0 B5R0.1 C=C(C)CCBr CS14513 [0,0,0,0,0,0|2,0,1]=3 1 B5R0.1 CC(C)=CCBr MC41900 [0,0,0,0,0,0|2,0,2]=4 2 B5R0.1 CC(C)CC=O CS11530 [0,0,0,0,0,0|2,0,1]=3 3 B5R0.1 CC(C)SC#N MC41971 [0,0,0,0,0,0|3,0,1]=4 4 B5R0.1 CC(N)CCO CS14355 [0,0,0,0,0,0|2,0,0]=2 5 B5R0.1 CC(N)CCO CS14356 [0,0,0,0,0,0|2,0,0]=2 6 B5R0.1 CC(N)CCO CS22096 [0,0,0,0,0,0|2,0,0]=2 7 B5R0.1 CC(O)CON CS17735 [0,0,0,0,0,0|2,1,0]=3 8 B5R0.1 CCCB(O)O CS14802 [0,0,0,0,0,0|2,1,0]=3 9 B5R0.1 CCCC(C)=O CS21731 [0,0,0,0,0,0|0,1,1]=2 10 B5R0.1 CCC[N+](=O)[O-] MC428297 [0,0,0,0,0,0|2,1,0]=3 11 B5R0.1 CCOC(=N)N CS11818 [0,0,0,0,0,0|3,0,1]=4 12 B5R0.1 CN(C)CC=O CS17734 [0,0,0,0,0,0|3,0,1]=4 13 B5R0.1 CN(C)CCBr CS10949 [0,0,0,0,0,0|3,0,0]=3 14 B5R0.1 CN(C)CCCl CS14471 [0,0,0,0,0,0|3,0,0]=3 15 B5R0.1 CN(C)CCCl CS17225 [0,0,0,0,0,0|3,0,0]=3 16 B5R0.1 CN(C)CCN CS18603 [0,0,0,0,0,0|3,0,0]=3 17 B5R0.1 CN(C)CCO CS11733 [0,0,0,0,0,0|3,0,0]=3 18 B5R0.1 CNCC(=O)O CS18595 [0,0,0,0,0,0|2,1,1]=4 19 B5R0.1 CNCC(N)=O MC438151 [0,0,0,0,0,0|2,1,1]=4 20 B5R0.1 COCC(=O)Cl MC40491 [0,0,0,0,0,0|2,1,1]=4 21 B5R0.1 COCC(=O)O CS11579 [0,0,0,0,0,0|2,1,1]=4 22 B5R0.1 COCC(C)N CS15401 [0,0,0,0,0,0|2,0,0]=2 23 B5R0.1 COCC(C)O CS20249 [0,0,0,0,0,0|1,1,0]=2 24 B5R0.1 COCC(C)O CS20309 [0,0,0,0,0,0|1,1,0]=2 25 B5R0.1 COCC(C)O CS20741 [0,0,0,0,0,0|1,1,0]=2 26 B5R0.1 COCC(N)=O MC41924 [0,0,0,0,0,0|2,1,1]=4 27 B5R0.1 COCC(N)=S MC102255 [0,0,0,0,0,0|2,0,2]=4 28 B5R0.1 CSCC(=O)Cl MC106201 [0,0,0,0,0,0|2,1,1]=4 29 B5R0.1 CSCC(N)=O CS12608 [0,0,0,0,0,0|2,1,1]=4 30 B5R0.1 NCCC(=O)O CS13499 [0,0,0,0,0,0|2,1,1]=4 31 B5R0.1 NCCC(N)=O MC436150 [0,0,0,0,0,0|2,1,1]=4 32 B5R0.1 O=C(O)CCO MC20638 [0,0,0,0,0,0|2,1,1]=4 33 B4R0.1 C#CC(C)O MC427719 [1,0,0,0,0,0|0,1,2]=4 34 B4R0.1 CC(=O)CBr MC20986 [1,0,0,0,0,0|1,1,1]=4 35 B4R0.1 CC(=O)CN CS10921 [1,0,0,0,0,0|1,1,1]=4 36 B4R0.1 CC(=O)CO CS11467 [1,0,0,0,0,0|1,1,1]=4 37 B4R0.1 CC(C)C#N MC41920 [1,0,0,0,0,0|2,0,1]=4 38 B4R0.1 CC(C)NN CS11525 [1,0,0,0,0,0|3,0,0]=4 39 B4R0.1 CC(C)ON CS13668 [1,0,0,0,0,0|3,0,0]=4 40 B4R0.1 CC(C)[Zn]Br MC121350 [1,0,0,0,0,0|3,0,0]=4 41 B4R0.1 CC(Cl)CO CS20251 [1,0,0,0,0,0|2,0,0]=3 42 B4R0.1 CC(Cl)CO MC428270 [1,0,0,0,0,0|2,0,0]=3 43 B4R0.1 CC(N)CN CS20323 [1,0,0,0,0,0|2,0,0]=3 44 B4R0.1 CC(N)CN MC10147 [1,0,0,0,0,0|2,0,0]=3 45 B4R0.1 CC(N)CO CS14182 [1,0,0,0,0,0|2,0,0]=3 46 B4R0.1 CC(N)CO CS19476 [1,0,0,0,0,0|2,0,0]=3 47 B4R0.1 CC(N)CO CS21310 [1,0,0,0,0,0|2,0,0]=3 48 B4R0.1 CC(O)CCl MC20696 [1,0,0,0,0,0|1,1,0]=3 49 B4R0.1 CC(O)CCl MC20697 [1,0,0,0,0,0|1,1,0]=3 50 B4R0.1 CC(O)CN CS14075 [1,0,0,0,0,0|1,1,0]=3 51 B4R0.1 CC(O)CO MC20330 [1,0,0,0,0,0|1,1,0]=3 52 B4R0.1 CCB(O)O CS13979 [1,0,0,0,0,0|2,1,0]=4 53 B4R0.1 CCC(C)O MC10786 [1,0,0,0,0,0|0,1,0]=2 54 B4R0.1 CCC(N)=O CS11886 [1,0,0,0,0,0|1,1,1]=4 55 B4R0.1 C\C=C(/C)Br MC10255 [1,0,0,0,0,0|1,0,2]=4 56 B4R0.1 FC(F)CBr MC429454 [1,0,0,0,0,0|3,0,0]=4 57 B4R0.1 FC(F)CI MC429447 [1,0,0,0,0,0|3,0,0]=4 58 B4R0.1 NCC(F)F MC429451 [1,0,0,0,0,0|3,0,0]=4 59 B4R0.1 OCC(F)F CS20974 [1,0,0,0,0,0|3,0,0]=4 60 B4R0.2 C#CCCN MC424006 [1,0,0,0,0,0|1,0,2]=4 61 B4R0.2 C#CCNC MC41929 [1,0,0,0,0,0|1,0,2]=4 62 B4R0.2 C=COCC MC41915 [1,0,0,0,0,0|1,0,2]=4 63 B4R0.2 CCCC=O MC41868 [1,0,0,0,0,0|0,1,1]=3 64 B4R0.2 CCCCO MC41869 [1,0,0,0,0,0|0,1,0]=2 65 B4R0.2 CCC[Zn]Br MC121348 [1,0,0,0,0,0|2,0,0]=3 66 B4R0.2 CCNCC CS11240 [1,0,0,0,0,0|1,0,0]=2 67 B4R0.2 CCOC=N MC33024 [1,0,0,0,0,0|2,0,1]=4 68 B4R0.2 CCOC=O MC41912 [1,0,0,0,0,0|1,1,1]=4 69 B4R0.2 CCOCC MC41960 [1,0,0,0,0,0|1,0,0]=2 70 B4R0.2 CC[Zn]CC MC10752 [1,0,0,0,0,0|1,0,0]=2 71 B4R0.2 CNCC#N CS19888 [1,0,0,0,0,0|2,0,1]=4 72 B4R0.2 CNCCO CS20910 [1,0,0,0,0,0|1,1,0]=3 73 B4R0.2 COCC#N MC40783 [1,0,0,0,0,0|2,0,1]=4 74 B4R0.2 COCCCl MC428007 [1,0,0,0,0,0|2,0,0]=3 75 B4R0.2 ClCCCBr MC41861 [1,0,0,0,0,0|2,0,0]=3 76 B4R0.2 N#CCCBr CS22188 [1,0,0,0,0,0|2,0,1]=4 77 B4R0.2 NCCCBr CS22190 [1,0,0,0,0,0|2,0,0]=3 78 B4R0.2 NCCCS MC428180 [1,0,0,0,0,0|1,0,0]=2 79 B4R0.2 [NH3+]CCCS MC428140 [1,0,0,0,0,0|1,0,0]=2 80 B6R0.1 CCC(C)CCBr MC112369 [0,1,0,0,0,0|2,0,0]=3 81 B6R0.1 CCCC(=O)NN CS22544 [0,1,0,0,0,0|1,1,1]=4 82 B6R0.1 CCCC(C)CBr MC112368 [0,1,0,0,0,0|1,0,0]=2 83 B6R0.1 CCCC(O)CO CS20495 [0,1,0,0,0,0|0,1,0]=2 84 B6R0.1 CCNC(=O)NC MC428152 [0,1,0,0,0,0|1,1,1]=4 85 B6R0.1 CCOC(=O)CBr MC41907 [0,1,0,0,0,0|1,1,1]=4 86 B6R0.1 CCOC(=O)CCl MC41910 [0,1,0,0,0,0|1,1,1]=4 87 B6R0.1 CCOC(=O)CN CS15347 [0,1,0,0,0,0|1,1,1]=4 88 B6R0.1 CCOC(=O)CO CS11386 [0,1,0,0,0,0|1,1,1]=4 89 B6R0.1 CNC(=O)CCN MC112263 [0,1,0,0,0,0|1,1,1]=4 90 B6R0.1 CNCC(=O)OC MC438154 [0,1,0,0,0,0|1,1,1]=4 91 B6R0.1 COC(=O)CCBr CS18993 [0,1,0,0,0,0|1,1,1]=4 92 B6R0.1 COC(=O)CCN CS22266 [0,1,0,0,0,0|1,1,1]=4 93 B6R0.1 N#CCC(O)CCl CS22599 [0,1,0,0,0,0|1,1,1]=4 94 B6R0.1 OC(CBr)CCBr MC107100 [0,1,0,0,0,0|1,1,0]=3 95 B6R0.1 OC(CBr)CCBr MC107101 [0,1,0,0,0,0|1,1,0]=3 96 B6R0.1 OCCC(O)CO MC42234 [0,1,0,0,0,0|1,1,0]=3 97 B6R0.1 [NH3+]CCC(F)C[NH3+] MC112759 [0,1,0,0,0,0|2,0,0]=3 98 B6R0.2 CC(Br)CC(=O)O MC106689 [0,1,0,0,0,0|1,1,1]=4 99 B6R0.2 CC(Br)CC(N)=S MC106193 [0,1,0,0,0,0|1,0,2]=4 100 B6R0.2 CC(C)CB(O)O CS22276 [0,1,0,0,0,0|2,1,0]=4 101 B6R0.2 CC(C)PC(C)C MC444830 [0,1,0,0,0,0|2,0,0]=3 102 B6R0.2 CC(N)CC(=O)O CS19028 [0,1,0,0,0,0|1,1,1]=4 103 B6R0.2 CC(N)CC(=O)O CS20346 [0,1,0,0,0,0|1,1,1]=4 104 B6R0.2 CC(N)CC(=O)O MC439098 [0,1,0,0,0,0|1,1,1]=4 105 B6R0.2 CC(O)CC(=O)O MC426020 [0,1,0,0,0,0|1,1,1]=4 106 B6R0.2 CC(O)CC(=O)O MC426021 [0,1,0,0,0,0|1,1,1]=4 107 B6R0.2 CC(O)CC(=O)[O-] CS20253 [0,1,0,0,0,0|1,1,1]=4 108 B6R0.3 CC(C)C(C)CO MC113312 [0,1,0,0,0,0|2,0,0]=3 109 B6R0.3 CC(C)C(N)CO CS17224 [0,1,0,0,0,0|2,0,0]=3 110 B6R0.3 CC(C)C(N)CO CS22659 [0,1,0,0,0,0|2,0,0]=3 111 B6R0.3 CC(O)C(N)CO MC438221 [0,1,0,0,0,0|1,1,0]=3 112 B6R0.3 CCC(Br)C(=O)O MC426015 [0,1,0,0,0,0|1,1,1]=4 113 B6R0.3 CCC(Cl)C(=O)O MC426016 [0,1,0,0,0,0|1,1,1]=4 114 B6R0.3 CCC(N)B(O)O MC442680 [0,1,0,0,0,0|2,1,0]=4 115 B6R0.3 CCC(N)B(O)O MC442681 [0,1,0,0,0,0|2,1,0]=4 116 B6R0.3 CCC(N)C(=O)O CS13661 [0,1,0,0,0,0|1,1,1]=4 117 B6R0.3 CCC(N)C(=O)O CS14054 [0,1,0,0,0,0|1,1,1]=4 118 B6R0.3 CCC(N)C(=O)O CS14084 [0,1,0,0,0,0|1,1,1]=4 119 B6R0.3 CCC(N)C(N)=O CS15891 [0,1,0,0,0,0|1,1,1]=4 120 B6R0.3 CCC(N)C(N)=O MC436006 [0,1,0,0,0,0|1,1,1]=4 121 B6R0.3 CNC(=O)C(C)N MC436151 [0,1,0,0,0,0|2,0,1]=4 122 B6R0.3 COC(=O)C(C)Br CS14958 [0,1,0,0,0,0|2,0,1]=4 123 B6R0.3 COC(=O)C(C)C MC41931 [0,1,0,0,0,0|2,0,1]=4 124 B6R0.3 COC(=O)C(C)Cl CS15798 [0,1,0,0,0,0|2,0,1]=4 125 B6R0.3 COC(=O)C(C)N CS14901 [0,1,0,0,0,0|2,0,1]=4 126 B6R0.3 COC(=O)C(C)N CS16663 [0,1,0,0,0,0|2,0,1]=4 127 B6R0.3 COC(=O)C(C)N CS22242 [0,1,0,0,0,0|2,0,1]=4 128 B6R0.3 COC(=O)C(C)O MC20343 [0,1,0,0,0,0|1,1,1]=4 129 B6R0.4 CC(=O)CCCBr CS10305 [0,1,0,0,0,0|0,1,1]=3 130 B6R0.4 CC(=O)CCCCl CS10334 [0,1,0,0,0,0|0,1,1]=3 131 B6R0.4 CC(=O)NCCCl MC33011 [0,1,0,0,0,0|1,1,1]=4 132 B6R0.4 CC(C)CCC=O MC428026 [0,1,0,0,0,0|1,0,1]=3 133 B6R0.4 CC(C)CCCO MC428025 [0,1,0,0,0,0|1,0,0]=2 134 B6R0.4 CC(C)NCCN MC20461 [0,1,0,0,0,0|2,0,0]=3 135 B6R0.4 CCCCC(=O)Cl MC40508 [0,1,0,0,0,0|1,1,1]=4 136 B6R0.4 CN(C)CCCBr CS22184 [0,1,0,0,0,0|2,0,0]=3 137 B6R0.4 CN(C)CCCCl CS13505 [0,1,0,0,0,0|2,0,0]=3 138 B6R0.4 CN(C)CCCCl CS14943 [0,1,0,0,0,0|2,0,0]=3 139 B6R0.4 CNCCN(C)C CS11723 [0,1,0,0,0,0|2,0,0]=3 140 B6R0.4 CNCCN(C)C CS15131 [0,1,0,0,0,0|2,0,0]=3 141 B6R0.4 NCCCC(=O)O CS14998 [0,1,0,0,0,0|1,1,1]=4 142 B6R0.4 NCCCC(N)=O MC112262 [0,1,0,0,0,0|1,1,1]=4 143 B6R0.4 O=C(Cl)CCCCl MC40450 [0,1,0,0,0,0|1,1,1]=4 144 B6R0.4 O=C(O)CCCBr CS14053 [0,1,0,0,0,0|1,1,1]=4 145 B6R0.5 CC(C)(C)CC=O MC20142 [0,1,0,0,0,0|2,0,1]=4 146 B6R0.5 CC(C)(C)CCO CS21905 [0,1,0,0,0,0|2,0,0]=3 147 B6R0.5 CC(C)(F)CCN MC116087 [0,1,0,0,0,0|2,0,0]=3 148 B6R0.5 CC(C)(O)CCBr CS15788 [0,1,0,0,0,0|1,1,0]=3 149 B6R0.5 CC(C)(O)CON MC427561 [0,1,0,0,0,0|2,1,0]=4 150 B6R0.5 CCCS(=O)(=O)Cl MC20992 [0,1,0,0,0,0|2,1,0]=4 151 B6R0.5 CCCS(=O)(=O)O MC32073 [0,1,0,0,0,0|2,1,0]=4 