0 B5R0.2 BrCCCCBr MC41885 [0,0,0,0,0,0|3,0,1]=4 1 B5R0.2 C#CCN=C=O MC107730 [0,0,0,0,0,0|2,0,2]=4 2 B5R0.2 C=CCCON MC110761 [0,0,0,0,0,0|2,1,0]=3 3 B5R0.2 C=CCC[Zn]Br MC121337 [0,0,0,0,0,0|3,0,0]=3 4 B5R0.2 CC#CC[Mg]Br MC116059 [0,0,0,0,0,0|3,0,1]=4 5 B5R0.2 CCCCCBr CS20657 [0,0,0,0,0,0|2,0,1]=3 6 B5R0.2 CCCC[Zn]Br MC121334 [0,0,0,0,0,0|3,0,0]=3 7 B5R0.2 CCOCCBr CS21396 [0,0,0,0,0,0|3,0,1]=4 8 B5R0.2 CCOCCCl MC428008 [0,0,0,0,0,0|3,0,1]=4 9 B5R0.2 CNCCC#N CS22369 [0,0,0,0,0,0|2,0,1]=3 10 B5R0.2 CNCCCO CS14200 [0,0,0,0,0,0|1,0,2]=3 11 B5R0.2 CNCCNC CS15116 [0,0,0,0,0,0|3,0,0]=3 12 B5R0.2 CNCCOC MC427349 [0,0,0,0,0,0|2,1,0]=3 13 B5R0.2 COCCC#N CS22345 [0,0,0,0,0,0|1,1,1]=3 14 B5R0.2 COCCCBr CS20649 [0,0,0,0,0,0|1,1,1]=3 15 B5R0.2 COCCCO CS20039 [0,0,0,0,0,0|0,1,2]=3 16 B5R0.2 COCCNN MC103229 [0,0,0,0,0,0|2,1,0]=3 17 B5R0.2 COCCNN MC107041 [0,0,0,0,0,0|2,1,0]=3 18 B5R0.2 COCCOC MC41899 [0,0,0,0,0,0|2,1,0]=3 19 B5R0.2 COCCOC MC445008 [0,0,0,0,0,0|2,1,0]=3 20 B5R0.2 C\C=C\C[Pd]Cl MC444919 [0,0,0,0,0,0|3,0,1]=4 21 B5R0.2 N#CCCC#N MC10499 [0,0,0,0,0,0|3,0,1]=4 22 B5R0.2 N#CCCCBr MC433750 [0,0,0,0,0,0|3,0,1]=4 23 B5R0.2 NCCCCBr CS14979 [0,0,0,0,0,0|3,0,1]=4 24 B5R0.2 NCCCCN CS19906 [0,0,0,0,0,0|3,0,1]=4 25 B5R0.2 O=CNNC=O CS20491 [0,0,0,0,0,0|4,0,0]=4 26 B4R0.2 C#CCCN MC424006 [1,0,0,0,0,0|2,0,1]=4 27 B4R0.2 C#CCNC MC41929 [1,0,0,0,0,0|1,0,2]=4 28 B4R0.2 C=CCNN MC107856 [1,0,0,0,0,0|2,0,1]=4 29 B4R0.2 C=CC[Pd]Cl MC444917 [1,0,0,0,0,0|2,0,1]=4 30 B4R0.2 C=COCC MC41915 [1,0,0,0,0,0|2,0,0]=3 31 B4R0.2 CCCC=O MC41868 [1,0,0,0,0,0|0,0,0]=1 32 B4R0.2 CCCCO MC41869 [1,0,0,0,0,0|0,0,2]=3 33 B4R0.2 CCC[Zn]Br MC121348 [1,0,0,0,0,0|2,0,0]=3 34 B4R0.2 CCNCC CS11240 [1,0,0,0,0,0|2,0,1]=4 35 B4R0.2 CCOC=N MC33024 [1,0,0,0,0,0|2,0,0]=3 36 B4R0.2 CCOC=O MC41912 [1,0,0,0,0,0|1,0,0]=2 37 B4R0.2 CCOCC MC41960 [1,0,0,0,0,0|2,0,1]=4 38 B4R0.2 CC[Zn]CC MC10752 [1,0,0,0,0,0|2,0,1]=4 39 B4R0.2 CNCC#N CS19888 [1,0,0,0,0,0|2,0,1]=4 40 B4R0.2 CNCCO CS20910 [1,0,0,0,0,0|1,0,1]=3 41 B4R0.2 COCC#N MC40783 [1,0,0,0,0,0|1,1,1]=4 42 B4R0.2 COCCCl MC428007 [1,0,0,0,0,0|1,1,0]=3 43 B4R0.2 C\C=C\C=O MC41879 [1,0,0,0,0,0|0,0,2]=3 44 B4R0.2 ClCCCBr MC41861 [1,0,0,0,0,0|2,0,1]=4 45 B4R0.2 N#CCCBr CS22188 [1,0,0,0,0,0|2,0,1]=4 46 B4R0.2 NCCCBr CS22190 [1,0,0,0,0,0|2,0,1]=4 47 B4R0.2 