433884 [0,0,0,1,0,0|0,0,0]=1 178 B6R1.5 CC1CC(N)C1 MC105778 [0,0,0,1,0,0|1,0,0]=2 179 B6R1.5 CN1CC(N)C1 MC444125 [0,0,0,1,0,0|2,0,0]=3 180 B6R1.5 CN1CC(O)C1 MC444271 [0,0,0,1,0,0|1,0,0]=2 181 B6R1.5 CN1CC(O)C1 MC444272 [0,0,0,1,0,0|1,0,0]=2 182 B6R1.5 NC1CC(=O)C1 MC444232 [0,0,0,1,0,0|1,0,2]=4 183 B6R1.5 NC1CC(F)C1 MC101921 [0,0,0,1,0,0|2,0,0]=3 184 B6R1.5 NC1CC(F)C1 MC104866 [0,0,0,1,0,0|2,0,0]=3 185 B6R1.5 NC1CC(F)C1 MC104867 [0,0,0,1,0,0|2,0,0]=3 186 B6R1.5 NC1CC(F)C1 MC112996 [0,0,0,1,0,0|2,0,0]=3 187 B6R1.5 NC1CC(F)C1 MC115644 [0,0,0,1,0,0|2,0,0]=3 188 B6R1.5 NC1CC(F)C1 MC444599 [0,0,0,1,0,0|2,0,0]=3 189 B6R1.5 NC1CC(N)C1 MC103595 [0,0,0,1,0,0|2,0,0]=3 190 B6R1.5 NC1CC(N)C1 MC103596 [0,0,0,1,0,0|2,0,0]=3 191 B6R1.5 NC1CC(N)C1 MC103597 [0,0,0,1,0,0|2,0,0]=3 192 B6R1.5 NC1CC(N)C1 MC103598 [0,0,0,1,0,0|2,0,0]=3 193 B6R1.5 NC1CC(N)C1 MC104654 [0,0,0,1,0,0|2,0,0]=3 194 B6R1.5 NC1CC(O)C1 MC105248 [0,0,0,1,0,0|1,0,0]=2 195 B6R1.5 NC1CC(O)C1 MC105286 [0,0,0,1,0,0|1,0,0]=2 196 B6R1.5 NC1CC(O)C1 MC444231 [0,0,0,1,0,0|1,0,0]=2 197 B6R1.5 NC1CC(O)C1 MC444480 [0,0,0,1,0,0|1,0,0]=2 198 B6R1.5 NC1CC(O)C1 MC444598 [0,0,0,1,0,0|1,0,0]=2 199 B6R1.5 O=C1CC(F)C1 MC104154 [0,0,0,1,0,0|1,0,2]=4 200 B6R1.5 OC1CC(F)C1 MC103711 [0,0,0,1,0,0|1,0,0]=2 201 B6R1.5 OC1CC(F)C1 MC104375 [0,0,0,1,0,0|1,0,0]=2 202 B6R1.5 OC1CC(F)C1 MC104868 [0,0,0,1,0,0|1,0,0]=2 203 B6R1.8 N#CC1CC1F MC102844 [0,0,0,1,0,0|2,0,1]=4 204 B6R1.8 N#CC1CC1F MC102845 [0,0,0,1,0,0|2,0,1]=4 205 B6R1.8 OCC1CC1F MC102847 [0,0,0,1,0,0|1,0,0]=2 206 B6R1.8 OCC1CC1F MC102848 [0,0,0,1,0,0|1,0,0]=2 207 B6R1.8 OCC1CC1F MC102849 [0,0,0,1,0,0|1,0,0]=2 208 B6R1.8 OCC1CC1F MC102850 [0,0,0,1,0,0|1,0,0]=2 209 B6R1.9 NC1CC1(F)F MC431141 [0,0,0,1,0,0|3,0,0]=4 210 B6R1.10 CC1(F)CNC1 MC102153 [0,0,0,1,0,0|3,0,0]=4 211 B6R1.10 CC1(N)COC1 CS14859 [0,0,0,1,0,0|3,0,0]=4 212 B6R1.10 CC1(N)COC1 MC444292 [0,0,0,1,0,0|3,0,0]=4 213 B6R1.10 CC1(N)CSC1 MC113158 [0,0,0,1,0,0|3,0,0]=4 214 B6R1.10 CC1(O)CNC1 CS15502 [0,0,0,1,0,0|3,0,0]=4 215 B6R1.11 CC(I)C1CC1 MC429998 [0,0,0,1,0,0|2,0,0]=3 216 B6R1.11 CC(N)C1CC1 MC428207 [0,0,0,1,0,0|2,0,0]=3 217 B6R1.11 O=C([O-])C1CO1 CS17514 [0,0,0,1,0,0|2,0,1]=4 218 B3R0.1 BrCCBr MC41884 [2,0,0,0,0,0|2,0,0]=4 219 B3R0.1 CCC#N MC41959 [2,0,0,0,0,0|1,0,1]=4 220 B3R0.1 CCON CS11314 [2,0,0,0,0,0|2,0,0]=4 221 B3R0.1 CC[Zn]Br MC116063 [2,0,0,0,0,0|2,0,0]=4 222 B3R0.1 CNOC CS13986 [2,0,0,0,0,0|2,0,0]=4 223 B3R0.1 COCCl MC41874 [2,0,0,0,0,0|2,0,0]=4 224 B3R0.1 C\C=C\C MC428373 [2,0,0,0,0,0|0,0,2]=4 225 B3R0.1 FCCBr MC429448 [2,0,0,0,0,0|2,0,0]=4 226 B3R0.1 NCCBr CS14044 [2,0,0,0,0,0|2,0,0]=4 227 B3R0.1 NCCCl CS16188 [2,0,0,0,0,0|2,0,0]=4 228 B3R0.1 NCCF CS21564 [2,0,0,0,0,0|2,0,0]=4 229 B3R0.1 SCCS MC20652 [2,0,0,0,0,0|1,1,0]=4 230 B3R0.2 CC(=O)O CS19761 [2,0,0,0,0,0|1,0,1]=4 231 B3R0.2 CC(C)Br MC41864 [2,0,0,0,0,0|1,0,0]=3 232 B3R0.2 CC(O)=S MC434055 [2,0,0,0,0,0|1,0,1]=4 233 B3R0.2 C[PH](C)=O MC21075 [2,0,0,0,0,0|1,0,1]=4 234 B5R0.3 C=C(CO)CO CS21689 [1,1,0,0,0,0|0,0,2]=4 235 B5R0.3 CCC(C)[Zn]Br MC121335 [1,1,0,0,0,0|1,0,0]=3 236 B5R0.3 CCC(N)CO CS15119 [1,1,0,0,0,0|1,0,0]=3 237 