0 B5R0.2 BrCCCCBr MC41885 [0,0,0,0,0,0|3,0,0]=3 1 B5R0.2 C=CCCON MC110761 [0,0,0,0,0,0|2,0,1]=3 2 B5R0.2 C=CCC[Zn]Br MC121337 [0,0,0,0,0,0|3,0,1]=4 3 B5R0.2 CC#CC[Mg]Br MC116059 [0,0,0,0,0,0|3,0,1]=4 4 B5R0.2 CCCCCBr CS20657 [0,0,0,0,0,0|2,0,0]=2 5 B5R0.2 CCCC[Zn]Br MC121334 [0,0,0,0,0,0|3,0,0]=3 6 B5R0.2 CCOCCBr CS21396 [0,0,0,0,0,0|3,0,0]=3 7 B5R0.2 CCOCCCl MC428008 [0,0,0,0,0,0|3,0,0]=3 8 B5R0.2 CNCCC#N CS22369 [0,0,0,0,0,0|1,0,2]=3 9 B5R0.2 CNCCCO CS14200 [0,0,0,0,0,0|2,0,0]=2 10 B5R0.2 CNCCNC CS15116 [0,0,0,0,0,0|3,0,0]=3 11 B5R0.2 CNCCOC MC427349 [0,0,0,0,0,0|2,1,0]=3 12 B5R0.2 COCCC#N CS22345 [0,0,0,0,0,0|0,1,2]=3 13 B5R0.2 COCCCBr CS20649 [0,0,0,0,0,0|1,1,0]=2 14 B5R0.2 COCCCO CS20039 [0,0,0,0,0,0|1,1,0]=2 15 B5R0.2 COCCNN MC103229 [0,0,0,0,0,0|1,1,0]=2 16 B5R0.2 COCCNN MC107041 [0,0,0,0,0,0|1,1,0]=2 17 B5R0.2 COCCOC MC41899 [0,0,0,0,0,0|2,1,0]=3 18 B5R0.2 COCCOC MC445008 [0,0,0,0,0,0|2,1,0]=3 19 B5R0.2 C\C=C\C[Pd]Cl MC444919 [0,0,0,0,0,0|3,0,1]=4 20 B5R0.2 N#CCCC#N MC10499 [0,0,0,0,0,0|2,0,2]=4 21 B5R0.2 N#CCCCBr MC433750 [0,0,0,0,0,0|3,0,0]=3 22 B5R0.2 NCC#CCCl MC436177 [0,0,0,0,0,0|2,0,2]=4 23 B5R0.2 NCCCCBr CS14979 [0,0,0,0,0,0|2,0,0]=2 24 B5R0.2 NCCCCN CS19906 [0,0,0,0,0,0|2,0,0]=2 25 B4R0.2 C#CCCN MC424006 [1,0,0,0,0,0|0,0,2]=3 26 B4R0.2 C#CCNC MC41929 [1,0,0,0,0,0|1,0,2]=4 27 B4R0.2 C#CCON MC113172 [1,0,0,0,0,0|1,0,2]=4 28 B4R0.2 C=CCNN MC107856 [1,0,0,0,0,0|1,0,2]=4 29 B4R0.2 C=COCC MC41915 [1,0,0,0,0,0|2,0,1]=4 30 B4R0.2 CCCC=O MC41868 [1,0,0,0,0,0|1,0,1]=3 31 B4R0.2 CCCCO MC41869 [1,0,0,0,0,0|1,0,0]=2 32 B4R0.2 CCC[Zn]Br MC121348 [1,0,0,0,0,0|2,0,0]=3 33 B4R0.2 CCNCC CS11240 [1,0,0,0,0,0|2,0,0]=3 34 B4R0.2 CCOC=N MC33024 [1,0,0,0,0,0|1,0,2]=4 35 B4R0.2 CCOC=O MC41912 [1,0,0,0,0,0|2,0,1]=4 36 B4R0.2 CCOCC MC41960 [1,0,0,0,0,0|2,0,0]=3 37 B4R0.2 CC[Zn]CC MC10752 [1,0,0,0,0,0|2,0,0]=3 38 B4R0.2 CNCC#N CS19888 [1,0,0,0,0,0|1,0,2]=4 39 B4R0.2 CNCCO CS20910 [1,0,0,0,0,0|2,0,0]=3 40 B4R0.2 COCC#N MC40783 [1,0,0,0,0,0|0,1,2]=4 41 B4R0.2 COCCCl MC428007 [1,0,0,0,0,0|1,1,0]=3 42 B4R0.2 ClCCCBr MC41861 [1,0,0,0,0,0|2,0,0]=3 43 B4R0.2 N#CCCBr CS22188 [1,0,0,0,0,0|1,0,2]=4 44 B4R0.2 NCCCBr CS22190 [1,0,0,0,0,0|1,0,0]=2 45 B4R0.2 NCCCS MC428180 [1,0,0,0,0,0|0,0,0]=1 46 B4R0.2 [NH3+]CCCS MC428140 [1,0,0,0,0,0|0,0,1]=2 47 B6R0.1 CCC(C)CCBr MC112369 [0,1,0,0,0,0|2,0,0]=3 48 B6R0.1 CCCC(=O)NN CS22544 [0,1,0,0,0,0|2,0,1]=4 49 B6R0.1 CCCC(C)CBr MC112368 [0,1,0,0,0,0|2,0,0]=3 50 B6R0.1 CCCC(O)CO CS20495 [0,1,0,0,0,0|2,0,0]=3 51 B6R0.1 CCOC(=O)CN CS15347 [0,1,0,0,0,0|2,0,1]=4 52 B6R0.1 CNC(=O)CCN MC112263 [0,1,0,0,0,0|1,0,1]=3 53 B6R0.1 COC(=O)CCBr CS18993 [0,1,0,0,0,0|1,1,1]=4 54 B6R0.1 COC(=O)CCN CS22266 [0,1,0,0,0,0|0,1,1]=3 55 B6R0.1 COCC(=O)NN CS11580 [0,1,0,0,0,0|1,1,1]=4 56 B6R0.1 N#CCC(O)CCl CS22599 [0,1,0,0,0,0|3,0,0]=4 57 B6R0.1 OC(CBr)CCBr MC107100 [0,1,0,0,0,0|3,0,0]=4 58 B6R0.1 OC(CBr)CCBr MC107101 [0,1,0,0,0,0|3,0,0]=4 59 B6R0.1 OCCC(O)CO MC42234 [0,1,0,0,0,0|3,0,0]=4 60 B6R0.1 [NH3+]CCC(F)C[NH3+] MC112759 [0,1,0,0,0,0|2,0,1]=4 61 B6R0.4 C#CCCC(N)=O MC106194 [0,1,0,0,0,0|1,0,2]=4 62 B6R0.4 CC(=O)CCCBr CS10305 [0,1,0,0,0,0|2,0,0]=3 63 B6R0.4 CC(=O)CCCCl CS10334 [0,1,0,0,0,0|2,0,0]=3 64 B6R0.4 CC(=O)NCCCl MC33011 [0,1,0,0,0,0|3,0,0]=4 65 B6R0.4 CC(C)CCC=O MC428026 [0,1,0,0,0,0|2,0,1]=4 66 B6R0.4 CC(C)CCCO MC428025 [0,1,0,0,0,0|2,0,0]=3 67 B6R0.4 CC(C)NCCN MC20461 [0,1,0,0,0,0|2,0,0]=3 68 B6R0.4 CCCCC(=O)Cl MC40508 [0,1,0,0,0,0|2,0,1]=4 69 B6R0.4 CN(C)CCCBr CS22184 [0,1,0,0,0,0|2,0,0]=3 70 B6R0.4 CN(C)CCCCl CS13505 [0,1,0,0,0,0|2,0,0]=3 71 B6R0.4 CN(C)CCCCl CS14943 [0,1,0,0,0,0|2,0,0]=3 