152 B6R0.5 CCCS(=O)(=O)[O-] MC32074 [0,1,0,0,0,0|2,1,0]=4 153 B6R0.5 CCCS(N)(=O)=O MC32075 [0,1,0,0,0,0|2,1,0]=4 154 B6R0.5 CCOS(C)(=O)=O MC445528 [0,1,0,0,0,0|2,1,0]=4 155 B6R0.5 CS(=O)(=O)CCN CS21301 [0,1,0,0,0,0|2,1,0]=4 156 B6R0.5 FC(F)(F)CCI MC20958 [0,1,0,0,0,0|3,0,0]=4 157 B6R0.5 NCCC(F)(F)F CS14596 [0,1,0,0,0,0|3,0,0]=4 158 B6R1.2 BrC1CCNC1 CS15742 [0,0,0,1,0,0|2,0,0]=3 159 B6R1.2 BrC1CCOC1 CS14643 [0,0,0,1,0,0|2,0,0]=3 160 B6R1.2 CC1=NCCC1 CS21664 [0,0,0,1,0,0|1,0,1]=3 161 B6R1.2 CC1CCCN1 CS18299 [0,0,0,1,0,0|1,0,0]=2 162 B6R1.2 CC1CCCN1 CS18800 [0,0,0,1,0,0|1,0,0]=2 163 B6R1.2 CC1CCCN1 CS19735 [0,0,0,1,0,0|1,0,0]=2 164 B6R1.2 CC1CCCN1 CS21699 [0,0,0,1,0,0|1,0,0]=2 165 B6R1.2 CC1CCCN1 CS21700 [0,0,0,1,0,0|1,0,0]=2 166 B6R1.2 CC1CCCN1 MC428345 [0,0,0,1,0,0|1,0,0]=2 167 B6R1.2 CC1CCCO1 MC20580 [0,0,0,1,0,0|0,1,0]=2 168 B6R1.2 FC1CCNC1 CS12894 [0,0,0,1,0,0|2,0,0]=3 169 B6R1.2 FC1CCNC1 CS14870 [0,0,0,1,0,0|2,0,0]=3 170 B6R1.2 FC1CCNC1 MC31003 [0,0,0,1,0,0|2,0,0]=3 171 B6R1.2 IC1CCOC1 MC101926 [0,0,0,1,0,0|2,0,0]=3 172 B6R1.2 NC1=NCCC1 CS19310 [0,0,0,1,0,0|2,0,1]=4 173 B6R1.2 NC1CC=CC1 CS19415 [0,0,0,1,0,0|1,0,2]=4 174 B6R1.2 NC1CCOC1 CS12010 [0,0,0,1,0,0|2,0,0]=3 175 B6R1.2 NC1CCOC1 CS13003 [0,0,0,1,0,0|2,0,0]=3 176 B6R1.2 NC1CCOC1 CS20366 [0,0,0,1,0,0|2,0,0]=3 177 B6R1.2 NC1CCOC1 MC443324 [0,0,0,1,0,0|2,0,0]=3 178 B6R1.2 NC1CCOC1 MC444237 [0,0,0,1,0,0|2,0,0]=3 179 B6R1.2 O=C1CCCC1 MC21085 [0,0,0,1,0,0|0,1,1]=3 180 B6R1.2 O=C1CCNC1 CS22412 [0,0,0,1,0,0|1,1,1]=4 181 B6R1.2 O=C1CCOC1 CS18178 [0,0,0,1,0,0|1,1,1]=4 182 B6R1.2 O=C1CCSC1 MC20305 [0,0,0,1,0,0|1,1,1]=4 183 B6R1.2 O=C1NCCS1 CS20525 [0,0,0,1,0,0|2,0,1]=4 184 B6R1.2 OC1CC=CC1 MC10342 [0,0,0,1,0,0|0,1,2]=4 185 B6R1.2 OC1CCNC1 CS16166 [0,0,0,1,0,0|1,1,0]=3 186 B6R1.2 OC1CCNC1 CS16635 [0,0,0,1,0,0|1,1,0]=3 187 B6R1.2 OC1CCNC1 CS16650 [0,0,0,1,0,0|1,1,0]=3 188 B6R1.2 OC1CCNC1 CS17407 [0,0,0,1,0,0|1,1,0]=3 189 B6R1.2 OC1CCNC1 CS21757 [0,0,0,1,0,0|1,1,0]=3 190 B6R1.2 OC1CCOC1 CS20284 [0,0,0,1,0,0|1,1,0]=3 191 B6R1.2 OC1CCOC1 MC42235 [0,0,0,1,0,0|1,1,0]=3 192 B6R1.2 OC1CCOC1 MC444279 [0,0,0,1,0,0|1,1,0]=3 193 B6R1.3 N#CCC1CC1 MC433947 [0,0,0,1,0,0|2,0,1]=4 194 B6R1.3 NCCC1CC1 MC425320 [0,0,0,1,0,0|2,0,0]=3 195 B6R1.3 NCCN1CC1 MC100405 [0,0,0,1,0,0|3,0,0]=4 196 B6R1.3 NOCC1CC1 MC107884 [0,0,0,1,0,0|3,0,0]=4 197 B6R1.3 OCCC1CC1 MC433884 [0,0,0,1,0,0|2,0,0]=3 198 B6R1.5 CC1CC(N)C1 MC105778 [0,0,0,1,0,0|1,0,0]=2 199 B6R1.5 CN1CC(N)C1 MC444125 [0,0,0,1,0,0|2,0,0]=3 200 B6R1.5 CN1CC(O)C1 MC444271 [0,0,0,1,0,0|1,1,0]=3 201 B6R1.5 CN1CC(O)C1 MC444272 [0,0,0,1,0,0|1,1,0]=3 202 B6R1.5 NC1CC(=O)C1 MC444232 [0,0,0,1,0,0|1,1,1]=4 203 B6R1.5 NC1CC(F)C1 MC101921 [0,0,0,1,0,0|2,0,0]=3 204 B6R1.5 NC1CC(F)C1 MC104866 [0,0,0,1,0,0|2,0,0]=3 205 B6R1.5 NC1CC(F)C1 MC104867 [0,0,0,1,0,0|2,0,0]=3 206 B6R1.5 NC1CC(F)C1 MC112996 [0,0,0,1,0,0|2,0,0]=3 207 B6R1.5 NC1CC(F)C1 MC115644 [0,0,0,1,0,0|2,0,0]=3 208 B6R1.5 NC1CC(F)C1 MC444599 [0,0,0,1,0,0|2,0,0]=3 209 B6R1.5 NC1CC(N)C1 MC103595 [0,0,0,1,0,0|2,0,0]=3 210 B6R1.5 NC1CC(N)C1 MC103596 [0,0,0,1,0,0|2,0,0]=3 211 B6R1.5 NC1CC(N)C1 MC103597 [0,0,0,1,0,0|2,0,0]=3 212 B6R1.5 NC1CC(N)C1 MC103598 [0,0,0,1,0,0|2,0,0]=3 213 B6R1.5 NC1CC(N)C1 MC104654 [0,0,0,1,0,0|2,0,0]=3 214 B6R1.5 NC1CC(O)C1 MC105248 [0,0,0,1,0,0|1,1,0]=3 215 B6R1.5 NC1CC(O)C1 MC105286 [0,0,0,1,0,0|1,1,0]=3 216 B6R1.5 NC1CC(O)C1 MC444231 [0,0,0,1,0,0|1,1,0]=3 217 B6R1.5 NC1CC(O)C1 MC444480 [0,0,0,1,0,0|1,1,0]=3 218 B6R1.5 NC1CC(O)C1 MC444598 [0,0,0,1,0,0|1,1,0]=3 219 B6R1.5 O=C1CC(F)C1 MC104154 [0,0,0,1,0,0|1,1,1]=4 220 B6R1.5 OC1CC(F)C1 MC103711 [0,0,0,1,0,0|1,1,0]=3 221 B6R1.5 OC1CC(F)C1 MC104375 [0,0,0,1,0,0|1,1,0]=3 222 B6R1.5 OC1CC(F)C1 MC104868 [0,0,0,1,0,0|1,1,0]=3 223 B6R1.8 N#CC1CC1F MC102844 [0,0,0,1,0,0|2,0,1]=4 224 B6R1.8 N#CC1CC1F MC102845 [0,0,0,1,0,0|2,0,1]=4 225 B6R1.8 OCC1CC1F MC102847 [0,0,0,1,0,0|2,0,0]=3 226 B6R1.8 OCC1CC1F MC102848 [0,0,0,1,0,0|2,0,0]=3 227 B6R1.8 OCC1CC1F MC102849 [0,0,0,1,0,0|2,0,0]=3 228 B6R1.8 OCC1CC1F MC102850 [0,0,0,1,0,0|2,0,0]=3 229 B6R1.9 NC1CC1(F)F MC431141 [0,0,0,1,0,0|3,0,0]=4 230 B6R1.10 CC1(F)CNC1 MC102153 [0,0,0,1,0,0|2,0,0]=3 231 B6R1.10 CC1(N)COC1 CS14859 [0,0,0,1,0,0|2,0,0]=3 232 B6R1.10 CC1(N)COC1 MC444292 [0,0,0,1,0,0|2,0,0]=3 233 B6R1.10 CC1(N)CSC1 MC113158 [0,0,0,1,0,0|2,0,0]=3 234 B6R1.10 CC1(O)CNC1 CS15502 [0,0,0,1,0,0|1,1,0]=3 235 B6R1.10 FC1(F)CNC1 CS21899 [0,0,0,1,0,0|3,0,0]=4 236 B6R1.11 CC(I)C1CC1 MC429998 [0,0,0,1,0,0|1,0,0]=2 237 B6R1.11 CC(N)C1CC1 MC428207 [0,0,0,1,0,0|1,0,0]=2 238 B6R1.11 N=C(N)C1CC1 CS16535 [0,0,0,1,0,0|2,0,1]=4 239 B6R1.11 NC(=O)C1CC1 CS16456 [0,0,0,1,0,0|1,1,1]=4 240 B6R1.11 NC(=S)C1CC1 MC21067 [0,0,0,1,0,0|1,0,2]=4 241 B6R1.11 O=C(Cl)C1CC1 MC434039 [0,0,0,1,0,0|1,1,1]=4 242 B6R1.11 O=C(O)C1CC1 CS13839 [0,0,0,1,0,0|1,1,1]=4 243 B6R1.11 OB(O)C1CC1 MC20194 [0,0,0,1,0,0|2,1,0]=4 244 B3R0.1 BrCCBr MC41884 [2,0,0,0,0,0|2,0,0]=4 245 B3R0.1 CCC#N MC41959 [2,0,0,0,0,0|1,0,1]=4 246 B3R0.1 CCON CS11314 [2,0,0,0,0,0|2,0,0]=4 247 B3R0.1 CC[Zn]Br MC116063 [2,0,0,0,0,0|2,0,0]=4 248 B3R0.1 CNOC CS13986 [2,0,0,0,0,0|2,0,0]=4 249 B3R0.1 COCCl MC41874 [2,0,0,0,0,0|2,0,0]=4 250 B3R0.1 C\C=C\C MC428373 [2,0,0,0,0,0|0,0,2]=4 251 B3R0.1 FCCBr MC429448 [2,0,0,0,0,0|2,0,0]=4 252 B3R0.1 NCCBr CS14044 [2,0,0,0,0,0|2,0,0]=4 253 B3R0.1 NCCCl CS16188 [2,0,0,0,0,0|2,0,0]=4 254 B3R0.1 NCCF CS21564 [2,0,0,0,0,0|2,0,0]=4 255 B3R0.1 SCCS MC20652 [2,0,0,0,0,0|1,0,0]=3 256 B3R0.2 CC(C)Br MC41864 [2,0,0,0,0,0|1,0,0]=3 257 B3R0.2 C[PH](C)=O MC21075 [2,0,0,0,0,0|1,1,0]=4 258 B5R0.3 CCC(C)[Zn]Br MC121335 [1,1,0,0,0,0|1,0,0]=3 259 B5R0.3 CCC(N)CO CS15119 [1,1,0,0,0,0|1,0,0]=3 260 B5R0.3 CCC(N)CO MC10528 [1,1,0,0,0,0|1,0,0]=3 261 B5R0.3 CCC(N)CO MC20718 [1,1,0,0,0,0|1,0,0]=3 262 B5R0.3 CCC(N)CO MC436159 [1,1,0,0,0,0|1,0,0]=3 263 B5R0.3 CCC(O)CO CS15622 [1,1,0,0,0,0|0,1,0]=3 264 B5R0.3 COC(C)CN CS17733 [1,1,0,0,0,0|1,1,0]=4 265 B5R0.3 COC(C)CO CS12306 [1,1,0,0,0,0|1,1,0]=4 266 B5R0.3 NC(CO)CO CS18352 [1,1,0,0,0,0|2,0,0]=4 267 B5R0.3 NCC(O)CCl MC427329 [1,1,0,0,0,0|1,1,0]=4 268 B5R0.3 NCC(O)CN CS14232 [1,1,0,0,0,0|1,1,0]=4 269 B5R0.3 NCC(O)CO CS14832 [1,1,0,0,0,0|1,1,0]=4 270 B5R0.3 NCC(O)CO CS18397 [1,1,0,0,0,0|1,1,0]=4 271 B5R0.3 NCC(O)CO MC20311 [1,1,0,0,0,0|1,1,0]=4 272 B5R0.3 OC(CCl)CCl MC428012 [1,1,0,0,0,0|1,1,0]=4 273 B5R0.3 OC(CF)CF MC429449 [1,1,0,0,0,0|1,1,0]=4 274 B5R0.3 OCC(O)CCl CS15061 [1,1,0,0,0,0|1,1,0]=4 275 B5R0.3 OCC(O)CCl MC20314 [1,1,0,0,0,0|1,1,0]=4 276 B5R0.4 CC(C)(C)CN CS11775 [1,1,0,0,0,0|2,0,0]=4 277 B5R0.4 CC(C)(F)CO MC429446 [1,1,0,0,0,0|2,0,0]=4 278 B5R0.4 CC(C)(N)CN MC443126 [1,1,0,0,0,0|2,0,0]=4 279 B5R0.4 CC(C)(O)CN CS20593 [1,1,0,0,0,0|1,1,0]=4 280 B5R0.4 CC(C)(S)CN MC434042 [1,1,0,0,0,0|1,0,0]=3 281 B5R0.4 CC(F)(F)CN MC428165 [1,1,0,0,0,0|2,0,0]=4 282 B5R0.4 CC(F)(F)CN MC428166 [1,1,0,0,0,0|2,0,0]=4 283 B5R0.4 CC(F)(F)CO MC429356 [1,1,0,0,0,0|2,0,0]=4 284 B5R0.2 BrCCCCBr MC41885 [1,1,0,0,0,0|1,0,0]=3 285 B5R0.2 CCCCCBr CS20657 [1,1,0,0,0,0|0,0,0]=2 286 B5R0.2 CCCC[Zn]Br MC121334 [1,1,0,0,0,0|1,0,0]=3 287 B5R0.2 CCOCCBr CS21396 [1,1,0,0,0,0|1,0,0]=3 288 B5R0.2 CCOCCCl MC428008 [1,1,0,0,0,0|1,0,0]=3 289 B5R0.2 CNCCC#N CS22369 [1,1,0,0,0,0|1,0,1]=4 290 B5R0.2 CNCCCO CS14200 [1,1,0,0,0,0|0,1,0]=3 291 B5R0.2 CNCCNC CS15116 [1,1,0,0,0,0|1,0,0]=3 292 B5R0.2 CNCCOC MC427349 [1,1,0,0,0,0|1,0,0]=3 293 B5R0.2 COCCC#N CS22345 [1,1,0,0,0,0|1,0,1]=4 294 B5R0.2 COCCCBr CS20649 [1,1,0,0,0,0|1,0,0]=3 295 B5R0.2 COCCCO CS20039 [1,1,0,0,0,0|0,1,0]=3 296 B5R0.2 COCCNN MC103229 [1,1,0,0,0,0|2,0,0]=4 297 B5R0.2 COCCNN MC107041 [1,1,0,0,0,0|2,0,0]=4 298 B5R0.2 COCCOC MC41899 [1,1,0,0,0,0|1,0,0]=3 299 B5R0.2 COCCOC MC445008 [1,1,0,0,0,0|1,0,0]=3 300 B5R0.2 N#CCCCBr MC433750 [1,1,0,0,0,0|1,0,1]=4 301 B5R0.2 NCCCCBr CS14979 [1,1,0,0,0,0|1,0,0]=3 302 B5R0.2 NCCCCN CS19906 [1,1,0,0,0,0|1,0,0]=3 303 