B5R0.3 CCC(N)CO MC10528 [1,1,0,0,0,0|1,0,0]=3 238 B5R0.3 CCC(N)CO MC20718 [1,1,0,0,0,0|1,0,0]=3 239 B5R0.3 CCC(N)CO MC436159 [1,1,0,0,0,0|1,0,0]=3 240 B5R0.3 CCC(O)CO CS15622 [1,1,0,0,0,0|1,0,0]=3 241 B5R0.3 COC(=O)CO CS19433 [1,1,0,0,0,0|1,0,1]=4 242 B5R0.3 COC(C)CN CS17733 [1,1,0,0,0,0|1,0,0]=3 243 B5R0.3 COC(C)CO CS12306 [1,1,0,0,0,0|0,0,0]=2 244 B5R0.3 NC(CO)CO CS18352 [1,1,0,0,0,0|1,0,0]=3 245 B5R0.3 NCC(O)CCl MC427329 [1,1,0,0,0,0|2,0,0]=4 246 B5R0.3 NCC(O)CN CS14232 [1,1,0,0,0,0|2,0,0]=4 247 B5R0.3 NCC(O)CO CS14832 [1,1,0,0,0,0|1,0,0]=3 248 B5R0.3 NCC(O)CO CS18397 [1,1,0,0,0,0|1,0,0]=3 249 B5R0.3 NCC(O)CO MC20311 [1,1,0,0,0,0|1,0,0]=3 250 B5R0.3 O=C(CO)CO CS11245 [1,1,0,0,0,0|1,0,1]=4 251 B5R0.3 O=CC(O)CO MC107096 [1,1,0,0,0,0|1,0,1]=4 252 B5R0.3 O=CC(O)CO MC20361 [1,1,0,0,0,0|1,0,1]=4 253 B5R0.3 O=CC(O)CO MC20362 [1,1,0,0,0,0|1,0,1]=4 254 B5R0.3 OC(CCl)CCl MC428012 [1,1,0,0,0,0|2,0,0]=4 255 B5R0.3 OC(CF)CF MC429449 [1,1,0,0,0,0|2,0,0]=4 256 B5R0.3 OCC(O)CCl CS15061 [1,1,0,0,0,0|1,0,0]=3 257 B5R0.3 OCC(O)CCl MC20314 [1,1,0,0,0,0|1,0,0]=3 258 B5R0.4 CC(C)(C)C#N MC10368 [1,1,0,0,0,0|1,0,1]=4 259 B5R0.4 CC(C)(C)C=O MC20070 [1,1,0,0,0,0|0,0,2]=4 260 B5R0.4 CC(C)(C)CN CS11775 [1,1,0,0,0,0|1,0,0]=3 261 B5R0.4 CC(C)(C)ON CS11824 [1,1,0,0,0,0|2,0,0]=4 262 B5R0.4 CC(C)(C)[Zn]Br MC121336 [1,1,0,0,0,0|2,0,0]=4 263 B5R0.4 CC(C)(F)CO MC429446 [1,1,0,0,0,0|0,0,0]=2 264 B5R0.4 CC(C)(N)C#N CS15395 [1,1,0,0,0,0|1,0,1]=4 265 B5R0.4 CC(C)(N)CN MC443126 [1,1,0,0,0,0|1,0,0]=3 266 B5R0.4 CC(C)(O)CN CS20593 [1,1,0,0,0,0|1,0,0]=3 267 B5R0.4 CC(C)(S)CN MC434042 [1,1,0,0,0,0|1,0,0]=3 268 B5R0.4 CC(F)(F)CN MC428165 [1,1,0,0,0,0|2,0,0]=4 269 B5R0.4 CC(F)(F)CN MC428166 [1,1,0,0,0,0|2,0,0]=4 270 B5R0.4 CC(F)(F)CO MC429356 [1,1,0,0,0,0|1,0,0]=3 271 B5R0.4 OCC(F)(F)F MC429465 [1,1,0,0,0,0|2,0,0]=4 272 B5R0.5 CC(Br)C(=O)O MC20444 [1,1,0,0,0,0|1,0,1]=4 273 B5R0.5 CC(C)C(=O)Cl MC40490 [1,1,0,0,0,0|0,0,2]=4 274 B5R0.5 CC(C)C(N)=O CS21696 [1,1,0,0,0,0|0,0,2]=4 275 B5R0.5 CC(Cl)C(=O)O MC20315 [1,1,0,0,0,0|1,0,1]=4 276 B5R0.5 CC(Cl)C(=O)O MC436860 [1,1,0,0,0,0|1,0,1]=4 277 B5R0.5 CC(F)C(=O)O MC429445 [1,1,0,0,0,0|1,0,1]=4 278 B5R0.5 CC(N)B(O)O MC442650 [1,1,0,0,0,0|2,0,0]=4 279 B5R0.5 CC(N)B(O)O MC442679 [1,1,0,0,0,0|2,0,0]=4 280 B5R0.5 CC(N)B(O)O MC442687 [1,1,0,0,0,0|2,0,0]=4 281 B5R0.5 CC(N)C(=O)O CS18992 [1,1,0,0,0,0|1,0,1]=4 282 B5R0.5 CC(N)C(=O)O CS19143 [1,1,0,0,0,0|1,0,1]=4 283 B5R0.5 CC(N)C(=O)O MC428047 [1,1,0,0,0,0|1,0,1]=4 284 B5R0.5 CC(O)C(=O)O MC437817 [1,1,0,0,0,0|1,0,1]=4 285 B5R0.2 BrCCCCBr MC41885 [1,1,0,0,0,0|1,0,0]=3 286 B5R0.2 C=CCCON MC110761 [1,1,0,0,0,0|0,0,2]=4 287 B5R0.2 CCCCCBr CS20657 [1,1,0,0,0,0|1,0,0]=3 288 B5R0.2 CCCC[Zn]Br MC121334 [1,1,0,0,0,0|1,0,0]=3 289 B5R0.2 CCOCCBr CS21396 [1,1,0,0,0,0|1,0,0]=3 290 B5R0.2 CCOCCCl MC428008 [1,1,0,0,0,0|1,0,0]=3 291 B5R0.2 CNCCC#N CS22369 [1,1,0,0,0,0|1,0,1]=4 292 B5R0.2 CNCCCO CS14200 [1,1,0,0,0,0|0,0,0]=2 293 B5R0.2 CNCCNC CS15116 [1,1,0,0,0,0|2,0,0]=4 294 B5R0.2 CNCCOC MC427349 [1,1,0,0,0,0|1,0,0]=3 295 B5R0.2 COCCC#N CS22345 [1,1,0,0,0,0|1,0,1]=4 296 B5R0.2 COCCCBr CS20649 [1,1,0,0,0,0|1,0,0]=3 