72 B6R0.4 CNCCN(C)C CS11723 [0,1,0,0,0,0|3,0,0]=4 73 B6R0.4 CNCCN(C)C CS15131 [0,1,0,0,0,0|3,0,0]=4 74 B6R0.4 NCCCC(=O)O CS14998 [0,1,0,0,0,0|2,0,0]=3 75 B6R0.4 NCCCC(N)=O MC112262 [0,1,0,0,0,0|2,0,0]=3 76 B6R0.4 O=C(Cl)CCCCl MC40450 [0,1,0,0,0,0|3,0,0]=4 77 B6R0.4 O=C(O)CCCBr CS14053 [0,1,0,0,0,0|3,0,0]=4 78 B6R0.6 BrCCCCCBr MC41886 [0,1,0,0,0,0|2,0,0]=3 79 B6R0.6 BrCCNCCBr CS11032 [0,1,0,0,0,0|3,0,0]=4 80 B6R0.6 C#CCCCCO MC424004 [0,1,0,0,0,0|2,0,1]=4 81 B6R0.6 C=CCCCCCl MC427568 [0,1,0,0,0,0|2,0,1]=4 82 B6R0.6 C=CCCCCN MC111853 [0,1,0,0,0,0|1,0,1]=3 83 B6R0.6 C=CCCCCO CS10397 [0,1,0,0,0,0|2,0,1]=4 84 B6R0.6 C=CCCC[Zn]Br MC121349 [0,1,0,0,0,0|2,0,1]=4 85 B6R0.6 C=COCCCN MC41859 [0,1,0,0,0,0|0,1,1]=3 86 B6R0.6 C=COCCON MC106384 [0,1,0,0,0,0|1,1,1]=4 87 B6R0.6 CCCOCCCl MC428009 [0,1,0,0,0,0|2,0,0]=3 88 B6R0.6 COCCCC=O MC111975 [0,1,0,0,0,0|1,1,0]=3 89 B6R0.6 COCCCCBr CS22933 [0,1,0,0,0,0|1,1,0]=3 90 B6R0.6 COCCCCCl MC428014 [0,1,0,0,0,0|1,1,0]=3 91 B6R0.6 ClCCNCCCl CS16038 [0,1,0,0,0,0|3,0,0]=4 92 B6R0.6 ClCCOCCCl MC41873 [0,1,0,0,0,0|3,0,0]=4 93 B6R0.6 FCCCCCBr CS14708 [0,1,0,0,0,0|2,0,0]=3 94 B6R0.6 FCCCC[Mg]Br MC116032 [0,1,0,0,0,0|3,0,0]=4 95 B6R0.6 N#CCCCCCl CS10359 [0,1,0,0,0,0|1,0,2]=4 96 B6R0.6 NCCCCCN CS19074 [0,1,0,0,0,0|1,0,0]=2 97 B6R0.6 OCCCCCCl CS14778 [0,1,0,0,0,0|2,0,0]=3 98 B6R0.6 OCCCCCO CS20549 [0,1,0,0,0,0|2,0,0]=3 99 B6R0.6 OCCOCCO MC41893 [0,1,0,0,0,0|3,0,0]=4 100 B6R0.6 SCCOCCS MC112783 [0,1,0,0,0,0|3,0,0]=4 101 B6R1.1 C1=CCNCC1 MC444071 [0,0,0,1,0,0|1,0,1]=3 102 B6R1.1 C1=CCOCC1 MC427315 [0,0,0,1,0,0|1,1,1]=4 103 B6R1.1 C1=CCSCC1 MC427366 [0,0,0,1,0,0|1,0,1]=3 104 B6R1.1 C1=COCCC1 MC20500 [0,0,0,1,0,0|1,1,1]=4 105 B6R1.1 C1CCCCC1 MC41853 [0,0,0,1,0,0|2,0,0]=3 106 B6R1.1 C1CCNNC1 CS17893 [0,0,0,1,0,0|2,0,0]=3 107 B6R1.1 C1CC[NH2+]CC1 CS16333 [0,0,0,1,0,0|1,0,1]=3 108 B6R1.1 C1CNCCN1 MC41703 [0,0,0,1,0,0|2,0,0]=3 109 B6R1.1 C1COCCN1 MC20726 [0,0,0,1,0,0|2,0,0]=3 110 B6R1.1 C1CSCCN1 MC20759 [0,0,0,1,0,0|2,0,0]=3 111 B6R1.2 BrC1CCNC1 CS15742 [0,0,0,1,0,0|2,0,0]=3 112 B6R1.2 BrC1CCOC1 CS14643 [0,0,0,1,0,0|1,1,0]=3 113 B6R1.2 CC1=NCCC1 CS21664 [0,0,0,1,0,0|1,0,1]=3 114 B6R1.2 CC1CCCN1 CS18299 [0,0,0,1,0,0|1,0,0]=2 115 B6R1.2 CC1CCCN1 CS18800 [0,0,0,1,0,0|1,0,0]=2 116 B6R1.2 CC1CCCN1 CS19735 [0,0,0,1,0,0|1,0,0]=2 117 B6R1.2 CC1CCCN1 CS21699 [0,0,0,1,0,0|1,0,0]=2 118 B6R1.2 CC1CCCN1 CS21700 [0,0,0,1,0,0|1,0,0]=2 119 B6R1.2 CC1CCCN1 MC428345 [0,0,0,1,0,0|1,0,0]=2 120 B6R1.2 CC1CCCO1 MC20580 [0,0,0,1,0,0|2,0,0]=3 121 B6R1.2 FC1CCNC1 CS12894 [0,0,0,1,0,0|2,0,0]=3 122 B6R1.2 FC1CCNC1 CS14870 [0,0,0,1,0,0|2,0,0]=3 123 B6R1.2 FC1CCNC1 MC31003 [0,0,0,1,0,0|2,0,0]=3 124 B6R1.2 IC1CCOC1 MC101926 [0,0,0,1,0,0|1,1,0]=3 125 B6R1.2 NC1=NCCC1 CS19310 [0,0,0,1,0,0|2,0,1]=4 126 B6R1.2 NC1CC=CC1 CS19415 [0,0,0,1,0,0|1,0,1]=3 127 B6R1.2 NC1CCOC1 CS12010 [0,0,0,1,0,0|0,1,0]=2 128 B6R1.2 NC1CCOC1 CS13003 [0,0,0,1,0,0|0,1,0]=2 129 B6R1.2 NC1CCOC1 CS20366 [0,0,0,1,0,0|0,1,0]=2 130 B6R1.2 NC1CCOC1 MC443324 [0,0,0,1,0,0|0,1,0]=2 131 B6R1.2 NC1CCOC1 MC444237 [0,0,0,1,0,0|0,1,0]=2 132 B6R1.2 O=C1CCCC1 MC21085 [0,0,0,1,0,0|2,0,1]=4 133 B6R1.2 O=C1CCNC1 CS22412 [0,0,0,1,0,0|2,0,1]=4 134 B6R1.2 O=C1CCOC1 CS18178 [0,0,0,1,0,0|1,1,1]=4 135 B6R1.2 O=C1CCSC1 MC20305 [0,0,0,1,0,0|1,0,1]=3 136 B6R1.2 O=C1CNCN1 CS15654 [0,0,0,1,0,0|3,0,0]=4 137 B6R1.2 O=C1NCCN1 CS21607 [0,0,0,1,0,0|3,0,0]=4 138 B6R1.2 O=C1NCCS1 CS20525 [0,0,0,1,0,0|3,0,0]=4 139 B6R1.2 OC1CC=CC1 MC10342 [0,0,0,1,0,0|2,0,1]=4 140 B6R1.2 OC1CCNC1 CS16166 [0,0,0,1,0,0|2,0,0]=3 141 B6R1.2 OC1CCNC1 CS16635 [0,0,0,1,0,0|2,0,0]=3 142 B6R1.2 