NCCCS MC428180 [1,0,0,0,0,0|1,0,1]=3 48 B4R0.2 [NH3+]CCCS MC428140 [1,0,0,0,0,0|1,0,1]=3 49 B6R0.1 CCC(C)CCBr MC112369 [0,1,0,0,0,0|2,0,1]=4 50 B6R0.1 CCCC(C)CBr MC112368 [0,1,0,0,0,0|2,0,1]=4 51 B6R0.1 CCCC(O)CO CS20495 [0,1,0,0,0,0|1,0,2]=4 52 B6R0.4 C#CCCC(=O)Cl MC106035 [0,1,0,0,0,0|1,0,1]=3 53 B6R0.4 C#CCCC(=O)O MC428029 [0,1,0,0,0,0|1,0,1]=3 54 B6R0.4 C#CCCC(N)=O MC106194 [0,1,0,0,0,0|1,0,1]=3 55 B6R0.4 C=CCCC(=O)O CS15216 [0,1,0,0,0,0|1,0,1]=3 56 B6R0.4 CC(=O)CCCBr CS10305 [0,1,0,0,0,0|2,0,0]=3 57 B6R0.4 CC(=O)CCCCl CS10334 [0,1,0,0,0,0|2,0,0]=3 58 B6R0.4 CC(=O)NCCCl MC33011 [0,1,0,0,0,0|3,0,0]=4 59 B6R0.4 CC(C)CCC=O MC428026 [0,1,0,0,0,0|1,0,0]=2 60 B6R0.4 CC(C)CCCO MC428025 [0,1,0,0,0,0|1,0,2]=4 61 B6R0.4 CCCCC(=O)Cl MC40508 [0,1,0,0,0,0|1,0,0]=2 62 B6R0.4 CN(C)CCCBr CS22184 [0,1,0,0,0,0|2,0,1]=4 63 B6R0.4 CN(C)CCCCl CS13505 [0,1,0,0,0,0|2,0,1]=4 64 B6R0.4 CN(C)CCCCl CS14943 [0,1,0,0,0,0|2,0,1]=4 65 B6R0.4 CN(C)\C=C\C=O MC42238 [0,1,0,0,0,0|1,0,2]=4 66 B6R0.4 CNCCN(C)C CS11723 [0,1,0,0,0,0|3,0,0]=4 67 B6R0.4 CNCCN(C)C CS15131 [0,1,0,0,0,0|3,0,0]=4 68 B6R0.4 CO\C=C\C(C)=O MC33352 [0,1,0,0,0,0|0,1,2]=4 69 B6R0.4 N#CCCC(=O)O CS22262 [0,1,0,0,0,0|2,0,0]=3 70 B6R0.4 NCCCC(=O)O CS14998 [0,1,0,0,0,0|2,0,0]=3 71 B6R0.4 NCCCC(N)=O MC112262 [0,1,0,0,0,0|2,0,0]=3 72 B6R0.4 O=C(Cl)CCCCl MC40450 [0,1,0,0,0,0|2,0,0]=3 73 B6R0.4 O=C(O)CCCBr CS14053 [0,1,0,0,0,0|2,0,0]=3 74 B6R0.6 BrCCCCCBr MC41886 [0,1,0,0,0,0|2,0,1]=4 75 B6R0.6 C#CCCCCO MC424004 [0,1,0,0,0,0|2,0,1]=4 76 B6R0.6 C=CCCCCCl MC427568 [0,1,0,0,0,0|2,0,0]=3 77 B6R0.6 C=CCCCCN MC111853 [0,1,0,0,0,0|2,0,0]=3 78 B6R0.6 C=CCCCCO CS10397 [0,1,0,0,0,0|2,0,0]=3 79 B6R0.6 C=CCCC[Zn]Br MC121349 [0,1,0,0,0,0|3,0,0]=4 80 B6R0.6 C=COCCCN MC41859 [0,1,0,0,0,0|3,0,0]=4 81 B6R0.6 C=COCCON MC106384 [0,1,0,0,0,0|2,1,0]=4 82 B6R0.6 CCCOCCCl MC428009 [0,1,0,0,0,0|2,0,1]=4 83 B6R0.6 COCCCC=O MC111975 [0,1,0,0,0,0|0,1,0]=2 84 B6R0.6 COCCCCBr CS22933 [0,1,0,0,0,0|1,1,1]=4 85 B6R0.6 COCCCCCl MC428014 [0,1,0,0,0,0|1,1,1]=4 86 B6R0.6 FCCCCCBr CS14708 [0,1,0,0,0,0|2,0,1]=4 87 B6R0.6 FCCCC[Mg]Br MC116032 [0,1,0,0,0,0|3,0,0]=4 88 B6R0.6 N#CCCCCCl CS10359 [0,1,0,0,0,0|2,0,1]=4 89 B6R0.6 NCCCCCN CS19074 [0,1,0,0,0,0|2,0,1]=4 90 B6R0.6 OCCCCCCl CS14778 [0,1,0,0,0,0|1,0,2]=4 91 B6R0.6 OCCCCCO CS20549 [0,1,0,0,0,0|1,0,2]=4 