297 B5R0.2 COCCCO CS20039 [1,1,0,0,0,0|0,0,0]=2 298 B5R0.2 COCCNN MC103229 [1,1,0,0,0,0|2,0,0]=4 299 B5R0.2 COCCNN MC107041 [1,1,0,0,0,0|2,0,0]=4 300 B5R0.2 COCCOC MC41899 [1,1,0,0,0,0|1,0,0]=3 301 B5R0.2 COCCOC MC445008 [1,1,0,0,0,0|1,0,0]=3 302 B5R0.2 N#CCCCBr MC433750 [1,1,0,0,0,0|1,0,1]=4 303 B5R0.2 NCCCCBr CS14979 [1,1,0,0,0,0|1,0,0]=3 304 B5R0.2 NCCCCN CS19906 [1,1,0,0,0,0|1,0,0]=3 305 B5R0.2 OC\C=C\CCl MC10262 [1,1,0,0,0,0|0,0,2]=4 306 B5R0.2 OC\C=C\CO MC41968 [1,1,0,0,0,0|0,0,2]=4 307 B5R0.2 OC\C=C\CO MC424009 [1,1,0,0,0,0|0,0,2]=4 308 B7R0.2 CC(C)CC(N)CO CS14853 [0,2,0,0,0,0|0,0,0]=2 309 B7R0.2 CC(C)CC(N)CO CS19307 [0,2,0,0,0,0|0,0,0]=2 310 B7R0.2 CC(C)OC(=O)CO CS11522 [0,2,0,0,0,0|0,0,1]=3 311 B7R0.2 CN(C)CC(O)CO CS15349 [0,2,0,0,0,0|1,0,0]=3 312 B7R0.2 COC(=O)CC(C)O CS11584 [0,2,0,0,0,0|1,0,1]=4 313 B7R0.2 NCC(O)CC(=O)O CS16710 [0,2,0,0,0,0|1,0,1]=4 314 B7R0.3 C=CCCC(O)CCl MC114485 [0,2,0,0,0,0|2,0,0]=4 315 B7R0.3 CCC(O)CCCO MC116029 [0,2,0,0,0,0|1,0,0]=3 316 B7R0.3 CSCCC(N)CO MC437961 [0,2,0,0,0,0|1,1,0]=4 317 B7R0.5 CC(C)C(=O)CC#N MC41933 [0,2,0,0,0,0|1,0,1]=4 318 B7R0.5 CCOC(=O)C(C)C CS11388 [0,2,0,0,0,0|1,0,1]=4 319 B7R0.5 NC(CCO)C(=O)O CS13886 [0,2,0,0,0,0|1,0,1]=4 320 B7R0.5 NC(CCO)C(=O)O CS16701 [0,2,0,0,0,0|1,0,1]=4 321 B7R0.5 NC(CCO)C(=O)O CS22620 [0,2,0,0,0,0|1,0,1]=4 322 B7R0.7 CCCC(N)CCO CS16692 [0,2,0,0,0,0|1,0,0]=3 323 B7R0.7 CN(CCCl)CCCl CS11572 [0,2,0,0,0,0|2,0,0]=4 324 B7R0.10 CCC(C)C(N)CO CS18903 [0,2,0,0,0,0|0,0,0]=2 325 B7R0.10 CCC(C)C(N)CO MC437812 [0,2,0,0,0,0|0,0,0]=2 326 B7R0.10 COC(=O)C(F)CO CS17081 [0,2,0,0,0,0|1,0,1]=4 327 B7R0.10 COC(=O)C(N)CO CS16778 [0,2,0,0,0,0|1,0,1]=4 328 B7R0.10 COC(=O)C(N)CO CS16785 [0,2,0,0,0,0|1,0,1]=4 329 B7R0.10 COC(=O)C(N)CO CS22621 [0,2,0,0,0,0|1,0,1]=4 330 B7R0.10 COC(=O)C(O)CO MC429048 [0,2,0,0,0,0|1,0,1]=4 331 B7R0.10 OC(CS)C(O)CS MC436992 [0,2,0,0,0,0|1,1,0]=4 332 B7R0.10 OC(CS)C(O)CS MC436993 [0,2,0,0,0,0|1,1,0]=4 333 B7R0.11 COCC(C)(C)CN MC418388 [0,2,0,0,0,0|2,0,0]=4 334 B7R0.11 COCC(C)(C)CN MC431431 [0,2,0,0,0,0|2,0,0]=4 335 B7R0.12 CCN(CC)CCCl CS16184 [0,2,0,0,0,0|2,0,0]=4 336 B7R0.12 CCN(CC)CCN MC21046 [0,2,0,0,0,0|2,0,0]=4 337 B7R0.12 COC(CSC)OC MC10796 [0,2,0,0,0,0|2,0,0]=4 338 B7R0.9 CC(C)(C)CC(=O)O CS22814 [0,2,0,0,0,0|0,0,1]=3 339 B7R0.9 CC(C)(N)CC(=O)O CS14805 [0,2,0,0,0,0|0,0,1]=3 340 B7R0.9 CC(C)(N)CC(=O)O CS17039 [0,2,0,0,0,0|0,0,1]=3 341 B7R0.9 CC(C)CS(=O)(=O)Cl MC33117 [0,2,0,0,0,0|1,0,1]=4 342 B7R0.9 CC(O)CC(C)(C)O MC428277 [0,2,0,0,0,0|0,0,0]=2 343 B7R0.9 CN(C)CC(C)(C)O MC41894 [0,2,0,0,0,0|1,0,0]=3 344 B7R0.9 C[N+](C)(C)CC(=O)O MC34237 [0,2,0,0,0,0|1,0,1]=4 345 B7R0.9 C[Si](C)(C)CB(O)O MC114491 [0,2,0,0,0,0|1,1,0]=4 346 B7R0.16 CC(C)C(Br)C(=O)O MC431184 [0,2,0,0,0,0|0,0,1]=3 347 B7R0.16 CC(C)C(Cl)C(=O)O MC426014 [0,2,0,0,0,0|0,0,1]=3 348 B7R0.16 CC(C)C(F)C(=O)O MC429818 [0,2,0,0,0,0|0,0,1]=3 349 B7R0.16 CC(C)C(N)B(O)O MC442651 [0,2,0,0,0,0|1,0,0]=3 350 B7R0.16 CC(C)C(N)C(=O)O CS19285 [0,2,0,0,0,0|0,0,1]=3 351 B7R0.16 CC(C)C(N)C(=O)O MC438291 [0,2,0,0,0,0|0,0,1]=3 352 B7R0.16 CC(C)C(N)C(=O)O MC438292 [0,2,0,0,0,0|0,0,1]=3 353 