OC1CCNC1 CS16650 [0,0,0,1,0,0|2,0,0]=3 143 B6R1.2 OC1CCNC1 CS17407 [0,0,0,1,0,0|2,0,0]=3 144 B6R1.2 OC1CCNC1 CS21757 [0,0,0,1,0,0|2,0,0]=3 145 B6R1.2 OC1CCOC1 CS20284 [0,0,0,1,0,0|1,1,0]=3 146 B6R1.2 OC1CCOC1 MC42235 [0,0,0,1,0,0|1,1,0]=3 147 B6R1.2 OC1CCOC1 MC444279 [0,0,0,1,0,0|1,1,0]=3 148 B6R1.3 N#CCC1CC1 MC433947 [0,0,0,1,0,0|1,0,2]=4 149 B6R1.3 NCCC1CC1 MC425320 [0,0,0,1,0,0|1,0,0]=2 150 B6R1.3 NCCN1CC1 MC100405 [0,0,0,1,0,0|2,0,0]=3 151 B6R1.3 NOCC1CC1 MC107884 [0,0,0,1,0,0|2,0,0]=3 152 B6R1.3 OCCC1CC1 MC433884 [0,0,0,1,0,0|2,0,0]=3 153 B6R1.4 NC1CCC1O MC111877 [0,0,0,1,0,0|2,0,0]=3 154 B6R1.6 BrCC1CCC1 MC10470 [0,0,0,1,0,0|2,0,0]=3 155 B6R1.6 BrCC1CCO1 MC444177 [0,0,0,1,0,0|3,0,0]=4 156 B6R1.6 CNC1CNC1 MC444567 [0,0,0,1,0,0|3,0,0]=4 157 B6R1.6 CNC1COC1 MC425340 [0,0,0,1,0,0|2,1,0]=4 158 B6R1.6 CNC1COC1 MC444120 [0,0,0,1,0,0|2,1,0]=4 159 B6R1.6 COC1CNC1 CS17370 [0,0,0,1,0,0|2,1,0]=4 160 B6R1.6 Cl[Zn]C1CCC1 MC121327 [0,0,0,1,0,0|3,0,0]=4 161 B6R1.6 ICC1COC1 MC101907 [0,0,0,1,0,0|1,1,0]=3 162 B6R1.6 N#CC1CNC1 CS10942 [0,0,0,1,0,0|1,0,2]=4 163 B6R1.6 NCC1CCC1 CS11178 [0,0,0,1,0,0|1,0,0]=2 164 B6R1.6 NCC1CCN1 MC121273 [0,0,0,1,0,0|2,0,0]=3 165 B6R1.6 NCC1CCO1 MC121118 [0,0,0,1,0,0|2,0,0]=3 166 B6R1.6 NCC1CNC1 MC105370 [0,0,0,1,0,0|1,0,0]=2 167 B6R1.6 NCC1COC1 MC10517 [0,0,0,1,0,0|0,1,0]=2 168 B6R1.6 NCC1CSC1 MC121257 [0,0,0,1,0,0|0,0,0]=1 169 B6R1.6 NNC1CCC1 MC111229 [0,0,0,1,0,0|2,0,0]=3 170 B6R1.6 NNC1COC1 MC111202 [0,0,0,1,0,0|1,1,0]=3 171 B6R1.6 OCC1CCN1 CS15230 [0,0,0,1,0,0|2,0,0]=3 172 B6R1.6 OCC1CCN1 MC102029 [0,0,0,1,0,0|2,0,0]=3 173 B6R1.6 OCC1CCN1 MC102030 [0,0,0,1,0,0|2,0,0]=3 174 B6R1.6 OCC1CCO1 CS15009 [0,0,0,1,0,0|3,0,0]=4 175 B6R1.6 OCC1CNC1 CS12891 [0,0,0,1,0,0|2,0,0]=3 176 B6R1.6 OCC1CNC1 MC444028 [0,0,0,1,0,0|2,0,0]=3 177 B6R1.6 OCC1COC1 CS14670 [0,0,0,1,0,0|1,1,0]=3 178 B6R1.8 N#CC1CC1F MC102844 [0,0,0,1,0,0|3,0,0]=4 179 B6R1.8 N#CC1CC1F MC102845 [0,0,0,1,0,0|3,0,0]=4 180 B6R1.8 OCC1CC1F MC102847 [0,0,0,1,0,0|3,0,0]=4 181 B6R1.8 OCC1CC1F MC102848 [0,0,0,1,0,0|3,0,0]=4 182 B6R1.8 OCC1CC1F MC102849 [0,0,0,1,0,0|3,0,0]=4 183 B6R1.8 OCC1CC1F MC102850 [0,0,0,1,0,0|3,0,0]=4 184 B3R0.1 BrCCBr MC41884 [2,0,0,0,0,0|2,0,0]=4 185 B3R0.1 CCC#N MC41959 [2,0,0,0,0,0|0,0,2]=4 186 B3R0.1 CCON CS11314 [2,0,0,0,0,0|1,0,0]=3 187 B3R0.1 CC[Zn]Br MC116063 [2,0,0,0,0,0|2,0,0]=4 188 B3R0.1 CNOC CS13986 [2,0,0,0,0,0|1,1,0]=4 189 B3R0.1 COCCl MC41874 [2,0,0,0,0,0|1,1,0]=4 190 B3R0.1 C\C=C\C MC428373 [2,0,0,0,0,0|0,0,2]=4 191 B3R0.1 FCCBr MC429448 [2,0,0,0,0,0|2,0,0]=4 192 B3R0.1 N#CCN CS19759 [2,0,0,0,0,0|1,0,1]=4 193 B3R0.1 NCCBr CS14044 [2,0,0,0,0,0|1,0,0]=3 194 B3R0.1 NCCCl CS16188 [2,0,0,0,0,0|1,0,0]=3 195 B3R0.1 NCCF CS21564 [2,0,0,0,0,0|1,0,0]=3 196 B3R0.1 SCCS MC20652 [2,0,0,0,0,0|1,0,0]=3 197 B5R0.1 C=C(C)CCBr CS14513 [1,1,0,0,0,0|1,0,1]=4 198 B5R0.1 CC(C)CC=O CS11530 [1,1,0,0,0,0|1,0,1]=4 199 B5R0.1 CC(N)CCO CS14355 [1,1,0,0,0,0|0,1,0]=3 200 B5R0.1 CC(N)CCO CS14356 [1,1,0,0,0,0|0,1,0]=3 201 B5R0.1 CC(N)CCO CS22096 [1,1,0,0,0,0|0,1,0]=3 202 B5R0.1 CC(O)CON CS17735 [1,1,0,0,0,0|1,0,0]=3 203 B5R0.1 CCCB(O)O CS14802 [1,1,0,0,0,0|2,0,0]=4 204 B5R0.1 CCCC(C)=O CS21731 [1,1,0,0,0,0|1,0,0]=3 205 B5R0.1 CCC[N+](=O)[O-] MC428297 [1,1,0,0,0,0|2,0,0]=4 206 B5R0.1 CCOC(=N)N CS11818 [1,1,0,0,0,0|1,0,1]=4 207 B5R0.1 CN(C)CCBr CS10949 [1,1,0,0,0,0|2,0,0]=4 208 B5R0.1 CN(C)CCCl CS14471 [1,1,0,0,0,0|2,0,0]=4 209 B5R0.1 CN(C)CCCl CS17225 [1,1,0,0,0,0|2,0,0]=4 210 B5R0.1 CN(C)CCN CS18603 [1,1,0,0,0,0|1,0,0]=3 211 B5R0.1 CN(C)CCO CS11733 [1,1,0,0,0,0|2,0,0]=4 212 B5R0.1 CNCC(N)=O MC438151 [1,1,0,0,0,0|1,0,1]=4 