92 B6R1.1 C1=CCNCC1 MC444071 [0,0,0,1,0,0|2,0,0]=3 93 B6R1.1 C1=CCOCC1 MC427315 [0,0,0,1,0,0|1,1,0]=3 94 B6R1.1 C1=CCSCC1 MC427366 [0,0,0,1,0,0|1,0,0]=2 95 B6R1.1 C1=COCCC1 MC20500 [0,0,0,1,0,0|1,0,2]=4 96 B6R1.1 C1CCCCC1 MC41853 [0,0,0,1,0,0|2,0,1]=4 97 B6R1.1 C1CCNNC1 CS17893 [0,0,0,1,0,0|3,0,0]=4 98 B6R1.1 C1CC[NH2+]CC1 CS16333 [0,0,0,1,0,0|2,0,1]=4 99 B6R1.1 C1CNCCN1 MC41703 [0,0,0,1,0,0|3,0,0]=4 100 B6R1.1 C1COCCN1 MC20726 [0,0,0,1,0,0|2,1,0]=4 101 B6R1.1 C1CSCCN1 MC20759 [0,0,0,1,0,0|2,0,0]=3 102 B6R1.2 BrC1CCNC1 CS15742 [0,0,0,1,0,0|2,0,1]=4 103 B6R1.2 BrC1CCOC1 CS14643 [0,0,0,1,0,0|1,1,1]=4 104 B6R1.2 CC1=NCCC1 CS21664 [0,0,0,1,0,0|2,0,1]=4 105 B6R1.2 CC1CCCN1 CS18299 [0,0,0,1,0,0|2,0,1]=4 106 B6R1.2 CC1CCCN1 CS18800 [0,0,0,1,0,0|2,0,1]=4 107 B6R1.2 CC1CCCN1 CS19735 [0,0,0,1,0,0|2,0,1]=4 108 B6R1.2 CC1CCCN1 CS21699 [0,0,0,1,0,0|2,0,1]=4 109 B6R1.2 CC1CCCN1 CS21700 [0,0,0,1,0,0|2,0,1]=4 110 B6R1.2 CC1CCCN1 MC428345 [0,0,0,1,0,0|2,0,1]=4 111 B6R1.2 CC1CCCO1 MC20580 [0,0,0,1,0,0|1,0,2]=4 112 B6R1.2 FC1CCNC1 CS12894 [0,0,0,1,0,0|2,0,1]=4 113 B6R1.2 FC1CCNC1 CS14870 [0,0,0,1,0,0|2,0,1]=4 114 B6R1.2 FC1CCNC1 MC31003 [0,0,0,1,0,0|2,0,1]=4 115 B6R1.2 IC1CCOC1 MC101926 [0,0,0,1,0,0|1,1,1]=4 116 B6R1.2 NC1=NCCC1 CS19310 [0,0,0,1,0,0|3,0,0]=4 117 B6R1.2 NC1CCOC1 CS12010 [0,0,0,1,0,0|1,1,1]=4 118 B6R1.2 NC1CCOC1 CS13003 [0,0,0,1,0,0|1,1,1]=4 119 B6R1.2 NC1CCOC1 CS20366 [0,0,0,1,0,0|1,1,1]=4 120 B6R1.2 NC1CCOC1 MC443324 [0,0,0,1,0,0|1,1,1]=4 121 B6R1.2 NC1CCOC1 MC444237 [0,0,0,1,0,0|1,1,1]=4 122 B6R1.2 O=C1C=CSN1 MC427073 [0,0,0,1,0,0|1,0,2]=4 123 B6R1.2 O=C1CC=NN1 CS20496 [0,0,0,1,0,0|2,0,1]=4 124 B6R1.2 O=C1CCCC1 MC21085 [0,0,0,1,0,0|1,0,0]=2 125 B6R1.2 O=C1CCNC1 CS22412 [0,0,0,1,0,0|1,0,0]=2 126 B6R1.2 O=C1CCOC1 CS18178 [0,0,0,1,0,0|0,1,0]=2 127 B6R1.2 O=C1CCSC1 MC20305 [0,0,0,1,0,0|0,0,0]=1 128 B6R1.2 O=C1CNCN1 CS15654 [0,0,0,1,0,0|2,0,0]=3 129 B6R1.2 O=C1NCCN1 CS21607 [0,0,0,1,0,0|3,0,0]=4 130 B6R1.2 O=C1NCCS1 CS20525 [0,0,0,1,0,0|3,0,0]=4 131 B6R1.2 O=C1OCCO1 CS20012 [0,0,0,1,0,0|3,0,0]=4 132 B6R1.2 OC1CCNC1 CS16166 [0,0,0,1,0,0|1,0,2]=4 133 B6R1.2 OC1CCNC1 CS16635 [0,0,0,1,0,0|1,0,2]=4 134 B6R1.2 OC1CCNC1 CS16650 [0,0,0,1,0,0|1,0,2]=4 135 B6R1.2 OC1CCNC1 CS17407 [0,0,0,1,0,0|1,0,2]=4 136 B6R1.2 OC1CCNC1 CS21757 [0,0,0,1,0,0|1,0,2]=4 