B7R0.16 CC(C)C(N)C(C)C CS17730 [0,2,0,0,0,0|1,0,0]=3 354 B7R0.16 CC(C)C(N)C(N)=O CS11445 [0,2,0,0,0,0|0,0,2]=4 355 B7R0.16 CC(C)C(N)C(N)=O MC428367 [0,2,0,0,0,0|0,0,2]=4 356 B7R0.16 CC(C)C(N)C(N)=O MC435294 [0,2,0,0,0,0|0,0,2]=4 357 B7R0.16 CC(C)C(O)C(=O)O MC437769 [0,2,0,0,0,0|0,0,1]=3 358 B7R0.16 CC(C)C(O)C(=O)O MC437770 [0,2,0,0,0,0|0,0,1]=3 359 B7R0.16 CC(O)C(N)C(=O)O CS16722 [0,2,0,0,0,0|1,0,1]=4 360 B7R0.16 CC(O)C(N)C(=O)O CS22619 [0,2,0,0,0,0|1,0,1]=4 361 B7R0.16 CC(O)C(N)C(=O)O MC438198 [0,2,0,0,0,0|1,0,1]=4 362 B7R0.16 CC(O)C(N)C(=O)O MC438199 [0,2,0,0,0,0|1,0,1]=4 363 B7R0.16 CC(O)C(N)C(=O)O MC438200 [0,2,0,0,0,0|1,0,1]=4 364 B7R0.13 CC(C)C(C)(N)C#N CS21220 [0,2,0,0,0,0|1,0,1]=4 365 B7R0.13 OCC(F)(F)C(F)F CS20946 [0,2,0,0,0,0|2,0,0]=4 366 B7R0.14 CC(C)(C)C(N)CO MC439423 [0,2,0,0,0,0|0,0,0]=2 367 B7R0.14 CC(C)(C)C(N)CO MC439424 [0,2,0,0,0,0|0,0,0]=2 368 B7R0.14 CC(CO)C(F)(F)F CS15351 [0,2,0,0,0,0|2,0,0]=4 369 B7R0.14 NC(CO)C(F)(F)F MC430031 [0,2,0,0,0,0|2,0,0]=4 370 B7R0.4 CC(O)CCCCO MC112436 [0,2,0,0,0,0|1,0,0]=3 371 B7R0.4 CCCCCC(C)O CS21570 [0,2,0,0,0,0|2,0,0]=4 372 B7R0.4 CN(C)CCCCO CS22813 [0,2,0,0,0,0|1,0,0]=3 373 B7R0.4 COCCCC(C)N MC112163 [0,2,0,0,0,0|1,0,0]=3 374 B7R0.6 C=C(C)CCC(=O)O CS16527 [0,2,0,0,0,0|0,0,2]=4 375 B7R0.6 CC(=O)CCC(=O)O CS18688 [0,2,0,0,0,0|1,0,1]=4 376 B7R0.6 CC(C)CCC(=O)Cl MC20895 [0,2,0,0,0,0|0,0,1]=3 377 B7R0.6 CC(C)CCC(C)N MC446673 [0,2,0,0,0,0|1,0,0]=3 378 B7R0.6 CC(C)CO[N+](=O)[O-] MC434046 [0,2,0,0,0,0|1,0,1]=4 379 B7R0.6 CC(N)CCC(=O)O MC435302 [0,2,0,0,0,0|1,0,0]=3 380 B7R0.6 CN(C)CCC(=O)O CS12169 [0,2,0,0,0,0|1,0,0]=3 381 B7R0.6 CN(C)CCN(C)C MC425151 [0,2,0,0,0,0|2,0,0]=4 382 B7R0.6 CN(C)CCN(C)C MC444920 [0,2,0,0,0,0|2,0,0]=4 383 B7R0.8 C[N+](C)(C)CCCBr CS20170 [0,2,0,0,0,0|2,0,0]=4 384 B7R0.8 OCCCC(F)(F)F MC20741 [0,2,0,0,0,0|2,0,0]=4 385 B5R1.2 BrC1CNC1 MC444255 [1,0,0,1,0,0|2,0,0]=4 386 B5R1.2 BrC1COC1 MC425330 [1,0,0,1,0,0|1,0,0]=3 387 B5R1.2 CC1CNC1 CS13089 [1,0,0,1,0,0|1,0,0]=3 388 B5R1.2 ClC1CNC1 MC444320 [1,0,0,1,0,0|2,0,0]=4 389 B5R1.2 FC1CNC1 CS22297 [1,0,0,1,0,0|2,0,0]=4 390 B5R1.2 FC1COC1 MC113065 [1,0,0,1,0,0|1,0,0]=3 391 B5R1.2 IC1CNC1 MC444286 [1,0,0,1,0,0|2,0,0]=4 392 B5R1.2 IC1COC1 MC10503 [1,0,0,1,0,0|1,0,0]=3 393 B5R1.2 NC1COC1 CS22388 [1,0,0,1,0,0|1,0,0]=3 394 B5R1.2 NC1COC1 MC425332 [1,0,0,1,0,0|1,0,0]=3 395 B5R1.2 NC1CSC1 MC102176 [1,0,0,1,0,0|1,1,0]=4 396 B5R1.2 NC1CSC1 MC115657 [1,0,0,1,0,0|1,1,0]=4 397 B5R1.2 O=C1CCC1 MC10479 [1,0,0,1,0,0|1,0,1]=4 398 B5R1.2 O=C1COC1 CS22391 [1,0,0,1,0,0|1,0,1]=4 399 B5R1.2 OC1CCC1 CS11176 [1,0,0,1,0,0|1,0,0]=3 400 B5R1.2 OC1CNC1 CS14687 [1,0,0,1,0,0|2,0,0]=4 401 B5R1.2 OC1COC1 CS19329 [1,0,0,1,0,0|1,0,0]=3 402 B5R1.2 SC1COC1 MC101966 [1,0,0,1,0,0|1,0,0]=3 403 B5R1.3 BrCC1CC1 MC10481 [1,0,0,1,0,0|1,0,0]=3 404 B5R1.3 Br[Zn]C1CC1 MC121325 [1,0,0,1,0,0|2,0,0]=4 405 B5R1.3 CCC1CO1 MC20699 [1,0,0,1,0,0|1,0,0]=3 406 B5R1.3 CCC1CO1 MC428314 [1,0,0,1,0,0|1,0,0]=3 407 B5R1.3 CNC1CC1 CS13160 [1,0,0,1,0,0|1,0,0]=3 408 B5R1.3 ClCC1CC1 CS19956 [1,0,0,1,0,0|1,0,0]=3 409 B5R1.3 ClCC1CO1 MC20322 [1,0,0,1,0,0|2,0,0]=4 410 B5R1.3 ClCC1CO1 