213 B5R0.1 COCC(C)N CS15401 [1,1,0,0,0,0|0,1,0]=3 214 B5R0.1 COCC(C)O CS20249 [1,1,0,0,0,0|0,1,0]=3 215 B5R0.1 COCC(C)O CS20309 [1,1,0,0,0,0|0,1,0]=3 216 B5R0.1 COCC(C)O CS20741 [1,1,0,0,0,0|0,1,0]=3 217 B5R0.1 COCC(N)=O MC41924 [1,1,0,0,0,0|0,1,1]=4 218 B5R0.1 COCC(N)=S MC102255 [1,1,0,0,0,0|0,1,1]=4 219 B5R0.1 CSCC(=O)Cl MC106201 [1,1,0,0,0,0|1,0,1]=4 220 B5R0.1 CSCC(N)=O CS12608 [1,1,0,0,0,0|0,0,1]=3 221 B5R0.1 NCCC(=O)O CS13499 [1,1,0,0,0,0|0,1,1]=4 222 B5R0.1 NCCC(N)=O MC436150 [1,1,0,0,0,0|0,1,1]=4 223 B5R0.3 CCC(C)[Zn]Br MC121335 [1,1,0,0,0,0|2,0,0]=4 224 B5R0.3 CCC(N)CO CS15119 [1,1,0,0,0,0|1,0,0]=3 225 B5R0.3 CCC(N)CO MC10528 [1,1,0,0,0,0|1,0,0]=3 226 B5R0.3 CCC(N)CO MC20718 [1,1,0,0,0,0|1,0,0]=3 227 B5R0.3 CCC(N)CO MC436159 [1,1,0,0,0,0|1,0,0]=3 228 B5R0.3 CCC(O)CO CS15622 [1,1,0,0,0,0|1,0,0]=3 229 B5R0.3 CNC(=O)CN MC437710 [1,1,0,0,0,0|1,0,1]=4 230 B5R0.3 COC(=O)CN CS15045 [1,1,0,0,0,0|0,1,1]=4 231 B5R0.3 COC(C)CN CS17733 [1,1,0,0,0,0|0,1,0]=3 232 B5R0.3 COC(C)CO CS12306 [1,1,0,0,0,0|1,1,0]=4 233 B5R0.3 NC(CO)CO CS18352 [1,1,0,0,0,0|1,1,0]=4 234 B5R0.3 NCC(O)CCl MC427329 [1,1,0,0,0,0|1,0,0]=3 235 B5R0.3 NCC(O)CN CS14232 [1,1,0,0,0,0|1,0,0]=3 236 B5R0.3 NCC(O)CO CS14832 [1,1,0,0,0,0|0,1,0]=3 237 B5R0.3 NCC(O)CO CS18397 [1,1,0,0,0,0|0,1,0]=3 238 B5R0.3 NCC(O)CO MC20311 [1,1,0,0,0,0|0,1,0]=3 239 B5R0.3 OC(CCl)CCl MC428012 [1,1,0,0,0,0|2,0,0]=4 240 B5R0.3 OC(CF)CF MC429449 [1,1,0,0,0,0|2,0,0]=4 241 B5R0.3 OCC(O)CCl CS15061 [1,1,0,0,0,0|1,1,0]=4 242 B5R0.3 OCC(O)CCl MC20314 [1,1,0,0,0,0|1,1,0]=4 243 B7R0.2 CC(C)CC(N)CO CS14853 [0,2,0,0,0,0|2,0,0]=4 244 B7R0.2 CC(C)CC(N)CO CS19307 [0,2,0,0,0,0|2,0,0]=4 245 B7R0.2 CN(C)CC(O)CO CS15349 [0,2,0,0,0,0|2,0,0]=4 246 B7R0.2 NCC(O)CC(=O)O CS16710 [0,2,0,0,0,0|2,0,0]=4 247 B7R0.3 CCC(O)CCCO MC116029 [0,2,0,0,0,0|2,0,0]=4 248 B7R0.3 COC(=O)CCCBr MC427387 [0,2,0,0,0,0|1,1,0]=4 249 B7R0.3 COC(=O)CCCN MC439309 [0,2,0,0,0,0|0,1,0]=3 250 B7R0.3 COCCC(=O)NN MC111753 [0,2,0,0,0,0|0,1,1]=4 251 B7R0.3 CSCCC(N)CO MC437961 [0,2,0,0,0,0|0,0,0]=2 252 B7R0.5 CCCC(N)C(N)=O MC438024 [0,2,0,0,0,0|1,0,1]=4 253 B7R0.5 CSCC(N)C(=O)O MC439293 [0,2,0,0,0,0|1,0,1]=4 254 B7R0.5 NCCC(N)C(=O)O CS13874 [0,2,0,0,0,0|2,0,0]=4 255 B7R0.5 NCCC(N)C(=O)O CS15080 [0,2,0,0,0,0|2,0,0]=4 256 B7R0.5 NCCC(N)C(=O)O MC436921 [0,2,0,0,0,0|2,0,0]=4 257 B7R0.5 NCCC(N)C(=O)O MC439091 [0,2,0,0,0,0|2,0,0]=4 258 B7R0.5 NCCC(N)C(=O)O MC439321 [0,2,0,0,0,0|2,0,0]=4 259 B7R0.5 NCCC(O)C(=O)O CS15496 [0,2,0,0,0,0|2,0,0]=4 260 B7R0.5 NCCC(O)C(=O)O CS21759 [0,2,0,0,0,0|2,0,0]=4 261 B7R0.7 CCCC(N)CCO CS16692 [0,2,0,0,0,0|2,0,0]=4 262 B7R0.7 CCOC(=O)CCN CS14330 [0,2,0,0,0,0|0,1,1]=4 263 B7R0.7 COCC(N)COC CS21215 [0,2,0,0,0,0|1,1,0]=4 264 B7R0.10 CCC(C)C(N)CO CS18903 [0,2,0,0,0,0|2,0,0]=4 265 B7R0.10 CCC(C)C(N)CO MC437812 [0,2,0,0,0,0|2,0,0]=4 266 B7R0.11 COCC(C)(C)CN MC418388 [0,2,0,0,0,0|0,1,0]=3 267 B7R0.11 COCC(C)(C)CN MC431431 [0,2,0,0,0,0|0,1,0]=3 268 B7R0.12 CCN(CC)CCN MC21046 [0,2,0,0,0,0|2,0,0]=4 269 B7R0.12 COC(CSC)OC MC10796 [0,2,0,0,0,0|2,0,0]=4 270 B7R0.4 CC(=O)CCCCBr CS10627 [0,2,0,0,0,0|2,0,0]=4 271 B7R0.4 CC(O)CCCCO MC112436 [0,2,0,0,0,0|2,0,0]=4 272 B7R0.4 CCCCCB(O)O CS22305 [0,2,0,0,0,0|2,0,0]=4 273 B7R0.4 CCCCCC(C)O CS21570 [0,2,0,0,0,0|2,0,0]=4 274 B7R0.4 CN(C)CCCCO CS22813 [0,2,0,0,0,0|2,0,0]=4 275 B7R0.4 COCCCC(C)N MC112163 [0,2,0,0,0,0|0,1,0]=3 276 B7R0.4 NCCCCC(=O)O MC428108 [0,2,0,0,0,0|1,0,1]=4 277 B7R0.4 NCCNCC(=O)O MC436179 [0,2,0,0,0,0|2,0,0]=4 278 B7R0.6 CC(C)CCC(C)N MC446673 [0,2,0,0,0,0|1,0,0]=3 279 B7R0.6 CC(N)CCC(=O)O MC435302 [0,2,0,0,0,0|2,0,0]=4 280 B7R0.8 