137 B6R1.2 OC1CCOC1 CS20284 [0,0,0,1,0,0|0,1,2]=4 138 B6R1.2 OC1CCOC1 MC42235 [0,0,0,1,0,0|0,1,2]=4 139 B6R1.2 OC1CCOC1 MC444279 [0,0,0,1,0,0|0,1,2]=4 140 B6R1.3 N#CCC1CC1 MC433947 [0,0,0,1,0,0|2,0,1]=4 141 B6R1.3 NCCC1CC1 MC425320 [0,0,0,1,0,0|2,0,1]=4 142 B6R1.3 NOCC1CC1 MC107884 [0,0,0,1,0,0|3,0,0]=4 143 B6R1.3 O=C=NC1CC1 MC418391 [0,0,0,1,0,0|2,0,1]=4 144 B6R1.3 OCCC1CC1 MC433884 [0,0,0,1,0,0|1,0,2]=4 145 B6R1.4 CC1COC1=O MC121237 [0,0,0,1,0,0|2,0,0]=3 146 B6R1.6 BrCC1CCC1 MC10470 [0,0,0,1,0,0|2,0,1]=4 147 B6R1.6 CNC1CNC1 MC444567 [0,0,0,1,0,0|3,0,0]=4 148 B6R1.6 CNC1COC1 MC425340 [0,0,0,1,0,0|2,1,0]=4 149 B6R1.6 CNC1COC1 MC444120 [0,0,0,1,0,0|2,1,0]=4 150 B6R1.6 COC1CNC1 CS17370 [0,0,0,1,0,0|2,1,0]=4 151 B6R1.6 Cl[Zn]C1CCC1 MC121327 [0,0,0,1,0,0|3,0,0]=4 152 B6R1.6 ICC1COC1 MC101907 [0,0,0,1,0,0|1,1,1]=4 153 B6R1.6 N#CC1CNC1 CS10942 [0,0,0,1,0,0|2,0,1]=4 154 B6R1.6 NCC1CCC1 CS11178 [0,0,0,1,0,0|2,0,1]=4 155 B6R1.6 NCC1CNC1 MC105370 [0,0,0,1,0,0|2,0,1]=4 156 B6R1.6 NCC1COC1 MC10517 [0,0,0,1,0,0|1,1,1]=4 157 B6R1.6 NCC1CSC1 MC121257 [0,0,0,1,0,0|1,0,1]=3 158 B6R1.6 NNC1CCC1 MC111229 [0,0,0,1,0,0|3,0,0]=4 159 B6R1.6 NNC1COC1 MC111202 [0,0,0,1,0,0|2,1,0]=4 160 B6R1.6 OCC1CNC1 CS12891 [0,0,0,1,0,0|1,0,2]=4 161 B6R1.6 OCC1CNC1 MC444028 [0,0,0,1,0,0|1,0,2]=4 162 B6R1.6 OCC1COC1 CS14670 [0,0,0,1,0,0|0,1,2]=4 163 B3R0.1 BrCCBr MC41884 [2,0,0,0,0,0|2,0,0]=4 164 B3R0.1 C=CCBr MC41858 [2,0,0,0,0,0|1,0,1]=4 165 B3R0.1 CCC#N MC41959 [2,0,0,0,0,0|1,0,1]=4 166 B3R0.1 CCON CS11314 [2,0,0,0,0,0|1,1,0]=4 167 B3R0.1 CC[Zn]Br MC116063 [2,0,0,0,0,0|2,0,0]=4 168 B3R0.1 CNOC CS13986 [2,0,0,0,0,0|1,1,0]=4 169 B3R0.1 COCCl MC41874 [2,0,0,0,0,0|1,1,0]=4 170 B3R0.1 C\C=C\C MC428373 [2,0,0,0,0,0|1,0,1]=4 171 B3R0.1 FCCBr MC429448 [2,0,0,0,0,0|2,0,0]=4 172 B3R0.1 NCCBr CS14044 [2,0,0,0,0,0|2,0,0]=4 173 B3R0.1 NCCCl CS16188 [2,0,0,0,0,0|2,0,0]=4 174 B3R0.1 NCCF CS21564 [2,0,0,0,0,0|2,0,0]=4 175 B3R0.1 SCCS MC20652 [2,0,0,0,0,0|0,1,0]=3 176 B5R0.1 C=C(C)CCBr CS14513 [1,1,0,0,0,0|2,0,0]=4 177 B5R0.1 CC#CC(=O)O MC20776 [1,1,0,0,0,0|0,0,2]=4 178 B5R0.1 CC(C)CC=O CS11530 [1,1,0,0,0,0|0,0,0]=2 179 B5R0.1 CC(N)CCO CS14355 [1,1,0,0,0,0|0,0,2]=4 180 B5R0.1 CC(N)CCO CS14356 [1,1,0,0,0,0|0,0,2]=4 181 B5R0.1 CC(N)CCO CS22096 [1,1,0,0,0,0|0,0,2]=4 182 B5R0.1 CC(O)CON CS17735 [1,1,0,0,0,0|2,0,0]=4 183 B5R0.1 CCCB(O)O CS14802 [1,1,0,0,0,0|1,0,1]=4 184 B5R0.1 CCCC(C)=O CS21731 [1,1,0,0,0,0|0,0,0]=2 185 B5R0.1 CCC[N+](=O)[O-] MC428297 [1,1,0,0,0,0|1,0,0]=3 186 B5R0.1 CCOC(=N)N CS11818 [1,1,0,0,0,0|2,0,0]=4 187 B5R0.1 CN(C)CC=O CS17734 [1,1,0,0,0,0|1,0,0]=3 188 B5R0.1 CN(C)CCBr CS10949 [1,1,0,0,0,0|2,0,0]=4 189 B5R0.1 CN(C)CCCl CS14471 [1,1,0,0,0,0|2,0,0]=4 190 B5R0.1 CN(C)CCCl CS17225 [1,1,0,0,0,0|2,0,0]=4 191 B5R0.1 CN(C)CCN CS18603 [1,1,0,0,0,0|2,0,0]=4 192 B5R0.1 CN(C)CCO CS11733 [1,1,0,0,0,0|1,0,1]=4 193 B5R0.1 CNCC(=O)O CS18595 [1,1,0,0,0,0|1,0,0]=3 194 B5R0.1 CNCC(N)=O MC438151 [1,1,0,0,0,0|1,0,0]=3 195 B5R0.1 COCC(=O)Cl MC40491 [1,1,0,0,0,0|0,1,0]=3 196 B5R0.1 COCC(=O)O CS11579 [1,1,0,0,0,0|0,1,0]=3 197 B5R0.1 COCC(C)N CS15401 [1,1,0,0,0,0|0,1,1]=4 198 B5R0.1 COCC(C)O CS20249 [1,1,0,0,0,0|0,1,1]=4 199 B5R0.1 COCC(C)O CS20309 [1,1,0,0,0,0|0,1,1]=4 200 B5R0.1 COCC(C)O CS20741 [1,1,0,0,0,0|0,1,1]=4 201 B5R0.1 COCC(N)=O MC41924 [1,1,0,0,0,0|0,1,0]=3 202 B5R0.1 COCC(N)=S MC102255 [1,1,0,0,0,0|0,2,0]=4 203 B5R0.1 CSCC(=O)Cl MC106201 [1,1,0,0,0,0|0,0,0]=2 204 B5R0.1 CSCC(N)=O CS12608 [1,1,0,0,0,0|0,0,0]=2 205 B5R0.1 C\C=C\C(=O)O MC41882 [1,1,0,0,0,0|0,0,2]=4 206 B5R0.1 N#CCC(=O)O MC41881 [1,1,0,0,0,0|1,0,1]=4 207 B5R0.1 N#CCC(N)=O CS18594 [1,1,0,0,0,0|1,0,1]=4 208 B5R0.1 NCCC(=O)O CS13499 [1,1,0,0,0,0|1,0,0]=3 209 B5R0.1 NCCC(N)=O MC436150 [1,1,0,0,0,0|1,0,0]=3 210 B5R0.1 O=C(O)CCO MC20638 [1,1,0,0,0,0|0,1,0]=3 211 B5R0.3 CCC(C)[Zn]Br MC121335 [1,1,0,0,0,0|2,0,0]=4 212 B5R0.3 CCC(N)CO CS15119 [1,1,0,0,0,0|0,0,2]=4 213 B5R0.3 CCC(N)CO MC10528 [1,1,0,0,0,0|0,0,2]=4 214 B5R0.3 CCC(N)CO MC20718 [1,1,0,0,0,0|0,0,2]=4 215 B5R0.3 CCC(N)CO MC436159 [1,1,0,0,0,0|0,0,2]=4 216 B5R0.3 CCC(O)CO CS15622 [1,1,0,0,0,0|0,0,2]=4 217 B5R0.3 COC(C)CN CS17733 [1,1,0,0,0,0|1,1,0]=4 218 B5R0.3 COC(C)CO CS12306 [1,1,0,0,0,0|0,1,1]=4 219 B5R0.3 O=CC(=O)CO MC427604 [1,1,0,0,0,0|0,1,1]=4 220 B5R0.3 O=CC(Br)C=O CS18151 [1,1,0,0,0,0|0,1,1]=4 221 B5R0.3 O=CC(O)CO MC107096 [1,1,0,0,0,0|0,1,0]=3 222 B5R0.3 O=CC(O)CO MC20361 [1,1,0,0,0,0|0,1,0]=3 223 B5R0.3 O=CC(O)CO MC20362 [1,1,0,0,0,0|0,1,0]=3 224 B7R0.2 CCC(=O)CC(C)=O CS21124 [0,2,0,0,0,0|1,0,1]=4 225 B7R0.2 COC(=O)CC(=O)O CS13436 [0,2,0,0,0,0|0,1,1]=4 226 B7R0.2 COC(=O)CC(=O)[O-] MC41937 [0,2,0,0,0,0|0,1,1]=4 227 B7R0.2 COC(=O)CC(C)=O MC41927 [0,2,0,0,0,0|0,1,1]=4 228 B7R0.2 NCC(O)CC(=O)O CS16710 [0,2,0,0,0,0|2,0,0]=4 229 B7R0.3 C#CCCC(=O)OC MC424002 [0,2,0,0,0,0|1,0,1]=4 230 B7R0.3 C=CCCC(O)CCl MC114485 [0,2,0,0,0,0|2,0,0]=4 231 B7R0.3 COC(=O)CCC=O MC21172 [0,2,0,0,0,0|0,1,0]=3 232 B7R0.3 COC(=O)CCCBr MC427387 [0,2,0,0,0,0|2,0,0]=4 233 B7R0.3 COC(=O)CCCN MC439309 [0,2,0,0,0,0|2,0,0]=4 234 B7R0.3 COCCC(=O)NN MC111753 [0,2,0,0,0,0|0,1,0]=3 235 B7R0.3 CSCCC(N)CO MC437961 [0,2,0,0,0,0|0,0,2]=4 236 B7R0.5 C#CCC(N)C(=O)O CS13900 [0,2,0,0,0,0|1,0,1]=4 237 B7R0.5 C#CCC(N)C(=O)O MC21037 [0,2,0,0,0,0|1,0,1]=4 238 B7R0.5 C#CCC(N)C(=O)O MC438112 [0,2,0,0,0,0|1,0,1]=4 239 B7R0.5 C=CCC(N)C(=O)O MC439179 [0,2,0,0,0,0|1,0,1]=4 240 B7R0.5 CCCC(N)C(=O)O CS10518 [0,2,0,0,0,0|1,0,0]=3 241 B7R0.5 CCCC(N)C(=O)O CS17028 [0,2,0,0,0,0|1,0,0]=3 242 B7R0.5 CCCC(N)C(=O)O MC439125 [0,2,0,0,0,0|1,0,0]=3 243 B7R0.5 CCCC(N)C(N)=O MC438024 [0,2,0,0,0,0|1,0,0]=3 244 B7R0.5 COCC(N)C(=O)O CS12183 [0,2,0,0,0,0|0,1,0]=3 245 B7R0.5 COCC(N)C(=O)O CS16755 [0,2,0,0,0,0|0,1,0]=3 246 B7R0.5 COCC(N)C(=O)O CS20335 [0,2,0,0,0,0|0,1,0]=3 247 B7R0.5 CSCC(N)C(=O)O MC439293 [0,2,0,0,0,0|0,0,0]=2 248 B7R0.5 C[Se]CC(N)C(=O)O MC435442 [0,2,0,0,0,0|0,1,0]=3 249 B7R0.5 C[Se]CC(N)C(=O)O MC435443 [0,2,0,0,0,0|0,1,0]=3 250 B7R0.5 N#CCC(N)C(=O)O MC436869 [0,2,0,0,0,0|2,0,0]=4 251 B7R0.5 NC(CCO)C(=O)O CS13886 [0,2,0,0,0,0|2,0,0]=4 252 B7R0.5 NC(CCO)C(=O)O CS16701 [0,2,0,0,0,0|2,0,0]=4 253 B7R0.5 NC(CCO)C(=O)O CS22620 [0,2,0,0,0,0|2,0,0]=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 B7R0.12 COC(CSC)OC MC10796 [0,2,0,0,0,0|2,0,0]=4 262 B7R0.4 C#CCCCC(=O)O CS14686 [0,2,0,0,0,0|1,0,1]=4 263 B7R0.4 C=CCNCC(=O)O MC439317 [0,2,0,0,0,0|1,0,1]=4 264 B7R0.4 CC#CCOC(C)=O MC434061 [0,2,0,0,0,0|1,0,1]=4 265 B7R0.4 CC(=O)CCCCBr CS10627 [0,2,0,0,0,0|1,0,0]=3 266 B7R0.4 CCCOCC(=O)O MC425744 [0,2,0,0,0,0|1,0,0]=3 267 B7R0.4 CCC\C=C\C(C)=O MC20875 [0,2,0,0,0,0|1,0,1]=4 268 B7R0.4 NCCCCC(=O)O MC428108 [0,2,0,0,0,0|1,0,0]=3 269 B7R0.4 NCCNCC(=O)O MC436179 [0,2,0,0,0,0|2,0,0]=4 270 B7R0.4 O=C(O)CCCCBr MC41866 [0,2,0,0,0,0|1,0,0]=3 271 B7R0.6 C=C(C)CCC(=O)O CS16527 [0,2,0,0,0,0|1,0,0]=3 272 B7R0.6 CC(=O)CCC(=O)O CS18688 [0,2,0,0,0,0|1,0,0]=3 273 B7R0.6 CC(=O)NCC(=O)O CS19131 [0,2,0,0,0,0|2,0,0]=4 