MC41680 [1,0,0,1,0,0|2,0,0]=4 411 B5R1.3 ICC1CO1 MC102795 [1,0,0,1,0,0|2,0,0]=4 412 B5R1.3 N#CC1CC1 MC41837 [1,0,0,1,0,0|1,0,1]=4 413 B5R1.3 NCC1CC1 CS18907 [1,0,0,1,0,0|1,0,0]=3 414 B5R1.3 NNC1CC1 CS15677 [1,0,0,1,0,0|2,0,0]=4 415 B5R1.3 NNC1CC1 CS18095 [1,0,0,1,0,0|2,0,0]=4 416 B5R1.3 O=CC1CC1 MC428327 [1,0,0,1,0,0|0,0,2]=4 417 B5R1.3 OCC1CC1 CS19620 [1,0,0,1,0,0|0,0,0]=2 418 B5R1.4 FC1CC1Br MC102831 [1,0,0,1,0,0|2,0,0]=4 419 B5R1.4 NC1CC1F MC102833 [1,0,0,1,0,0|2,0,0]=4 420 B5R1.4 NC1CC1F MC425321 [1,0,0,1,0,0|2,0,0]=4 421 B5R1.5 CC1(C)CO1 MC41673 [1,0,0,1,0,0|0,0,0]=2 422 B5R1.5 CC1(N)CC1 CS15074 [1,0,0,1,0,0|1,0,0]=3 423 B5R1.1 C1CCNC1 MC41708 [1,0,0,1,0,0|1,0,0]=3 424 B5R1.1 C1CNNC1 CS16750 [1,0,0,1,0,0|2,0,0]=4 425 B7R1.1 BrCC1CCCC1 MC20145 [0,1,0,1,0,0|1,0,0]=3 426 B7R1.1 BrCC1CCCN1 MC114648 [0,1,0,1,0,0|2,0,0]=4 427 B7R1.1 BrCC1CCCO1 MC106365 [0,1,0,1,0,0|2,0,0]=4 428 B7R1.1 Br[Zn]C1CCCC1 MC121342 [0,1,0,1,0,0|2,0,0]=4 429 B7R1.1 C#CC1CCOC1 MC103679 [0,1,0,1,0,0|0,0,1]=3 430 B7R1.1 CCC1CCCN1 MC110951 [0,1,0,1,0,0|2,0,0]=4 431 B7R1.1 CNC1CCOC1 MC104966 [0,1,0,1,0,0|0,0,0]=2 432 B7R1.1 CNC1CCOC1 MC105597 [0,1,0,1,0,0|0,0,0]=2 433 B7R1.1 COC1CCCN1 MC41692 [0,1,0,1,0,0|2,0,0]=4 434 B7R1.1 COC1CCNC1 CS12136 [0,1,0,1,0,0|1,0,0]=3 435 B7R1.1 COC1CCNC1 CS12137 [0,1,0,1,0,0|1,0,0]=3 436 B7R1.1 COC1CCNC1 CS22350 [0,1,0,1,0,0|1,0,0]=3 437 B7R1.1 FCC1CCCN1 MC100102 [0,1,0,1,0,0|2,0,0]=4 438 B7R1.1 FCC1CCNC1 MC103199 [0,1,0,1,0,0|1,0,0]=3 439 B7R1.1 N#CC1CCCC1 MC433761 [0,1,0,1,0,0|1,0,1]=4 440 B7R1.1 N#CC1CCOC1 MC103877 [0,1,0,1,0,0|0,0,1]=3 441 B7R1.1 N#CC1CCOC1 MC103878 [0,1,0,1,0,0|0,0,1]=3 442 B7R1.1 NCC1CCCC1 CS14873 [0,1,0,1,0,0|1,0,0]=3 443 B7R1.1 NCC1CCCN1 CS15469 [0,1,0,1,0,0|2,0,0]=4 444 B7R1.1 NCC1CCCN1 CS15745 [0,1,0,1,0,0|2,0,0]=4 445 B7R1.1 NCC1CCNC1 MC431426 [0,1,0,1,0,0|1,0,0]=3 446 B7R1.1 NCC1CCOC1 MC102307 [0,1,0,1,0,0|0,0,0]=2 447 B7R1.1 NCC1CCOC1 MC103862 [0,1,0,1,0,0|0,0,0]=2 448 B7R1.1 NCC1CCOC1 MC115675 [0,1,0,1,0,0|0,0,0]=2 449 B7R1.1 NCC1CCOC1 MC121256 [0,1,0,1,0,0|0,0,0]=2 450 B7R1.1 O=CC1CCCC1 MC21048 [0,1,0,1,0,0|1,0,1]=4 451 B7R1.1 OCC1CC=CC1 CS20734 [0,1,0,1,0,0|1,0,1]=4 452 B7R1.1 OCC1CCCC1 CS11185 [0,1,0,1,0,0|1,0,0]=3 453 B7R1.1 OCC1CCCN1 CS17003 [0,1,0,1,0,0|2,0,0]=4 454 B7R1.1 OCC1CCCN1 CS22640 [0,1,0,1,0,0|2,0,0]=4 455 B7R1.1 OCC1CCCO1 MC20392 [0,1,0,1,0,0|2,0,0]=4 456 B7R1.1 OCC1CCNC1 CS11284 [0,1,0,1,0,0|1,0,0]=3 457 B7R1.1 OCC1CCNC1 CS16764 [0,1,0,1,0,0|1,0,0]=3 458 B7R1.1 OCC1CCNC1 CS18341 [0,1,0,1,0,0|1,0,0]=3 459 B7R1.1 OCC1CCNC1 MC102405 [0,1,0,1,0,0|1,0,0]=3 460 B7R1.1 OCC1CCNC1 MC115660 [0,1,0,1,0,0|1,0,0]=3 461 B7R1.1 OCC1CCOC1 MC113000 [0,1,0,1,0,0|0,0,0]=2 462 B7R1.1 OCC1CCOC1 MC113001 [0,1,0,1,0,0|0,0,0]=2 463 B7R1.1 OCC1CCOC1 MC427704 [0,1,0,1,0,0|0,0,0]=2 464 B7R1.2 CC1=NC(C)CO1 MC428186 [0,1,0,1,0,0|1,0,1]=4 465 B7R1.2 CC1CCC(C)N1 MC102818 [0,1,0,1,0,0|2,0,0]=4 466 B7R1.2 CC1COC(=O)N1 CS14300 [0,1,0,1,0,0|1,0,1]=4 467 B7R1.2 CC1COC(=O)O1 MC428298 [0,1,0,1,0,0|1,0,1]=4 468 B7R1.2 CN1CCC(=O)C1 CS20760 [0,1,0,1,0,0|1,0,1]=4 469 B7R1.2 CN1CCC(N)C1 MC444033 [0,1,0,1,0,0|2,0,0]=4 470 