CCCCS(N)(=O)=O MC32080 [0,2,0,0,0,0|2,0,0]=4 281 B7R0.8 C[N+](C)(C)CCCBr CS20170 [0,2,0,0,0,0|2,0,0]=4 282 B7R0.8 NCCCP(=O)(O)O CS22520 [0,2,0,0,0,0|2,0,0]=4 283 B7R0.8 NCCCS(=O)(=O)O MC20858 [0,2,0,0,0,0|1,0,1]=4 284 B7R0.1 BrCCCCCCBr CS20550 [0,2,0,0,0,0|2,0,0]=4 285 B7R0.1 C#CCCCCCO CS10705 [0,2,0,0,0,0|2,0,0]=4 286 B7R0.1 C=CCCCCCBr CS19607 [0,2,0,0,0,0|2,0,0]=4 287 B7R0.1 COCCOCCN MC431493 [0,2,0,0,0,0|0,1,0]=3 288 B7R0.1 COCOCCC=O MC445436 [0,2,0,0,0,0|1,1,0]=4 289 B7R0.1 N#CCCCCCBr MC41862 [0,2,0,0,0,0|1,0,1]=4 290 B7R0.1 NCCCNCCBr CS13982 [0,2,0,0,0,0|1,0,0]=3 291 B7R0.1 NCCSSCCN CS11190 [0,2,0,0,0,0|1,0,0]=3 292 B7R0.1 NCC[Se][Se]CCN MC435603 [0,2,0,0,0,0|1,1,0]=4 293 B7R0.1 OCCCCCCBr CS14335 [0,2,0,0,0,0|2,0,0]=4 294 B5R1.1 C1=CCNC1 MC10278 [1,0,0,1,0,0|0,0,2]=4 295 B5R1.1 C1CCNC1 MC41708 [1,0,0,1,0,0|0,0,0]=2 296 B5R1.1 C1CNNC1 CS16750 [1,0,0,1,0,0|1,0,0]=3 297 B5R1.2 BrC1CNC1 MC444255 [1,0,0,1,0,0|2,0,0]=4 298 B5R1.2 BrC1COC1 MC425330 [1,0,0,1,0,0|1,1,0]=4 299 B5R1.2 CC1CNC1 CS13089 [1,0,0,1,0,0|1,0,0]=3 300 B5R1.2 ClC1CNC1 MC444320 [1,0,0,1,0,0|2,0,0]=4 301 B5R1.2 FC1CNC1 CS22297 [1,0,0,1,0,0|2,0,0]=4 302 B5R1.2 FC1COC1 MC113065 [1,0,0,1,0,0|1,1,0]=4 303 B5R1.2 IC1CNC1 MC444286 [1,0,0,1,0,0|2,0,0]=4 304 B5R1.2 IC1COC1 MC10503 [1,0,0,1,0,0|1,1,0]=4 305 B5R1.2 NC1COC1 CS22388 [1,0,0,1,0,0|0,1,0]=3 306 B5R1.2 NC1COC1 MC425332 [1,0,0,1,0,0|0,1,0]=3 307 B5R1.2 NC1CSC1 MC102176 [1,0,0,1,0,0|0,0,0]=2 308 B5R1.2 NC1CSC1 MC115657 [1,0,0,1,0,0|0,0,0]=2 309 B5R1.2 O=C1CCC1 MC10479 [1,0,0,1,0,0|1,0,1]=4 310 B5R1.2 O=C1CCN1 MC31231 [1,0,0,1,0,0|0,1,1]=4 311 B5R1.2 O=C1CSC1 CS13345 [1,0,0,1,0,0|1,0,1]=4 312 B5R1.2 OC1CCC1 CS11176 [1,0,0,1,0,0|1,0,0]=3 313 B5R1.2 OC1CNC1 CS14687 [1,0,0,1,0,0|2,0,0]=4 314 B5R1.2 OC1COC1 CS19329 [1,0,0,1,0,0|1,1,0]=4 315 B5R1.2 SC1COC1 MC101966 [1,0,0,1,0,0|1,1,0]=4 316 B5R1.3 BrCC1CC1 MC10481 [1,0,0,1,0,0|1,0,0]=3 317 B5R1.3 Br[Zn]C1CC1 MC121325 [1,0,0,1,0,0|2,0,0]=4 318 B5R1.3 CCC1CO1 MC20699 [1,0,0,1,0,0|0,1,0]=3 319 B5R1.3 CCC1CO1 MC428314 [1,0,0,1,0,0|0,1,0]=3 320 B5R1.3 CNC1CC1 CS13160 [1,0,0,1,0,0|1,0,0]=3 321 B5R1.3 ClCC1CC1 CS19956 [1,0,0,1,0,0|1,0,0]=3 322 B5R1.3 ClCC1CO1 MC20322 [1,0,0,1,0,0|1,1,0]=4 323 B5R1.3 ClCC1CO1 MC41680 [1,0,0,1,0,0|1,1,0]=4 324 B5R1.3 ICC1CO1 MC102795 [1,0,0,1,0,0|1,1,0]=4 325 B5R1.3 N#CC1CC1 MC41837 [1,0,0,1,0,0|0,0,2]=4 326 B5R1.3 NCC1CC1 CS18907 [1,0,0,1,0,0|0,0,0]=2 327 B5R1.3 NNC1CC1 CS15677 [1,0,0,1,0,0|1,0,0]=3 328 B5R1.3 NNC1CC1 CS18095 [1,0,0,1,0,0|1,0,0]=3 329 B5R1.3 O=CC1CC1 MC428327 [1,0,0,1,0,0|1,0,1]=4 330 B5R1.3 OCC1CC1 CS19620 [1,0,0,1,0,0|1,0,0]=3 331 B5R1.4 FC1CC1Br MC102831 [1,0,0,1,0,0|2,0,0]=4 332 B5R1.4 NC1CC1F MC102833 [1,0,0,1,0,0|1,0,0]=3 333 B5R1.4 NC1CC1F MC425321 [1,0,0,1,0,0|1,0,0]=3 334 B7R1.1 BrCC1CCCC1 MC20145 [0,1,0,1,0,0|2,0,0]=4 335 B7R1.1 BrCC1CCCN1 MC114648 [0,1,0,1,0,0|1,0,0]=3 336 B7R1.1 BrCC1CCCO1 MC106365 [0,1,0,1,0,0|2,0,0]=4 337 B7R1.1 Br[Zn]C1CCCC1 MC121342 [0,1,0,1,0,0|2,0,0]=4 338 B7R1.1 C#CC1CCOC1 MC103679 [0,1,0,1,0,0|1,1,0]=4 339 B7R1.1 CCC1CCCN1 MC110951 [0,1,0,1,0,0|1,0,0]=3 340 B7R1.1 CNC1CCOC1 MC104966 [0,1,0,1,0,0|0,1,0]=3 341 B7R1.1 CNC1CCOC1 MC105597 [0,1,0,1,0,0|0,1,0]=3 342 B7R1.1 COC1=NCCC1 CS10423 [0,1,0,1,0,0|0,1,1]=4 343 B7R1.1 COC1CCCN1 MC41692 [0,1,0,1,0,0|0,1,0]=3 344 B7R1.1 COC1CCNC1 CS12136 [0,1,0,1,0,0|0,1,0]=3 345 B7R1.1 COC1CCNC1 CS12137 [0,1,0,1,0,0|0,1,0]=3 346 B7R1.1 COC1CCNC1 CS22350 [0,1,0,1,0,0|0,1,0]=3 347 B7R1.1 ClCC1=NCCN1 CS13610 [0,1,0,1,0,0|2,0,0]=4 348 B7R1.1 FCC1CCCN1 MC100102 [0,1,0,1,0,0|1,0,0]=3 349 B7R1.1 FCC1CCNC1 MC103199 [0,1,0,1,0,0|2,0,0]=4 