274 B7R0.6 CC(C)CCC(=O)Cl MC20895 [0,2,0,0,0,0|1,0,0]=3 275 B7R0.6 CC(N)CCC(=O)O MC435302 [0,2,0,0,0,0|1,0,0]=3 276 B7R0.6 CN(C)CCC(=O)O CS12169 [0,2,0,0,0,0|1,0,0]=3 277 B7R0.6 O=C(O)CC[N+](=O)[O-] MC442448 [0,2,0,0,0,0|2,0,0]=4 278 B7R0.6 O=C([O-])CCC(=O)[O-] MC34018 [0,2,0,0,0,0|2,0,0]=4 279 B7R0.8 CCCCS(=O)(=O)Cl MC32076 [0,2,0,0,0,0|2,0,0]=4 280 B7R0.8 CCCCS(=O)(=O)F MC32077 [0,2,0,0,0,0|2,0,0]=4 281 B7R0.8 CCCCS(=O)(=O)O MC32078 [0,2,0,0,0,0|2,0,0]=4 282 B7R0.8 CCCCS(=O)(=O)[O-] MC32079 [0,2,0,0,0,0|2,0,0]=4 283 B7R0.8 CCCCS(N)(=O)=O MC32080 [0,2,0,0,0,0|2,0,0]=4 284 B7R0.1 C=CCCCCCBr CS19607 [0,2,0,0,0,0|2,0,0]=4 285 B7R0.1 COCOCCC=O MC445436 [0,2,0,0,0,0|0,1,0]=3 286 B7R0.1 [N-]=[N+]=NCCCC=O MC121280 [0,2,0,0,0,0|2,0,0]=4 287 B5R1.1 C1=CCNC1 MC10278 [1,0,0,1,0,0|1,0,1]=4 288 B5R1.1 C1CCNC1 MC41708 [1,0,0,1,0,0|1,0,1]=4 289 B5R1.1 C1CNNC1 CS16750 [1,0,0,1,0,0|2,0,0]=4 290 B5R1.2 BrC1CNC1 MC444255 [1,0,0,1,0,0|2,0,0]=4 291 B5R1.2 BrC1COC1 MC425330 [1,0,0,1,0,0|1,1,0]=4 292 B5R1.2 CC1CNC1 CS13089 [1,0,0,1,0,0|1,0,1]=4 293 B5R1.2 ClC1CNC1 MC444320 [1,0,0,1,0,0|2,0,0]=4 294 B5R1.2 FC1CNC1 CS22297 [1,0,0,1,0,0|2,0,0]=4 295 B5R1.2 FC1COC1 MC113065 [1,0,0,1,0,0|1,1,0]=4 296 B5R1.2 IC1CNC1 MC444286 [1,0,0,1,0,0|2,0,0]=4 297 B5R1.2 IC1COC1 MC10503 [1,0,0,1,0,0|1,1,0]=4 298 B5R1.2 NC1COC1 CS22388 [1,0,0,1,0,0|1,1,0]=4 299 B5R1.2 NC1COC1 MC425332 [1,0,0,1,0,0|1,1,0]=4 300 B5R1.2 NC1CSC1 MC102176 [1,0,0,1,0,0|1,0,0]=3 301 B5R1.2 NC1CSC1 MC115657 [1,0,0,1,0,0|1,0,0]=3 302 B5R1.2 O=C1CCC1 MC10479 [1,0,0,1,0,0|0,0,0]=2 303 B5R1.2 O=C1CCN1 MC31231 [1,0,0,1,0,0|1,0,0]=3 304 B5R1.2 O=C1CNC1 MC444241 [1,0,0,1,0,0|1,0,0]=3 305 B5R1.2 O=C1COC1 CS22391 [1,0,0,1,0,0|0,1,0]=3 306 B5R1.2 O=C1CSC1 CS13345 [1,0,0,1,0,0|0,0,0]=2 307 B5R1.2 OC1CCC1 CS11176 [1,0,0,1,0,0|0,0,2]=4 308 B5R1.2 OC1CNC1 CS14687 [1,0,0,1,0,0|1,0,1]=4 309 B5R1.2 OC1COC1 CS19329 [1,0,0,1,0,0|0,1,1]=4 310 B5R1.2 SC1COC1 MC101966 [1,0,0,1,0,0|0,2,0]=4 311 B5R1.3 BrCC1CC1 MC10481 [1,0,0,1,0,0|1,0,1]=4 312 B5R1.3 Br[Zn]C1CC1 MC121325 [1,0,0,1,0,0|2,0,0]=4 313 B5R1.3 C=CC1CO1 MC428261 [1,0,0,1,0,0|0,1,1]=4 314 B5R1.3 CCC1CO1 MC20699 [1,0,0,1,0,0|0,0,2]=4 315 B5R1.3 CCC1CO1 MC428314 [1,0,0,1,0,0|0,0,2]=4 316 B5R1.3 CNC1CC1 CS13160 [1,0,0,1,0,0|1,0,1]=4 317 B5R1.3 ClCC1CC1 CS19956 [1,0,0,1,0,0|1,0,1]=4 