B7R1.2 CN1CCC(N)C1 MC444055 [0,1,0,1,0,0|2,0,0]=4 471 B7R1.2 CN1CCC(N)C1 MC444130 [0,1,0,1,0,0|2,0,0]=4 472 B7R1.2 CN1CCC(O)C1 MC20690 [0,1,0,1,0,0|1,0,0]=3 473 B7R1.2 CN1CCC(O)C1 MC444062 [0,1,0,1,0,0|1,0,0]=3 474 B7R1.2 CN1CCC(O)C1 MC444273 [0,1,0,1,0,0|1,0,0]=3 475 B7R1.2 NC1CCC(O)C1 CS12946 [0,1,0,1,0,0|1,0,0]=3 476 B7R1.2 NC1CCC(O)C1 CS14798 [0,1,0,1,0,0|1,0,0]=3 477 B7R1.2 NC1CCC(O)C1 CS15869 [0,1,0,1,0,0|1,0,0]=3 478 B7R1.2 NC1CCC(O)C1 CS16172 [0,1,0,1,0,0|1,0,0]=3 479 B7R1.2 NC1COC(=O)C1 CS14340 [0,1,0,1,0,0|1,0,1]=4 480 B7R1.2 NC1COC(=O)C1 CS14674 [0,1,0,1,0,0|1,0,1]=4 481 B7R1.2 O=C1CC(O)CN1 CS14706 [0,1,0,1,0,0|1,0,1]=4 482 B7R1.2 O=C1CC(O)CN1 CS16472 [0,1,0,1,0,0|1,0,1]=4 483 B7R1.2 O=C1CCC(I)C1 MC115016 [0,1,0,1,0,0|1,0,1]=4 484 B7R1.3 BrC1CCCCC1 CS11079 [0,1,0,1,0,0|2,0,0]=4 485 B7R1.3 BrC1CCNCC1 CS18356 [0,1,0,1,0,0|2,0,0]=4 486 B7R1.3 BrC1CCOCC1 CS18193 [0,1,0,1,0,0|1,0,0]=3 487 B7R1.3 CC1CCCCN1 MC20418 [0,1,0,1,0,0|1,0,0]=3 488 B7R1.3 CC1CCCNC1 CS16133 [0,1,0,1,0,0|1,0,0]=3 489 B7R1.3 CC1CCCNC1 MC425227 [0,1,0,1,0,0|1,0,0]=3 490 B7R1.3 CC1CNCCN1 CS13503 [0,1,0,1,0,0|1,0,0]=3 491 B7R1.3 CC1CNCCN1 CS17164 [0,1,0,1,0,0|1,0,0]=3 492 B7R1.3 CC1CNCCN1 CS17167 [0,1,0,1,0,0|1,0,0]=3 493 B7R1.3 CC1CNCCO1 CS14515 [0,1,0,1,0,0|1,0,0]=3 494 B7R1.3 CC1CNCCO1 CS14521 [0,1,0,1,0,0|1,0,0]=3 495 B7R1.3 CC1CNCCO1 CS19299 [0,1,0,1,0,0|1,0,0]=3 496 B7R1.3 CC1CNCCO1 CS21692 [0,1,0,1,0,0|1,0,0]=3 497 B7R1.3 CC1CNCCO1 MC444038 [0,1,0,1,0,0|1,0,0]=3 498 B7R1.3 CC1CNCCO1 MC444192 [0,1,0,1,0,0|1,0,0]=3 499 B7R1.3 CC1COCCN1 CS14856 [0,1,0,1,0,0|0,0,0]=2 500 B7R1.3 CC1COCCN1 CS20285 [0,1,0,1,0,0|0,0,0]=2 501 B7R1.3 CC1COCCN1 CS22371 [0,1,0,1,0,0|0,0,0]=2 502 B7R1.3 CC1COCCN1 CS22413 [0,1,0,1,0,0|0,0,0]=2 503 B7R1.3 CC1COCCN1 MC20820 [0,1,0,1,0,0|0,0,0]=2 504 B7R1.3 CN1CC=CCC1 CS20742 [0,1,0,1,0,0|2,0,0]=4 505 B7R1.3 CN1CCNCC1 MC20458 [0,1,0,1,0,0|2,0,0]=4 506 B7R1.3 ClC1CCNCC1 CS16938 [0,1,0,1,0,0|2,0,0]=4 507 B7R1.3 FC1CCCNC1 MC101908 [0,1,0,1,0,0|2,0,0]=4 508 B7R1.3 FC1CCCNC1 MC101918 [0,1,0,1,0,0|2,0,0]=4 509 B7R1.3 FC1CCCNC1 MC444270 [0,1,0,1,0,0|2,0,0]=4 510 B7R1.3 FC1CCNCC1 CS22845 [0,1,0,1,0,0|2,0,0]=4 511 B7R1.3 IC1CCOCC1 CS18194 [0,1,0,1,0,0|1,0,0]=3 512 B7R1.3 NC1CCCNC1 CS17178 [0,1,0,1,0,0|2,0,0]=4 513 B7R1.3 NC1CCCNC1 CS17182 [0,1,0,1,0,0|2,0,0]=4 514 B7R1.3 NC1CCCNC1 CS22655 [0,1,0,1,0,0|2,0,0]=4 515 B7R1.3 NC1CCOCC1 CS16997 [0,1,0,1,0,0|1,0,0]=3 516 B7R1.3 NC1CCOCC1 CS18985 [0,1,0,1,0,0|1,0,0]=3 517 B7R1.3 O=C1CCCOC1 MC31097 [0,1,0,1,0,0|1,0,1]=4 518 B7R1.3 O=C1CCOCC1 CS13380 [0,1,0,1,0,0|1,0,1]=4 519 B7R1.3 O=C1COCCN1 CS11697 [0,1,0,1,0,0|1,0,1]=4 520 B7R1.3 O=C1COCCO1 MC20725 [0,1,0,1,0,0|1,0,1]=4 521 B7R1.3 OC1CCCNC1 CS17016 [0,1,0,1,0,0|2,0,0]=4 522 B7R1.3 OC1CCCNC1 CS17020 [0,1,0,1,0,0|2,0,0]=4 523 B7R1.3 OC1CCCNC1 CS22642 [0,1,0,1,0,0|2,0,0]=4 524 B7R1.3 OC1CCCOC1 CS17782 [0,1,0,1,0,0|1,0,0]=3 525 B7R1.3 OC1CCNCC1 CS14900 [0,1,0,1,0,0|2,0,0]=4 526 B7R1.3 OC1CCNCC1 CS22643 [0,1,0,1,0,0|2,0,0]=4 527 B7R1.3 OC1CCOCC1 CS13929 [0,1,0,1,0,0|1,0,0]=3 528 B7R1.3 OC1CCSCC1 CS12012 [0,1,0,1,0,0|1,1,0]=4 529 B7R1.3 SC1CCCNC1 