350 B7R1.1 N#CC1CCCC1 MC433761 [0,1,0,1,0,0|1,0,1]=4 351 B7R1.1 N#CC1CCCN1 MC104069 [0,1,0,1,0,0|1,0,1]=4 352 B7R1.1 N#CC1CCOC1 MC103877 [0,1,0,1,0,0|0,1,1]=4 353 B7R1.1 N#CC1CCOC1 MC103878 [0,1,0,1,0,0|0,1,1]=4 354 B7R1.1 NCC1CCCC1 CS14873 [0,1,0,1,0,0|1,0,0]=3 355 B7R1.1 NCC1CCCN1 CS15469 [0,1,0,1,0,0|1,0,0]=3 356 B7R1.1 NCC1CCCN1 CS15745 [0,1,0,1,0,0|1,0,0]=3 357 B7R1.1 NCC1CCNC1 MC431426 [0,1,0,1,0,0|1,0,0]=3 358 B7R1.1 NCC1CCOC1 MC102307 [0,1,0,1,0,0|0,1,0]=3 359 B7R1.1 NCC1CCOC1 MC103862 [0,1,0,1,0,0|0,1,0]=3 360 B7R1.1 NCC1CCOC1 MC115675 [0,1,0,1,0,0|0,1,0]=3 361 B7R1.1 NCC1CCOC1 MC121256 [0,1,0,1,0,0|0,1,0]=3 362 B7R1.1 O=CC1CCCC1 MC21048 [0,1,0,1,0,0|2,0,0]=4 363 B7R1.1 OCC1CC=CC1 CS20734 [0,1,0,1,0,0|2,0,0]=4 364 B7R1.1 OCC1CCCC1 CS11185 [0,1,0,1,0,0|2,0,0]=4 365 B7R1.1 OCC1CCCN1 CS17003 [0,1,0,1,0,0|1,0,0]=3 366 B7R1.1 OCC1CCCN1 CS22640 [0,1,0,1,0,0|1,0,0]=3 367 B7R1.1 OCC1CCCO1 MC20392 [0,1,0,1,0,0|2,0,0]=4 368 B7R1.1 OCC1CCNC1 CS11284 [0,1,0,1,0,0|2,0,0]=4 369 B7R1.1 OCC1CCNC1 CS16764 [0,1,0,1,0,0|2,0,0]=4 370 B7R1.1 OCC1CCNC1 CS18341 [0,1,0,1,0,0|2,0,0]=4 371 B7R1.1 OCC1CCNC1 MC102405 [0,1,0,1,0,0|2,0,0]=4 372 B7R1.1 OCC1CCNC1 MC115660 [0,1,0,1,0,0|2,0,0]=4 373 B7R1.1 OCC1CCOC1 MC113000 [0,1,0,1,0,0|1,1,0]=4 374 B7R1.1 OCC1CCOC1 MC113001 [0,1,0,1,0,0|1,1,0]=4 375 B7R1.1 OCC1CCOC1 MC427704 [0,1,0,1,0,0|1,1,0]=4 376 B7R1.2 CC1CCC(C)N1 MC102818 [0,1,0,1,0,0|1,0,0]=3 377 B7R1.2 CN1CCC(N)C1 MC444033 [0,1,0,1,0,0|1,0,0]=3 378 B7R1.2 CN1CCC(N)C1 MC444055 [0,1,0,1,0,0|1,0,0]=3 379 B7R1.2 CN1CCC(N)C1 MC444130 [0,1,0,1,0,0|1,0,0]=3 380 B7R1.2 CN1CCC(O)C1 MC20690 [0,1,0,1,0,0|2,0,0]=4 381 B7R1.2 CN1CCC(O)C1 MC444062 [0,1,0,1,0,0|2,0,0]=4 382 B7R1.2 CN1CCC(O)C1 MC444273 [0,1,0,1,0,0|2,0,0]=4 383 B7R1.2 NC1CCC(O)C1 CS12946 [0,1,0,1,0,0|1,0,0]=3 384 B7R1.2 NC1CCC(O)C1 CS14798 [0,1,0,1,0,0|1,0,0]=3 385 B7R1.2 NC1CCC(O)C1 CS15869 [0,1,0,1,0,0|1,0,0]=3 386 B7R1.2 NC1CCC(O)C1 CS16172 [0,1,0,1,0,0|1,0,0]=3 387 B7R1.2 NC1CNC(=O)C1 MC103473 [0,1,0,1,0,0|1,0,1]=4 388 B7R1.2 NC1COC(=O)C1 CS14340 [0,1,0,1,0,0|0,1,1]=4 389 B7R1.2 NC1COC(=O)C1 CS14674 [0,1,0,1,0,0|0,1,1]=4 390 B7R1.2 O=C1CC(O)CN1 CS14706 [0,1,0,1,0,0|2,0,0]=4 391 B7R1.2 O=C1CC(O)CN1 CS16472 [0,1,0,1,0,0|2,0,0]=4 392 B7R1.2 O=C1CCC(I)C1 MC115016 [0,1,0,1,0,0|2,0,0]=4 393 B7R1.3 BrC1CCCCC1 CS11079 [0,1,0,1,0,0|2,0,0]=4 394 B7R1.3 BrC1CCNCC1 CS18356 [0,1,0,1,0,0|1,0,0]=3 395 B7R1.3 BrC1CCOCC1 CS18193 [0,1,0,1,0,0|1,1,0]=4 396 B7R1.3 CC1CCCCN1 MC20418 [0,1,0,1,0,0|1,0,0]=3 397 B7R1.3 CC1CCCNC1 CS16133 [0,1,0,1,0,0|1,0,0]=3 398 B7R1.3 CC1CCCNC1 MC425227 [0,1,0,1,0,0|1,0,0]=3 399 B7R1.3 CC1CNCCN1 CS13503 [0,1,0,1,0,0|1,0,0]=3 400 B7R1.3 CC1CNCCN1 CS17164 [0,1,0,1,0,0|1,0,0]=3 401 B7R1.3 CC1CNCCN1 CS17167 [0,1,0,1,0,0|1,0,0]=3 402 B7R1.3 CC1CNCCO1 CS14515 [0,1,0,1,0,0|2,0,0]=4 403 B7R1.3 CC1CNCCO1 CS14521 [0,1,0,1,0,0|2,0,0]=4 404 B7R1.3 CC1CNCCO1 CS19299 [0,1,0,1,0,0|2,0,0]=4 405 B7R1.3 CC1CNCCO1 CS21692 [0,1,0,1,0,0|2,0,0]=4 406 B7R1.3 CC1CNCCO1 MC444038 [0,1,0,1,0,0|2,0,0]=4 407 B7R1.3 CC1CNCCO1 MC444192 [0,1,0,1,0,0|2,0,0]=4 408 B7R1.3 CC1COCCN1 CS14856 [0,1,0,1,0,0|1,0,0]=3 409 B7R1.3 CC1COCCN1 CS20285 [0,1,0,1,0,0|1,0,0]=3 410 B7R1.3 CC1COCCN1 CS22371 [0,1,0,1,0,0|1,0,0]=3 411 B7R1.3 CC1COCCN1 CS22413 [0,1,0,1,0,0|1,0,0]=3 412 B7R1.3 CC1COCCN1 MC20820 [0,1,0,1,0,0|1,0,0]=3 413 B7R1.3 CN1CC=CCC1 CS20742 [0,1,0,1,0,0|1,0,1]=4 414 B7R1.3 CN1CCNCC1 MC20458 [0,1,0,1,0,0|2,0,0]=4 415 B7R1.3 ClC1CCNCC1 CS16938 [0,1,0,1,0,0|1,0,0]=3 416 B7R1.3 FC1CCCNC1 MC101908 [0,1,0,1,0,0|1,0,0]=3 417 B7R1.3 FC1CCCNC1 MC101918 [0,1,0,1,0,0|1,0,0]=3 