B7R0.2 CC(C)CC(N)CO CS14853 [0,2,0,0,0,0|1,0,0]=3 304 B7R0.2 CC(C)CC(N)CO CS19307 [0,2,0,0,0,0|1,0,0]=3 305 B7R0.2 CCC(=O)CC(C)=O CS21124 [0,2,0,0,0,0|0,1,1]=4 306 B7R0.2 CN(C)CC(O)CO CS15349 [0,2,0,0,0,0|1,1,0]=4 307 B7R0.2 COC(=O)CC(C)O CS11584 [0,2,0,0,0,0|0,1,1]=4 308 B7R0.3 C=CCCC(O)CCl MC114485 [0,2,0,0,0,0|0,1,1]=4 309 B7R0.3 CCC(O)CCCO MC116029 [0,2,0,0,0,0|0,1,0]=3 310 B7R0.3 COC(=O)CCCBr MC427387 [0,2,0,0,0,0|0,1,1]=4 311 B7R0.3 COC(=O)CCCN MC439309 [0,2,0,0,0,0|0,1,1]=4 312 B7R0.3 CSCCC(N)CO MC437961 [0,2,0,0,0,0|1,0,0]=3 313 B7R0.5 CCCC(N)C(=O)O CS10518 [0,2,0,0,0,0|1,0,1]=4 314 B7R0.5 CCCC(N)C(=O)O CS17028 [0,2,0,0,0,0|1,0,1]=4 315 B7R0.5 CCCC(N)C(=O)O MC439125 [0,2,0,0,0,0|1,0,1]=4 316 B7R0.5 CCCC(N)C(N)=O MC438024 [0,2,0,0,0,0|1,0,1]=4 317 B7R0.5 CCOC(=O)C(C)C CS11388 [0,2,0,0,0,0|1,0,1]=4 318 B7R0.5 CCOC(=O)C(C)F MC439605 [0,2,0,0,0,0|1,0,1]=4 319 B7R0.5 CCOC(=O)C(C)N CS15404 [0,2,0,0,0,0|1,0,1]=4 320 B7R0.5 CCOC(=O)C(C)N MC436160 [0,2,0,0,0,0|1,0,1]=4 321 B7R0.5 CCOC(=O)C(C)O CS20075 [0,2,0,0,0,0|0,1,1]=4 322 B7R0.7 CCCC(N)CCO CS16692 [0,2,0,0,0,0|1,0,0]=3 323 B7R0.7 COCC(N)COC CS21215 [0,2,0,0,0,0|2,0,0]=4 324 B7R0.10 CCC(Br)C(=O)OC CS14136 [0,2,0,0,0,0|0,1,1]=4 325 B7R0.10 CCC(C)C(N)CO CS18903 [0,2,0,0,0,0|1,0,0]=3 326 B7R0.10 CCC(C)C(N)CO MC437812 [0,2,0,0,0,0|1,0,0]=3 327 B7R0.10 CCC(N)C(=O)OC MC436010 [0,2,0,0,0,0|0,1,1]=4 328 B7R0.10 OC(CS)C(O)CS MC436992 [0,2,0,0,0,0|1,1,0]=4 329 B7R0.10 OC(CS)C(O)CS MC436993 [0,2,0,0,0,0|1,1,0]=4 330 B7R0.11 COCC(C)(C)CN MC418388 [0,2,0,0,0,0|2,0,0]=4 331 B7R0.11 COCC(C)(C)CN MC431431 [0,2,0,0,0,0|2,0,0]=4 332 B7R0.12 COC(CSC)OC MC10796 [0,2,0,0,0,0|1,1,0]=4 333 B7R0.9 CC(O)CC(C)(C)O MC428277 [0,2,0,0,0,0|0,1,0]=3 334 B7R0.9 CN(C)CC(C)(C)O MC41894 [0,2,0,0,0,0|1,1,0]=4 335 B7R0.16 CC(C)C(N)C(C)C CS17730 [0,2,0,0,0,0|1,0,0]=3 336 B7R0.14 CC(C)(C)C(N)CO MC439423 [0,2,0,0,0,0|2,0,0]=4 337 B7R0.14 CC(C)(C)C(N)CO MC439424 [0,2,0,0,0,0|2,0,0]=4 338 B7R0.15 CCC(CC)C(C)=O MC425625 [0,2,0,0,0,0|0,1,1]=4 339 B7R0.4 CC(=O)CCCCBr CS10627 [0,2,0,0,0,0|0,1,1]=4 340 B7R0.4 CC(O)CCCCO MC112436 [0,2,0,0,0,0|0,1,0]=3 341 B7R0.4 CCCCCC(C)O CS21570 [0,2,0,0,0,0|0,1,0]=3 342 B7R0.4 CCC\C=C\C(C)=O MC20875 [0,2,0,0,0,0|0,1,1]=4 343 B7R0.4 CN(C)CCCCO CS22813 [0,2,0,0,0,0|2,0,0]=4 344 B7R0.4 COCCCC(C)N MC112163 [0,2,0,0,0,0|1,0,0]=3 345 B7R0.6 CC(C)CCC(=O)Cl MC20895 [0,2,0,0,0,0|1,0,1]=4 346 B7R0.6 CC(C)CCC(C)N MC446673 [0,2,0,0,0,0|1,0,0]=3 347 B7R0.6 CC(N)CCC(=O)O MC435302 [0,2,0,0,0,0|1,0,1]=4 348 B7R0.6 CN(C)CCN(C)C MC425151 [0,2,0,0,0,0|2,0,0]=4 349 B7R0.6 CN(C)CCN(C)C MC444920 [0,2,0,0,0,0|2,0,0]=4 350 B7R0.8 C[N+](C)(C)CCCBr CS20170 [0,2,0,0,0,0|2,0,0]=4 351 B7R0.8 OCCCC(F)(F)F MC20741 [0,2,0,0,0,0|2,0,0]=4 352 B5R1.2 BrC1CNC1 MC444255 [1,0,0,1,0,0|2,0,0]=4 353 B5R1.2 BrC1COC1 MC425330 [1,0,0,1,0,0|2,0,0]=4 354 B5R1.2 CC1CNC1 CS13089 [1,0,0,1,0,0|2,0,0]=4 355 B5R1.2 ClC1CNC1 MC444320 [1,0,0,1,0,0|2,0,0]=4 356 B5R1.2 FC1CNC1 CS22297 [1,0,0,1,0,0|2,0,0]=4 357 B5R1.2 FC1COC1 MC113065 [1,0,0,1,0,0|2,0,0]=4 358 B5R1.2 IC1CNC1 MC444286 [1,0,0,1,0,0|2,0,0]=4 359 B5R1.2 IC1COC1 MC10503 [1,0,0,1,0,0|2,0,0]=4 360 B5R1.2 NC1COC1 CS22388 [1,0,0,1,0,0|2,0,0]=4 361 B5R1.2 NC1COC1 MC425332 [1,0,0,1,0,0|2,0,0]=4 362 B5R1.2 NC1CSC1 MC102176 [1,0,0,1,0,0|2,0,0]=4 363 B5R1.2 NC1CSC1 MC115657 [1,0,0,1,0,0|2,0,0]=4 364 B5R1.2 O=C1CCC1 MC10479 [1,0,0,1,0,0|0,1,1]=4 365 B5R1.2 OC1CCC1 CS11176 [1,0,0,1,0,0|0,1,0]=3 366 B5R1.2 OC1CNC1 CS14687 [1,0,0,1,0,0|1,1,0]=4 367 B5R1.2 OC1COC1 CS19329 [1,0,0,1,0,0|1,1,0]=4 368 B5R1.2 SC1COC1 MC101966 [1,0,0,1,0,0|1,0,0]=3 369 B5R1.3 BrCC1CC1 MC10481 [1,0,0,1,0,0|2,0,0]=4 370 B5R1.3 CCC1CO1 MC20699 [1,0,0,1,0,0|0,1,0]=3 371 B5R1.3 CCC1CO1 MC428314 [1,0,0,1,0,0|0,1,0]=3 372 B5R1.3 CNC1CC1 CS13160 [1,0,0,1,0,0|2,0,0]=4 373 B5R1.3 ClCC1CC1 CS19956 [1,0,0,1,0,0|2,0,0]=4 374 B5R1.3 ClCC1CO1 MC20322 [1,0,0,1,0,0|1,1,0]=4 375 B5R1.3 ClCC1CO1 MC41680 [1,0,0,1,0,0|1,1,0]=4 376 B5R1.3 ICC1CO1 MC102795 [1,0,0,1,0,0|1,1,0]=4 377 B5R1.3 NCC1CC1 CS18907 [1,0,0,1,0,0|2,0,0]=4 378 B5R1.3 OCC1CC1 CS19620 [1,0,0,1,0,0|2,0,0]=4 379 B5R1.4 FC1CC1Br MC102831 [1,0,0,1,0,0|2,0,0]=4 380 B5R1.4 NC1CC1F MC102833 [1,0,0,1,0,0|2,0,0]=4 381 B5R1.4 NC1CC1F MC425321 [1,0,0,1,0,0|2,0,0]=4 382 B5R1.5 CC1(C)CO1 MC41673 [1,0,0,1,0,0|2,0,0]=4 383 B5R1.5 CC1(N)CC1 CS15074 [1,0,0,1,0,0|1,0,0]=3 384 B5R1.1 C1CCNC1 MC41708 [1,0,0,1,0,0|1,0,0]=3 385 B5R1.1 C1CNNC1 CS16750 [1,0,0,1,0,0|2,0,0]=4 386 B7R1.1 BrCC1CCCC1 MC20145 [0,1,0,1,0,0|1,0,0]=3 387 B7R1.1 BrCC1CCCN1 MC114648 [0,1,0,1,0,0|1,0,0]=3 388 B7R1.1 BrCC1CCCO1 MC106365 [0,1,0,1,0,0|0,1,0]=3 389 B7R1.1 BrCC1OCCO1 CS21401 [0,1,0,1,0,0|1,1,0]=4 390 B7R1.1 Br[Zn]C1CCCC1 MC121342 [0,1,0,1,0,0|1,0,0]=3 391 B7R1.1 C#CC1CCOC1 MC103679 [0,1,0,1,0,0|2,0,0]=4 392 B7R1.1 CCC1CCCN1 MC110951 [0,1,0,1,0,0|1,0,0]=3 393 B7R1.1 CNC1CCOC1 MC104966 [0,1,0,1,0,0|2,0,0]=4 394 B7R1.1 CNC1CCOC1 MC105597 [0,1,0,1,0,0|2,0,0]=4 395 B7R1.1 COC1=NCCC1 CS10423 [0,1,0,1,0,0|1,0,1]=4 396 B7R1.1 COC1CCCN1 MC41692 [0,1,0,1,0,0|1,0,0]=3 397 B7R1.1 COC1CCNC1 CS12136 [0,1,0,1,0,0|1,1,0]=4 398 B7R1.1 COC1CCNC1 CS12137 [0,1,0,1,0,0|1,1,0]=4 399 B7R1.1 COC1CCNC1 CS22350 [0,1,0,1,0,0|1,1,0]=4 400 B7R1.1 ClCC1OCCO1 MC428002 [0,1,0,1,0,0|1,1,0]=4 401 B7R1.1 FCC1CCCN1 MC100102 [0,1,0,1,0,0|1,0,0]=3 402 B7R1.1 FCC1CCNC1 MC103199 [0,1,0,1,0,0|2,0,0]=4 403 B7R1.1 N#CC1CCCC1 MC433761 [0,1,0,1,0,0|1,0,0]=3 404 B7R1.1 N#CC1CCCN1 MC104069 [0,1,0,1,0,0|1,0,1]=4 405 B7R1.1 N#CC1CCOC1 MC103877 [0,1,0,1,0,0|2,0,0]=4 406 B7R1.1 N#CC1CCOC1 MC103878 [0,1,0,1,0,0|2,0,0]=4 407 B7R1.1 NCC1CCCC1 CS14873 [0,1,0,1,0,0|1,0,0]=3 408 B7R1.1 NCC1CCCN1 CS15469 [0,1,0,1,0,0|1,0,0]=3 409 B7R1.1 NCC1CCCN1 CS15745 [0,1,0,1,0,0|1,0,0]=3 410 B7R1.1 NCC1CCNC1 MC431426 [0,1,0,1,0,0|2,0,0]=4 411 B7R1.1 NCC1CCOC1 MC102307 [0,1,0,1,0,0|2,0,0]=4 412 B7R1.1 NCC1CCOC1 MC103862 [0,1,0,1,0,0|2,0,0]=4 413 B7R1.1 NCC1CCOC1 MC115675 [0,1,0,1,0,0|2,0,0]=4 414 B7R1.1 NCC1CCOC1 MC121256 [0,1,0,1,0,0|2,0,0]=4 415 B7R1.1 O=CC1CCCC1 MC21048 [0,1,0,1,0,0|0,1,0]=3 416 B7R1.1 OCC1CCCC1 CS11185 [0,1,0,1,0,0|0,1,0]=3 417 B7R1.1 OCC1CCCN1 CS17003 [0,1,0,1,0,0|1,0,0]=3 418 B7R1.1 OCC1CCCN1 CS22640 [0,1,0,1,0,0|1,0,0]=3 419 B7R1.1 OCC1CCCO1 MC20392 [0,1,0,1,0,0|0,1,0]=3 420 B7R1.1 OCC1CCNC1 CS11284 [0,1,0,1,0,0|1,1,0]=4 421 B7R1.1 OCC1CCNC1 CS16764 [0,1,0,1,0,0|1,1,0]=4 422 B7R1.1 OCC1CCNC1 CS18341 [0,1,0,1,0,0|1,1,0]=4 423 B7R1.1 OCC1CCNC1 MC102405 [0,1,0,1,0,0|1,1,0]=4 424 B7R1.1 OCC1CCNC1 MC115660 [0,1,0,1,0,0|1,1,0]=4 425 B7R1.1 OCC1CCOC1 MC113000 [0,1,0,1,0,0|1,1,0]=4 426 B7R1.1 OCC1CCOC1 MC113001 [0,1,0,1,0,0|1,1,0]=4 427 B7R1.1 OCC1CCOC1 MC427704 [0,1,0,1,0,0|1,1,0]=4 428 B7R1.2 CC1=NC(C)CO1 MC428186 [0,1,0,1,0,0|1,0,1]=4 429 B7R1.2 CC1CCC(C)N1 MC102818 [0,1,0,1,0,0|1,0,0]=3 430 B7R1.2 CN1CCC(=O)C1 CS20760 [0,1,0,1,0,0|0,1,1]=4 431 B7R1.2 CN1CCC(N)C1 MC444033 [0,1,0,1,0,0|1,0,0]=3 432 B7R1.2 CN1CCC(N)C1 MC444055 [0,1,0,1,0,0|1,0,0]=3 433 B7R1.2 CN1CCC(N)C1 MC444130 [0,1,0,1,0,0|1,0,0]=3 434 B7R1.2 CN1CCC(O)C1 MC20690 [0,1,0,1,0,0|0,1,0]=3 435 B7R1.2 CN1CCC(O)C1 MC444062 [0,1,0,1,0,0|0,1,0]=3 436 B7R1.2 CN1CCC(O)C1 MC444273 [0,1,0,1,0,0|0,1,0]=3 437 B7R1.2 NC1CCC(O)C1 CS12946 [0,1,0,1,0,0|0,1,0]=3 438 B7R1.2 NC1CCC(O)C1 CS14798 [0,1,0,1,0,0|0,1,0]=3 439 B7R1.2 NC1CCC(O)C1 CS15869 [0,1,0,1,0,0|0,1,0]=3 440 B7R1.2 NC1CCC(O)C1 CS16172 [0,1,0,1,0,0|0,1,0]=3 441 B7R1.2 O=C1CCC(I)C1 MC115016 [0,1,0,1,0,0|0,1,1]=4 442 B7R1.3 BrC1CCCCC1 CS11079 [0,1,0,1,0,0|1,0,0]=3 443 B7R1.3 BrC1CCNCC1 CS18356 [0,1,0,1,0,0|1,0,0]=3 444 B7R1.3 BrC1CCOCC1 CS18193 [0,1,0,1,0,0|1,0,0]=3 445 B7R1.3 CC1CCCCN1 MC20418 [0,1,0,1,0,0|1,0,0]=3 446 B7R1.3 CC1CCCNC1 CS16133 [0,1,0,1,0,0|1,0,0]=3 447 B7R1.3 CC1CCCNC1 MC425227 [0,1,0,1,0,0|1,0,0]=3 448 B7R1.3 CC1CNCCN1 CS13503 [0,1,0,1,0,0|1,0,0]=3 449 B7R1.3 CC1CNCCN1 CS17164 [0,1,0,1,0,0|1,0,0]=3 450 B7R1.3 CC1CNCCN1 