MC105166 [0,1,0,1,0,0|2,0,0]=4 530 B7R1.3 SC1CCOCC1 MC107026 [0,1,0,1,0,0|1,0,0]=3 531 B7R1.4 CC1COCC1N MC444024 [0,1,0,1,0,0|0,0,0]=2 532 B7R1.4 CC1OCCC1=O CS14135 [0,1,0,1,0,0|1,0,1]=4 533 B7R1.4 NC1CCCC1O CS11147 [0,1,0,1,0,0|2,0,0]=4 534 B7R1.4 NC1CCCC1O CS15594 [0,1,0,1,0,0|2,0,0]=4 535 B7R1.4 NC1CCCC1O CS18884 [0,1,0,1,0,0|2,0,0]=4 536 B7R1.4 NC1CCCC1O CS19404 [0,1,0,1,0,0|2,0,0]=4 537 B7R1.4 NC1CCOC1=O CS18578 [0,1,0,1,0,0|1,0,1]=4 538 B7R1.4 NC1CCOC1=O MC439296 [0,1,0,1,0,0|1,0,1]=4 539 B7R1.4 NC1COCC1N MC101979 [0,1,0,1,0,0|1,0,0]=3 540 B7R1.4 NC1COCC1N MC101980 [0,1,0,1,0,0|1,0,0]=3 541 B7R1.4 NC1COCC1N MC103863 [0,1,0,1,0,0|1,0,0]=3 542 B7R1.4 NC1COCC1N MC113515 [0,1,0,1,0,0|1,0,0]=3 543 B7R1.4 NC1COCC1N MC444023 [0,1,0,1,0,0|1,0,0]=3 544 B7R1.4 NC1COCC1O MC105386 [0,1,0,1,0,0|1,0,0]=3 545 B7R1.4 NC1COCC1O MC105387 [0,1,0,1,0,0|1,0,0]=3 546 B7R1.4 NC1COCC1O MC431325 [0,1,0,1,0,0|1,0,0]=3 547 B7R1.4 OC1CNCC1O CS20186 [0,1,0,1,0,0|2,0,0]=4 548 B7R1.4 OC1CNCC1O MC103857 [0,1,0,1,0,0|2,0,0]=4 549 B7R1.5 CC1CC1N=C=O MC121381 [0,1,0,1,0,0|0,0,2]=4 550 B7R1.6 COCC1CCN1 MC103809 [0,1,0,1,0,0|2,0,0]=4 551 B7R1.6 COCC1CCN1 MC103810 [0,1,0,1,0,0|2,0,0]=4 552 B7R1.6 COCC1CNC1 MC444220 [0,1,0,1,0,0|2,0,0]=4 553 B7R1.6 ClCCN1CCC1 MC103600 [0,1,0,1,0,0|2,0,0]=4 554 B7R1.6 N#CCC1CNC1 MC105355 [0,1,0,1,0,0|1,0,1]=4 555 B7R1.6 NNCC1CCC1 MC106836 [0,1,0,1,0,0|2,0,0]=4 556 B7R1.6 OCCN1CCC1 MC106862 [0,1,0,1,0,0|1,0,0]=3 557 B7R1.8 CN1CCC1CN MC104666 [0,1,0,1,0,0|2,0,0]=4 558 B7R1.8 CN1CCC1CN MC104667 [0,1,0,1,0,0|2,0,0]=4 559 B7R1.8 CN1CCC1CN MC105491 [0,1,0,1,0,0|2,0,0]=4 560 B7R1.8 O=C1CCC1CO MC104211 [0,1,0,1,0,0|1,0,1]=4 561 B7R1.8 O=C1CCC1CO MC104212 [0,1,0,1,0,0|1,0,1]=4 562 B7R1.8 O=C1CCC1CO MC104213 [0,1,0,1,0,0|1,0,1]=4 563 B7R1.10 CCN1CC(N)C1 MC103459 [0,1,0,1,0,0|2,0,0]=4 564 B7R1.10 CCN1CC(O)C1 MC444112 [0,1,0,1,0,0|1,0,0]=3 565 B7R1.10 CN1CC(CBr)C1 MC106288 [0,1,0,1,0,0|2,0,0]=4 566 B7R1.10 CNC1CC(O)C1 MC104910 [0,1,0,1,0,0|0,0,0]=2 567 B7R1.10 CNC1CC(O)C1 MC444221 [0,1,0,1,0,0|0,0,0]=2 568 B7R1.10 CNC1CN(C)C1 MC103651 [0,1,0,1,0,0|2,0,0]=4 569 B7R1.10 COC1CC(N)C1 MC102191 [0,1,0,1,0,0|1,0,0]=3 570 B7R1.10 COC1CC(N)C1 MC102192 [0,1,0,1,0,0|1,0,0]=3 571 B7R1.10 COC1CC(N)C1 MC105249 [0,1,0,1,0,0|1,0,0]=3 572 B7R1.10 COC1CC(N)C1 MC105250 [0,1,0,1,0,0|1,0,0]=3 573 B7R1.10 COC1CC(N)C1 MC112995 [0,1,0,1,0,0|1,0,0]=3 574 B7R1.10 COC1CC(N)C1 MC444289 [0,1,0,1,0,0|1,0,0]=3 575 B7R1.10 N#CC1CC(N)C1 MC103407 [0,1,0,1,0,0|1,0,1]=4 576 B7R1.10 NC1CC(CO)C1 MC101938 [0,1,0,1,0,0|1,0,0]=3 577 B7R1.10 NC1CC(CO)C1 MC101939 [0,1,0,1,0,0|1,0,0]=3 578 B7R1.10 NC1CC(CO)C1 MC103939 [0,1,0,1,0,0|1,0,0]=3 579 B7R1.10 NC1CC(CO)C1 MC104003 [0,1,0,1,0,0|1,0,0]=3 580 B7R1.10 NC1CC(CO)C1 MC104004 [0,1,0,1,0,0|1,0,0]=3 581 B7R1.10 NC1CC(CO)C1 MC112994 [0,1,0,1,0,0|1,0,0]=3 582 B7R1.10 NCC1CC(=O)C1 MC444212 [0,1,0,1,0,0|0,0,2]=4 583 B7R1.10 NCC1CC(F)C1 MC103708 [0,1,0,1,0,0|1,0,0]=3 584 B7R1.10 NCC1CC(F)C1 MC104711 [0,1,0,1,0,0|1,0,0]=3 585 B7R1.10 NCC1CC(F)C1 MC444589 [0,1,0,1,0,0|1,0,0]=3 586 B7R1.10 NCC1CC(O)C1 MC101920 [0,1,0,1,0,0|0,0,0]=2 587 B7R1.10 