418 B7R1.3 FC1CCCNC1 MC444270 [0,1,0,1,0,0|1,0,0]=3 419 B7R1.3 FC1CCNCC1 CS22845 [0,1,0,1,0,0|1,0,0]=3 420 B7R1.3 IC1CCOCC1 CS18194 [0,1,0,1,0,0|1,1,0]=4 421 B7R1.3 NC1CCCNC1 CS17178 [0,1,0,1,0,0|1,0,0]=3 422 B7R1.3 NC1CCCNC1 CS17182 [0,1,0,1,0,0|1,0,0]=3 423 B7R1.3 NC1CCCNC1 CS22655 [0,1,0,1,0,0|1,0,0]=3 424 B7R1.3 NC1CCOCC1 CS16997 [0,1,0,1,0,0|0,1,0]=3 425 B7R1.3 NC1CCOCC1 CS18985 [0,1,0,1,0,0|0,1,0]=3 426 B7R1.3 O=C1CCCCN1 MC429045 [0,1,0,1,0,0|1,0,1]=4 427 B7R1.3 O=C1CCCNC1 CS14768 [0,1,0,1,0,0|1,0,0]=3 428 B7R1.3 O=C1CCCNC1 CS17767 [0,1,0,1,0,0|1,0,0]=3 429 B7R1.3 O=C1CCCOC1 MC31097 [0,1,0,1,0,0|1,1,0]=4 430 B7R1.3 O=C1CCNCC1 CS22790 [0,1,0,1,0,0|1,0,1]=4 431 B7R1.3 O=C1CCSCC1 CS18797 [0,1,0,1,0,0|1,0,1]=4 432 B7R1.3 O=C1CNCCN1 CS19142 [0,1,0,1,0,0|2,0,0]=4 433 B7R1.3 O=C1CNCCO1 MC441004 [0,1,0,1,0,0|2,0,0]=4 434 B7R1.3 O=C1COCCN1 CS11697 [0,1,0,1,0,0|2,0,0]=4 435 B7R1.3 OC1CCCNC1 CS17016 [0,1,0,1,0,0|1,0,0]=3 436 B7R1.3 OC1CCCNC1 CS17020 [0,1,0,1,0,0|1,0,0]=3 437 B7R1.3 OC1CCCNC1 CS22642 [0,1,0,1,0,0|1,0,0]=3 438 B7R1.3 OC1CCCOC1 CS17782 [0,1,0,1,0,0|1,1,0]=4 439 B7R1.3 OC1CCNCC1 CS14900 [0,1,0,1,0,0|1,0,0]=3 440 B7R1.3 OC1CCNCC1 CS22643 [0,1,0,1,0,0|1,0,0]=3 441 B7R1.3 OC1CCOCC1 CS13929 [0,1,0,1,0,0|1,1,0]=4 442 B7R1.3 OC1CCSCC1 CS12012 [0,1,0,1,0,0|1,0,0]=3 443 B7R1.3 SC1CCCNC1 MC105166 [0,1,0,1,0,0|1,0,0]=3 444 B7R1.3 SC1CCOCC1 MC107026 [0,1,0,1,0,0|1,1,0]=4 445 B7R1.4 CC1COCC1N MC444024 [0,1,0,1,0,0|0,1,0]=3 446 B7R1.4 CN1CCCC1=O MC41699 [0,1,0,1,0,0|2,0,0]=4 447 B7R1.4 NC1CCCC1O CS11147 [0,1,0,1,0,0|1,0,0]=3 448 B7R1.4 NC1CCCC1O CS15594 [0,1,0,1,0,0|1,0,0]=3 449 B7R1.4 NC1CCCC1O CS18884 [0,1,0,1,0,0|1,0,0]=3 450 B7R1.4 NC1CCCC1O CS19404 [0,1,0,1,0,0|1,0,0]=3 451 B7R1.4 NC1CCNC1=O MC107169 [0,1,0,1,0,0|1,0,1]=4 452 B7R1.4 NC1CCNC1=O MC115917 [0,1,0,1,0,0|1,0,1]=4 453 B7R1.4 NC1CCOC1=O CS18578 [0,1,0,1,0,0|0,1,1]=4 454 B7R1.4 NC1CCOC1=O MC439296 [0,1,0,1,0,0|0,1,1]=4 455 B7R1.4 NC1CCSC1=O MC428331 [0,1,0,1,0,0|0,0,1]=3 456 B7R1.4 NC1COCC1N MC101979 [0,1,0,1,0,0|0,1,0]=3 457 B7R1.4 NC1COCC1N MC101980 [0,1,0,1,0,0|0,1,0]=3 458 B7R1.4 NC1COCC1N MC103863 [0,1,0,1,0,0|0,1,0]=3 459 B7R1.4 NC1COCC1N MC113515 [0,1,0,1,0,0|0,1,0]=3 460 B7R1.4 NC1COCC1N MC444023 [0,1,0,1,0,0|0,1,0]=3 461 B7R1.4 NC1COCC1O MC105386 [0,1,0,1,0,0|0,1,0]=3 462 B7R1.4 NC1COCC1O MC105387 [0,1,0,1,0,0|0,1,0]=3 463 B7R1.4 NC1COCC1O MC431325 [0,1,0,1,0,0|0,1,0]=3 464 B7R1.4 O=C1NCCC1O CS19486 [0,1,0,1,0,0|2,0,0]=4 465 B7R1.4 O=C1NCCC1O MC115910 [0,1,0,1,0,0|2,0,0]=4 466 B7R1.4 O=C1NCCC1O MC444274 [0,1,0,1,0,0|2,0,0]=4 467 B7R1.4 OC1CNCC1O CS20186 [0,1,0,1,0,0|2,0,0]=4 468 B7R1.4 OC1CNCC1O MC103857 [0,1,0,1,0,0|2,0,0]=4 469 B7R1.6 COCC1CCN1 MC103809 [0,1,0,1,0,0|0,1,0]=3 470 B7R1.6 COCC1CCN1 MC103810 [0,1,0,1,0,0|0,1,0]=3 471 B7R1.6 COCC1CNC1 MC444220 [0,1,0,1,0,0|0,1,0]=3 472 B7R1.6 ClCCN1CCC1 MC103600 [0,1,0,1,0,0|2,0,0]=4 473 B7R1.6 N#CCC1CNC1 MC105355 [0,1,0,1,0,0|1,0,1]=4 474 B7R1.6 NNCC1CCC1 MC106836 [0,1,0,1,0,0|1,0,0]=3 475 B7R1.6 OCCN1CCC1 MC106862 [0,1,0,1,0,0|2,0,0]=4 476 B7R1.8 CN1CCC1CN MC104666 [0,1,0,1,0,0|1,0,0]=3 477 B7R1.8 CN1CCC1CN MC104667 [0,1,0,1,0,0|1,0,0]=3 478 B7R1.8 CN1CCC1CN MC105491 [0,1,0,1,0,0|1,0,0]=3 479 B7R1.10 CCN1CC(N)C1 MC103459 [0,1,0,1,0,0|2,0,0]=4 480 B7R1.10 CN1CC(CBr)C1 MC106288 [0,1,0,1,0,0|2,0,0]=4 481 B7R1.10 CNC1CC(O)C1 MC104910 [0,1,0,1,0,0|2,0,0]=4 482 B7R1.10 CNC1CC(O)C1 MC444221 [0,1,0,1,0,0|2,0,0]=4 483 B7R1.10 COC1CC(N)C1 MC102191 [0,1,0,1,0,0|0,1,0]=3 484 B7R1.10 COC1CC(N)C1 MC102192 [0,1,0,1,0,0|0,1,0]=3 485 B7R1.10 COC1CC(N)C1 MC105249 [0,1,0,1,0,0|0,1,0]=3 486 