CS17167 [0,1,0,1,0,0|1,0,0]=3 451 B7R1.3 CC1CNCCO1 CS14515 [0,1,0,1,0,0|0,1,0]=3 452 B7R1.3 CC1CNCCO1 CS14521 [0,1,0,1,0,0|0,1,0]=3 453 B7R1.3 CC1CNCCO1 CS19299 [0,1,0,1,0,0|0,1,0]=3 454 B7R1.3 CC1CNCCO1 CS21692 [0,1,0,1,0,0|0,1,0]=3 455 B7R1.3 CC1CNCCO1 MC444038 [0,1,0,1,0,0|0,1,0]=3 456 B7R1.3 CC1CNCCO1 MC444192 [0,1,0,1,0,0|0,1,0]=3 457 B7R1.3 CC1COCCN1 CS14856 [0,1,0,1,0,0|1,0,0]=3 458 B7R1.3 CC1COCCN1 CS20285 [0,1,0,1,0,0|1,0,0]=3 459 B7R1.3 CC1COCCN1 CS22371 [0,1,0,1,0,0|1,0,0]=3 460 B7R1.3 CC1COCCN1 CS22413 [0,1,0,1,0,0|1,0,0]=3 461 B7R1.3 CC1COCCN1 MC20820 [0,1,0,1,0,0|1,0,0]=3 462 B7R1.3 CN1CCNCC1 MC20458 [0,1,0,1,0,0|2,0,0]=4 463 B7R1.3 ClC1CCNCC1 CS16938 [0,1,0,1,0,0|1,0,0]=3 464 B7R1.3 FC1CCCNC1 MC101908 [0,1,0,1,0,0|1,0,0]=3 465 B7R1.3 FC1CCCNC1 MC101918 [0,1,0,1,0,0|1,0,0]=3 466 B7R1.3 FC1CCCNC1 MC444270 [0,1,0,1,0,0|1,0,0]=3 467 B7R1.3 FC1CCNCC1 CS22845 [0,1,0,1,0,0|1,0,0]=3 468 B7R1.3 IC1CCOCC1 CS18194 [0,1,0,1,0,0|1,0,0]=3 469 B7R1.3 NC1CCCNC1 CS17178 [0,1,0,1,0,0|1,0,0]=3 470 B7R1.3 NC1CCCNC1 CS17182 [0,1,0,1,0,0|1,0,0]=3 471 B7R1.3 NC1CCCNC1 CS22655 [0,1,0,1,0,0|1,0,0]=3 472 B7R1.3 NC1CCOCC1 CS16997 [0,1,0,1,0,0|1,0,0]=3 473 B7R1.3 NC1CCOCC1 CS18985 [0,1,0,1,0,0|1,0,0]=3 474 B7R1.3 O=C1CCCCN1 MC429045 [0,1,0,1,0,0|0,1,1]=4 475 B7R1.3 O=C1CCCCO1 CS11208 [0,1,0,1,0,0|0,1,1]=4 476 B7R1.3 O=C1CCCNC1 CS14768 [0,1,0,1,0,0|0,1,1]=4 477 B7R1.3 O=C1CCCNC1 CS17767 [0,1,0,1,0,0|0,1,1]=4 478 B7R1.3 O=C1CCCOC1 MC31097 [0,1,0,1,0,0|0,1,1]=4 479 B7R1.3 O=C1CCNCC1 CS22790 [0,1,0,1,0,0|0,1,1]=4 480 B7R1.3 O=C1CCOCC1 CS13380 [0,1,0,1,0,0|0,1,1]=4 481 B7R1.3 O=C1CCSCC1 CS18797 [0,1,0,1,0,0|0,1,1]=4 482 B7R1.3 OC1CCCNC1 CS17016 [0,1,0,1,0,0|0,1,0]=3 483 B7R1.3 OC1CCCNC1 CS17020 [0,1,0,1,0,0|0,1,0]=3 484 B7R1.3 OC1CCCNC1 CS22642 [0,1,0,1,0,0|0,1,0]=3 485 B7R1.3 OC1CCCOC1 CS17782 [0,1,0,1,0,0|0,1,0]=3 486 B7R1.3 OC1CCNCC1 CS14900 [0,1,0,1,0,0|0,1,0]=3 487 B7R1.3 OC1CCNCC1 CS22643 [0,1,0,1,0,0|0,1,0]=3 488 B7R1.3 OC1CCOCC1 CS13929 [0,1,0,1,0,0|0,1,0]=3 489 B7R1.3 OC1CCSCC1 CS12012 [0,1,0,1,0,0|0,1,0]=3 490 B7R1.3 SC1CCCNC1 MC105166 [0,1,0,1,0,0|0,0,0]=2 491 B7R1.3 SC1CCOCC1 MC107026 [0,1,0,1,0,0|0,0,0]=2 492 B7R1.4 CC1COCC1N MC444024 [0,1,0,1,0,0|2,0,0]=4 493 B7R1.4 CC1OCCC1=O CS14135 [0,1,0,1,0,0|0,1,1]=4 494 B7R1.4 CN1CCCC1=O MC41699 [0,1,0,1,0,0|0,1,1]=4 495 B7R1.4 NC1CCCC1O CS11147 [0,1,0,1,0,0|0,1,0]=3 496 B7R1.4 NC1CCCC1O CS15594 [0,1,0,1,0,0|0,1,0]=3 497 B7R1.4 NC1CCCC1O CS18884 [0,1,0,1,0,0|0,1,0]=3 498 B7R1.4 NC1CCCC1O CS19404 [0,1,0,1,0,0|0,1,0]=3 499 B7R1.4 NC1CCSC1=O MC428331 [0,1,0,1,0,0|1,0,1]=4 500 B7R1.4 NC1COCC1N MC101979 [0,1,0,1,0,0|2,0,0]=4 501 B7R1.4 NC1COCC1N MC101980 [0,1,0,1,0,0|2,0,0]=4 502 B7R1.4 NC1COCC1N MC103863 [0,1,0,1,0,0|2,0,0]=4 503 B7R1.4 NC1COCC1N MC113515 [0,1,0,1,0,0|2,0,0]=4 504 B7R1.4 NC1COCC1N MC444023 [0,1,0,1,0,0|2,0,0]=4 505 B7R1.4 NC1COCC1O MC105386 [0,1,0,1,0,0|1,1,0]=4 506 B7R1.4 NC1COCC1O MC105387 [0,1,0,1,0,0|1,1,0]=4 507 B7R1.4 NC1COCC1O MC431325 [0,1,0,1,0,0|1,1,0]=4 508 B7R1.4 O=C1CCCC1Br MC445112 [0,1,0,1,0,0|0,1,1]=4 509 B7R1.4 OC1CNCC1O CS20186 [0,1,0,1,0,0|1,1,0]=4 510 B7R1.4 OC1CNCC1O MC103857 [0,1,0,1,0,0|1,1,0]=4 511 B7R1.6 COCC1CCN1 MC103809 [0,1,0,1,0,0|2,0,0]=4 512 B7R1.6 COCC1CCN1 MC103810 [0,1,0,1,0,0|2,0,0]=4 513 B7R1.6 COCC1CNC1 MC444220 [0,1,0,1,0,0|2,0,0]=4 514 B7R1.10 CCN1CC(N)C1 MC103459 [0,1,0,1,0,0|1,0,0]=3 515 B7R1.10 CCN1CC(O)C1 MC444112 [0,1,0,1,0,0|0,1,0]=3 516 B7R1.10 CN1CC(CBr)C1 MC106288 [0,1,0,1,0,0|2,0,0]=4 517 B7R1.10 CNC1CC(O)C1 MC104910 [0,1,0,1,0,0|0,1,0]=3 518 B7R1.10 CNC1CC(O)C1 MC444221 [0,1,0,1,0,0|0,1,0]=3 519 B7R1.10 CNC1CN(C)C1 MC103651 [0,1,0,1,0,0|2,0,0]=4 520 B7R1.10 COC1CC(N)C1 MC102191 [0,1,0,1,0,0|1,0,0]=3 521 B7R1.10 COC1CC(N)C1 MC102192 [0,1,0,1,0,0|1,0,0]=3 522 B7R1.10 COC1CC(N)C1 MC105249 [0,1,0,1,0,0|1,0,0]=3 523 B7R1.10 COC1CC(N)C1 MC105250 [0,1,0,1,0,0|1,0,0]=3 524 B7R1.10 COC1CC(N)C1 MC112995 [0,1,0,1,0,0|1,0,0]=3 525 B7R1.10 COC1CC(N)C1 MC444289 [0,1,0,1,0,0|1,0,0]=3 526 B7R1.10 N#CC1CC(N)C1 MC103407 [0,1,0,1,0,0|1,0,1]=4 527 B7R1.10 NC1CC(CO)C1 MC101938 [0,1,0,1,0,0|1,0,0]=3 528 B7R1.10 NC1CC(CO)C1 MC101939 [0,1,0,1,0,0|1,0,0]=3 529 B7R1.10 NC1CC(CO)C1 MC103939 [0,1,0,1,0,0|1,0,0]=3 530 B7R1.10 NC1CC(CO)C1 MC104003 [0,1,0,1,0,0|1,0,0]=3 531 B7R1.10 NC1CC(CO)C1 MC104004 [0,1,0,1,0,0|1,0,0]=3 532 B7R1.10 NC1CC(CO)C1 MC112994 [0,1,0,1,0,0|1,0,0]=3 533 B7R1.10 NCC1CC(=O)C1 MC444212 [0,1,0,1,0,0|0,1,1]=4 534 B7R1.10 NCC1CC(F)C1 MC103708 [0,1,0,1,0,0|1,0,0]=3 535 B7R1.10 NCC1CC(F)C1 MC104711 [0,1,0,1,0,0|1,0,0]=3 536 B7R1.10 NCC1CC(F)C1 MC444589 [0,1,0,1,0,0|1,0,0]=3 537 B7R1.10 NCC1CC(O)C1 MC101920 [0,1,0,1,0,0|0,1,0]=3 538 B7R1.10 NCC1CC(O)C1 MC101929 [0,1,0,1,0,0|0,1,0]=3 539 B7R1.10 NCC1CC(O)C1 MC103940 [0,1,0,1,0,0|0,1,0]=3 540 B7R1.10 NCC1CC(O)C1 MC113027 [0,1,0,1,0,0|0,1,0]=3 541 B7R1.10 NCC1CC(O)C1 MC115656 [0,1,0,1,0,0|0,1,0]=3 542 B7R1.10 O=C1CC(CO)C1 MC113039 [0,1,0,1,0,0|0,1,1]=4 543 B7R1.21 CCOC1(O)CC1 CS16017 [0,1,0,1,0,0|1,1,0]=4 544 B7R1.22 COC(=O)C1CC1 MC41839 [0,1,0,1,0,0|0,1,1]=4 545 B7R1.22 O=C(CBr)C1CC1 MC433212 [0,1,0,1,0,0|0,1,1]=4 546 B7R1.25 C#CC1(C)COC1 MC115770 [0,1,0,1,0,0|2,0,0]=4 547 B7R1.25 CC1(C#N)CNC1 MC102403 [0,1,0,1,0,0|2,0,0]=4 548 B7R1.25 CC1(C#N)COC1 MC115746 [0,1,0,1,0,0|2,0,0]=4 549 B7R1.25 CC1(C=O)COC1 MC444293 [0,1,0,1,0,0|1,1,0]=4 550 B7R1.25 CC1(CBr)COC1 CS22179 [0,1,0,1,0,0|2,0,0]=4 551 B7R1.25 CC1(CN)CCC1 MC104689 [0,1,0,1,0,0|1,0,0]=3 552 B7R1.25 CC1(CN)CCC1 MC121097 [0,1,0,1,0,0|1,0,0]=3 553 B7R1.25 CC1(CN)CNC1 MC102409 [0,1,0,1,0,0|2,0,0]=4 554 B7R1.25 CC1(CN)COC1 CS22390 [0,1,0,1,0,0|2,0,0]=4 555 B7R1.25 CC1(CO)CCO1 MC102954 [0,1,0,1,0,0|1,1,0]=4 556 B7R1.25 CC1(CO)COC1 CS16968 [0,1,0,1,0,0|1,1,0]=4 557 B7R1.25 CC1(CO)CSC1 MC121099 [0,1,0,1,0,0|1,1,0]=4 558 B7R1.25 CC1(CS)COC1 MC115780 [0,1,0,1,0,0|1,0,0]=3 559 B7R1.25 CCC1(N)CNC1 MC105492 [0,1,0,1,0,0|2,0,0]=4 560 B7R1.25 CCC1(N)COC1 MC102900 [0,1,0,1,0,0|2,0,0]=4 561 B7R1.25 CCC1(O)CNC1 MC444268 [0,1,0,1,0,0|1,1,0]=4 562 B7R1.25 CNC1(C)COC1 MC115767 [0,1,0,1,0,0|2,0,0]=4 563 B7R1.25 COC1(C)CNC1 MC112993 [0,1,0,1,0,0|1,1,0]=4 564 B7R1.25 FC1(CBr)COC1 MC113194 [0,1,0,1,0,0|2,0,0]=4 565 B7R1.25 FC1(CI)COC1 MC102471 [0,1,0,1,0,0|2,0,0]=4 566 B7R1.25 NC1(CO)COC1 MC102014 [0,1,0,1,0,0|2,0,0]=4 567 B7R1.25 NCC1(F)COC1 MC102450 [0,1,0,1,0,0|2,0,0]=4 568 B7R1.25 NCC1(N)CCC1 CS17914 [0,1,0,1,0,0|1,0,0]=3 569 B7R1.25 NCC1(O)CCC1 CS12835 [0,1,0,1,0,0|0,1,0]=3 570 B7R1.25 OCC1(F)CNC1 MC103712 [0,1,0,1,0,0|2,0,0]=4 571 B7R1.25 OCC1(F)COC1 MC121269 [0,1,0,1,0,0|2,0,0]=4 572 B7R1.16 CC1(C)CC(Br)C1 MC115986 [0,1,0,1,0,0|1,0,0]=3 573 B7R1.16 CC1(N)CC(O)C1 MC103486 [0,1,0,1,0,0|0,1,0]=3 574 B7R1.16 CC1(N)CC(O)C1 MC103487 [0,1,0,1,0,0|0,1,0]=3 575 B7R1.16 CC1(O)CC(N)C1 MC103384 [0,1,0,1,0,0|0,1,0]=3 576 B7R1.16 FC1(F)CC(Br)C1 MC444248 [0,1,0,1,0,0|2,0,0]=4 577 B7R1.16 NC1CC(F)(F)C1 CS21900 [0,1,0,1,0,0|2,0,0]=4 578 B7R1.16 OC1CC(F)(F)C1 MC430977 [0,1,0,1,0,0|1,1,0]=4 579 B7R1.18 CC(O)C1CCC1 CS20672 [0,1,0,1,0,0|0,1,0]=3 580 B7R1.18 CN(C)C1CNC1 CS15992 [0,1,0,1,0,0|2,0,0]=4 581 B7R1.18 FC(F)C1CNC1 MC105425 [0,1,0,1,0,0|2,0,0]=4 582 B7R1.23 NCC1CC1(F)F MC431599 [0,1,0,1,0,0|2,0,0]=4 583 B7R1.23 OCC1CC1(F)F MC429452 [0,1,0,1,0,0|2,0,0]=4 584 B7R1.7 C=CCCC1CO1 MC42008 [0,1,0,1,0,0|0,1,1]=4 585 B7R1.14 CC1(C)NCCS1 CS22651 [0,1,0,1,0,0|1,0,0]=3 586 B7R1.14 CC1(O)CCCC1 CS20768 [0,1,0,1,0,0|0,1,0]=3 587 B7R1.14 CC1(O)CCNC1 MC107172 [0,1,0,1,0,0|0,1,0]=3 588 B7R1.14 FC1(F)CCNC1 CS16398 [0,1,0,1,0,0|2,0,0]=4 589 B7R1.26 CS(=N)(=O)C1CC1 MC116236 [0,1,0,1,0,0|1,1,0]=4 590 B7R2.11 C1NC2CC1C2 MC102501 [0,0,0,2,0,0|1,0,0]=3 591 B7R2.13 C1CC2CC2N1 MC105462 [0,0,0,2,0,0|1,0,0]=3 592 B7R2.13 C1CC2CC2N1 MC121378 [0,0,0,2,0,0|1,0,0]=3 593 B7R2.13 C1NCC2CC12 MC104429 [0,0,0,2,0,0|2,0,0]=4 594 B7R2.13 C1NCC2CC12 MC425327 [0,0,0,2,0,0|2,0,0]=4