NCC1CC(O)C1 MC101929 [0,1,0,1,0,0|0,0,0]=2 588 B7R1.10 NCC1CC(O)C1 MC103940 [0,1,0,1,0,0|0,0,0]=2 589 B7R1.10 NCC1CC(O)C1 MC113027 [0,1,0,1,0,0|0,0,0]=2 590 B7R1.10 NCC1CC(O)C1 MC115656 [0,1,0,1,0,0|0,0,0]=2 591 B7R1.10 O=C1CC(CO)C1 MC113039 [0,1,0,1,0,0|0,0,2]=4 592 B7R1.21 CCOC1(O)CC1 CS16017 [0,1,0,1,0,0|2,0,0]=4 593 B7R1.22 N=C(NO)C1CC1 CS11781 [0,1,0,1,0,0|1,0,1]=4 594 B7R1.22 O=C(CBr)C1CC1 MC433212 [0,1,0,1,0,0|1,0,1]=4 595 B7R1.25 CC1(CBr)COC1 CS22179 [0,1,0,1,0,0|2,0,0]=4 596 B7R1.25 CC1(CN)CCC1 MC104689 [0,1,0,1,0,0|1,0,0]=3 597 B7R1.25 CC1(CN)CCC1 MC121097 [0,1,0,1,0,0|1,0,0]=3 598 B7R1.25 CC1(CN)CNC1 MC102409 [0,1,0,1,0,0|2,0,0]=4 599 B7R1.25 CC1(CN)COC1 CS22390 [0,1,0,1,0,0|2,0,0]=4 600 B7R1.25 CC1(CO)CCO1 MC102954 [0,1,0,1,0,0|0,0,0]=2 601 B7R1.25 CC1(CO)COC1 CS16968 [0,1,0,1,0,0|2,0,0]=4 602 B7R1.25 CC1(CO)CSC1 MC121099 [0,1,0,1,0,0|2,0,0]=4 603 B7R1.25 CC1(CS)COC1 MC115780 [0,1,0,1,0,0|2,0,0]=4 604 B7R1.25 CNC1(C)COC1 MC115767 [0,1,0,1,0,0|2,0,0]=4 605 B7R1.25 COC1(C)CNC1 MC112993 [0,1,0,1,0,0|2,0,0]=4 606 B7R1.25 NCC1(N)CCC1 CS17914 [0,1,0,1,0,0|2,0,0]=4 607 B7R1.25 NCC1(O)CCC1 CS12835 [0,1,0,1,0,0|2,0,0]=4 608 B7R1.12 CC1CC1C(=O)O MC100841 [0,1,0,1,0,0|0,0,1]=3 609 B7R1.12 CC1CC1C(=O)O MC103281 [0,1,0,1,0,0|0,0,1]=3 610 B7R1.12 CC1CC1C(N)=O MC425328 [0,1,0,1,0,0|0,0,2]=4 611 B7R1.12 O=C(O)C1CC1Br MC430635 [0,1,0,1,0,0|1,0,1]=4 612 B7R1.12 O=C(O)C1CC1F MC21162 [0,1,0,1,0,0|1,0,1]=4 613 B7R1.12 O=C(O)C1CC1F MC425300 [0,1,0,1,0,0|1,0,1]=4 614 B7R1.12 O=C(O)C1CC1F MC425301 [0,1,0,1,0,0|1,0,1]=4 615 B7R1.12 O=C(O)C1CC1F MC425302 [0,1,0,1,0,0|1,0,1]=4 616 B7R1.12 O=C(O)C1CC1F MC425316 [0,1,0,1,0,0|1,0,1]=4 617 B7R1.12 O=C(O)C1CC1I MC102749 [0,1,0,1,0,0|1,0,1]=4 618 B7R1.12 O=C(O)C1CC1I MC425298 [0,1,0,1,0,0|1,0,1]=4 619 B7R1.16 CC1(C)CC(Br)C1 MC115986 [0,1,0,1,0,0|1,0,0]=3 620 B7R1.16 CC1(N)CC(O)C1 MC103486 [0,1,0,1,0,0|0,0,0]=2 621 B7R1.16 CC1(N)CC(O)C1 MC103487 [0,1,0,1,0,0|0,0,0]=2 622 B7R1.16 CC1(O)CC(N)C1 MC103384 [0,1,0,1,0,0|1,0,0]=3 623 B7R1.16 FC1(F)CC(Br)C1 MC444248 [0,1,0,1,0,0|2,0,0]=4 624 B7R1.16 NC1CC(F)(F)C1 CS21900 [0,1,0,1,0,0|2,0,0]=4 625 B7R1.16 O=S1(=O)CC(O)C1 CS17454 [0,1,0,1,0,0|2,0,0]=4 626 B7R1.16 OC1CC(F)(F)C1 MC430977 [0,1,0,1,0,0|1,0,0]=3 627 B7R1.20 N=C(N)CC1CC1 MC114877 [0,1,0,1,0,0|1,0,1]=4 628 B7R1.20 O=C(O)CC1CC1 MC433946 [0,1,0,1,0,0|0,0,1]=3 629 B7R1.18 CC(O)C1CCC1 CS20672 [0,1,0,1,0,0|2,0,0]=4 630 B7R1.18 CN(C)C1CNC1 CS15992 [0,1,0,1,0,0|2,0,0]=4 631 B7R1.23 NCC1CC1(F)F MC431599 [0,1,0,1,0,0|2,0,0]=4 632 B7R1.23 OCC1CC1(F)F MC429452 [0,1,0,1,0,0|1,0,0]=3 633 B7R1.7 C=CCCC1CO1 MC42008 [0,1,0,1,0,0|2,0,0]=4 634 B7R1.14 CC1(C)NCCS1 CS22651 [0,1,0,1,0,0|0,1,0]=3 635 B7R1.14 CC1(O)CCCC1 CS20768 [0,1,0,1,0,0|1,0,0]=3 636 B7R1.14 CC1(O)CCNC1 MC107172 [0,1,0,1,0,0|1,0,0]=3 637 B7R1.14 FC1(F)CCNC1 CS16398 [0,1,0,1,0,0|2,0,0]=4 638 B7R2.11 C1NC2CC1C2 MC102501 [0,0,0,2,0,0|1,0,0]=3 639 B7R2.13 C1CC2CC2N1 MC105462 [0,0,0,2,0,0|1,0,0]=3 640 B7R2.13 C1CC2CC2N1 MC121378 [0,0,0,2,0,0|1,0,0]=3 641 B7R2.13 C1NCC2CC12 MC104429 [0,0,0,2,0,0|1,0,0]=3 642 B7R2.13 C1NCC2CC12 MC425327 [0,0,0,2,0,0|1,0,0]=3