B7R1.10 COC1CC(N)C1 MC105250 [0,1,0,1,0,0|0,1,0]=3 487 B7R1.10 COC1CC(N)C1 MC112995 [0,1,0,1,0,0|0,1,0]=3 488 B7R1.10 COC1CC(N)C1 MC444289 [0,1,0,1,0,0|0,1,0]=3 489 B7R1.10 N#CC1CC(N)C1 MC103407 [0,1,0,1,0,0|2,0,0]=4 490 B7R1.10 NC1CC(CO)C1 MC101938 [0,1,0,1,0,0|2,0,0]=4 491 B7R1.10 NC1CC(CO)C1 MC101939 [0,1,0,1,0,0|2,0,0]=4 492 B7R1.10 NC1CC(CO)C1 MC103939 [0,1,0,1,0,0|2,0,0]=4 493 B7R1.10 NC1CC(CO)C1 MC104003 [0,1,0,1,0,0|2,0,0]=4 494 B7R1.10 NC1CC(CO)C1 MC104004 [0,1,0,1,0,0|2,0,0]=4 495 B7R1.10 NC1CC(CO)C1 MC112994 [0,1,0,1,0,0|2,0,0]=4 496 B7R1.10 NCC1CC(=O)C1 MC444212 [0,1,0,1,0,0|1,0,0]=3 497 B7R1.10 NCC1CC(=O)N1 MC111758 [0,1,0,1,0,0|2,0,0]=4 498 B7R1.10 NCC1CC(F)C1 MC103708 [0,1,0,1,0,0|1,0,0]=3 499 B7R1.10 NCC1CC(F)C1 MC104711 [0,1,0,1,0,0|1,0,0]=3 500 B7R1.10 NCC1CC(F)C1 MC444589 [0,1,0,1,0,0|1,0,0]=3 501 B7R1.10 NCC1CC(O)C1 MC101920 [0,1,0,1,0,0|1,0,0]=3 502 B7R1.10 NCC1CC(O)C1 MC101929 [0,1,0,1,0,0|1,0,0]=3 503 B7R1.10 NCC1CC(O)C1 MC103940 [0,1,0,1,0,0|1,0,0]=3 504 B7R1.10 NCC1CC(O)C1 MC113027 [0,1,0,1,0,0|1,0,0]=3 505 B7R1.10 NCC1CC(O)C1 MC115656 [0,1,0,1,0,0|1,0,0]=3 506 B7R1.10 O=C1CC(CO)C1 MC113039 [0,1,0,1,0,0|2,0,0]=4 507 B7R1.25 CC1(CBr)COC1 CS22179 [0,1,0,1,0,0|1,1,0]=4 508 B7R1.25 CC1(CN)CCC1 MC104689 [0,1,0,1,0,0|1,0,0]=3 509 B7R1.25 CC1(CN)CCC1 MC121097 [0,1,0,1,0,0|1,0,0]=3 510 B7R1.25 CC1(CN)CNC1 MC102409 [0,1,0,1,0,0|1,0,0]=3 511 B7R1.25 CC1(CN)COC1 CS22390 [0,1,0,1,0,0|0,1,0]=3 512 B7R1.25 CC1(CO)COC1 CS16968 [0,1,0,1,0,0|1,1,0]=4 513 B7R1.25 CC1(CO)CSC1 MC121099 [0,1,0,1,0,0|1,0,0]=3 514 B7R1.25 CC1(CS)COC1 MC115780 [0,1,0,1,0,0|1,1,0]=4 515 B7R1.25 CCC1(N)CNC1 MC105492 [0,1,0,1,0,0|2,0,0]=4 516 B7R1.25 CCC1(N)COC1 MC102900 [0,1,0,1,0,0|1,1,0]=4 517 B7R1.25 CCC1(O)CNC1 MC444268 [0,1,0,1,0,0|2,0,0]=4 518 B7R1.25 FC1(CBr)COC1 MC113194 [0,1,0,1,0,0|1,1,0]=4 519 B7R1.25 FC1(CI)COC1 MC102471 [0,1,0,1,0,0|1,1,0]=4 520 B7R1.25 NC1(CO)COC1 MC102014 [0,1,0,1,0,0|1,1,0]=4 521 B7R1.25 NCC1(F)COC1 MC102450 [0,1,0,1,0,0|0,1,0]=3 522 B7R1.25 NCC1(N)CCC1 CS17914 [0,1,0,1,0,0|1,0,0]=3 523 B7R1.25 NCC1(O)CCC1 CS12835 [0,1,0,1,0,0|1,0,0]=3 524 B7R1.25 OCC1(F)CNC1 MC103712 [0,1,0,1,0,0|2,0,0]=4 525 B7R1.25 OCC1(F)COC1 MC121269 [0,1,0,1,0,0|1,1,0]=4 526 B7R1.7 C=CCCC1CO1 MC42008 [0,1,0,1,0,0|1,1,0]=4 527 B7R1.12 CC1CC1C(N)=O MC425328 [0,1,0,1,0,0|1,0,1]=4 528 B7R1.14 CC1(C)NCCS1 CS22651 [0,1,0,1,0,0|2,0,0]=4 529 B7R1.14 CC1(O)CCCC1 CS20768 [0,1,0,1,0,0|2,0,0]=4 530 B7R1.14 CC1(O)CCNC1 MC107172 [0,1,0,1,0,0|2,0,0]=4 531 B7R1.14 FC1(F)CCNC1 CS16398 [0,1,0,1,0,0|2,0,0]=4 532 B7R1.18 CC(O)C1CCC1 CS20672 [0,1,0,1,0,0|2,0,0]=4 533 B7R1.18 FC(F)C1CNC1 MC105425 [0,1,0,1,0,0|2,0,0]=4 534 B7R1.18 NC(=O)C1CNC1 MC10515 [0,1,0,1,0,0|1,0,1]=4 535 B7R1.18 NC(=O)C1CNC1 MC10516 [0,1,0,1,0,0|1,0,1]=4 536 B7R1.18 O=C(O)C1CCN1 CS16493 [0,1,0,1,0,0|2,0,0]=4 537 B7R1.18 O=C(O)C1CCN1 CS16972 [0,1,0,1,0,0|2,0,0]=4 538 B7R1.18 O=C(O)C1CCN1 CS18844 [0,1,0,1,0,0|2,0,0]=4 539 B7R1.18 O=C(O)C1CCN1 MC436280 [0,1,0,1,0,0|2,0,0]=4 540 B7R1.18 O=C(O)C1CSC1 MC100118 [0,1,0,1,0,0|1,0,1]=4 541 B7R1.20 N=C(N)CC1CC1 MC114877 [0,1,0,1,0,0|1,0,1]=4 542 B7R1.23 NCC1CC1(F)F MC431599 [0,1,0,1,0,0|2,0,0]=4 543 B7R1.24 C1CNCCNC1 MC31155 [0,1,0,1,0,0|1,0,0]=3 544 B7R1.24 C1CNCCOC1 CS17007 [0,1,0,1,0,0|0,1,0]=3 545 B7R2.13 C1CC2CC2N1 MC105462 [0,0,0,2,0,0|1,0,0]=3 546 B7R2.13 C1CC2CC2N1 MC121378 [0,0,0,2,0,0|1,0,0]=3 547 B7R2.13 C1NCC2CC12 MC104429 [0,0,0,2,0,0|1,0,0]=3 548 B7R2.13 C1NCC2CC12 MC425327 [0,0,0,2,0,0|1,0,0]=3 549 B7R2.11 C1NC2CC1C2 MC102501 [0,0,0,2,0,0|1,0,0]=3 550 B7R2.8 NC1C2CC1C2 MC104372 [0,0,0,2,0,0|1,0,0]=3