318 B5R1.3 ClCC1CO1 MC20322 [1,0,0,1,0,0|1,1,0]=4 319 B5R1.3 ClCC1CO1 MC41680 [1,0,0,1,0,0|1,1,0]=4 320 B5R1.3 ICC1CO1 MC102795 [1,0,0,1,0,0|1,1,0]=4 321 B5R1.3 N#CC1CC1 MC41837 [1,0,0,1,0,0|1,0,1]=4 322 B5R1.3 NCC1CC1 CS18907 [1,0,0,1,0,0|1,0,1]=4 323 B5R1.3 NNC1CC1 CS15677 [1,0,0,1,0,0|2,0,0]=4 324 B5R1.3 NNC1CC1 CS18095 [1,0,0,1,0,0|2,0,0]=4 325 B5R1.3 O=CC1CC1 MC428327 [1,0,0,1,0,0|0,0,0]=2 326 B5R1.3 OCC1CC1 CS19620 [1,0,0,1,0,0|0,0,2]=4 327 B7R1.1 O=CC1=CCCC1 CS12865 [0,1,0,1,0,0|1,0,1]=4 328 B7R1.1 O=CC1CCCC1 MC21048 [0,1,0,1,0,0|1,0,0]=3 329 B7R1.2 CC1=CC(=O)CC1 CS22356 [0,1,0,1,0,0|1,0,0]=3 330 B7R1.2 CC1=CC(=O)CO1 MC429080 [0,1,0,1,0,0|2,0,0]=4 331 B7R1.2 CC1COC(=O)N1 CS14300 [0,1,0,1,0,0|2,0,0]=4 332 B7R1.2 CC1COC(=O)O1 MC428298 [0,1,0,1,0,0|2,0,0]=4 333 B7R1.2 CN1CCC(=O)C1 CS20760 [0,1,0,1,0,0|1,0,0]=3 334 B7R1.2 NC1CNC(=O)C1 MC103473 [0,1,0,1,0,0|2,0,0]=4 335 B7R1.2 NC1COC(=O)C1 CS14340 [0,1,0,1,0,0|2,0,0]=4 336 B7R1.2 NC1COC(=O)C1 CS14674 [0,1,0,1,0,0|2,0,0]=4 337 B7R1.2 O=C1CC(O)CN1 CS14706 [0,1,0,1,0,0|2,0,0]=4 338 B7R1.2 O=C1CC(O)CN1 CS16472 [0,1,0,1,0,0|2,0,0]=4 339 B7R1.2 O=C1CCC(=O)N1 MC41707 [0,1,0,1,0,0|2,0,0]=4 340 B7R1.2 O=C1CCC(I)C1 MC115016 [0,1,0,1,0,0|1,0,0]=3 341 B7R1.2 O=C1CNC(=O)C1 MC116520 [0,1,0,1,0,0|1,0,1]=4 342 B7R1.2 O=C1CSC(=O)N1 CS22526 [0,1,0,1,0,0|1,0,1]=4 343 B7R1.3 CN1CC=CCC1 CS20742 [0,1,0,1,0,0|2,0,0]=4 344 B7R1.3 O=C1C=CCCC1 MC41883 [0,1,0,1,0,0|1,0,1]=4 345 B7R1.3 O=C1C=CCCN1 CS15771 [0,1,0,1,0,0|1,0,1]=4 346 B7R1.3 O=C1C=CCOC1 CS17023 [0,1,0,1,0,0|0,1,1]=4 347 B7R1.3 O=C1CCCCN1 MC429045 [0,1,0,1,0,0|1,0,0]=3 348 B7R1.3 O=C1CCCCO1 CS11208 [0,1,0,1,0,0|1,0,0]=3 349 B7R1.3 O=C1CCCNC1 CS14768 [0,1,0,1,0,0|1,0,0]=3 350 B7R1.3 O=C1CCCNC1 CS17767 [0,1,0,1,0,0|1,0,0]=3 351 B7R1.3 O=C1CCCOC1 MC31097 [0,1,0,1,0,0|0,1,0]=3 352 B7R1.3 O=C1CCNCC1 CS22790 [0,1,0,1,0,0|1,0,0]=3 353 B7R1.3 O=C1CCOCC1 CS13380 [0,1,0,1,0,0|0,1,0]=3 354 B7R1.3 O=C1CCSCC1 CS18797 [0,1,0,1,0,0|0,0,0]=2 355 B7R1.3 O=C1CNCCN1 CS19142 [0,1,0,1,0,0|1,0,0]=3 356 B7R1.3 O=C1CNCCO1 MC441004 [0,1,0,1,0,0|1,0,0]=3 357 B7R1.3 O=C1COCCN1 CS11697 [0,1,0,1,0,0|0,1,0]=3 358 B7R1.3 O=C1COCCO1 MC20725 [0,1,0,1,0,0|0,1,0]=3 359 B7R1.3 OC1CCSCC1 CS12012 [0,1,0,1,0,0|0,0,2]=4 360 B7R1.4 CC1OCCC1=O CS14135 [0,1,0,1,0,0|0,1,0]=3 361 B7R1.4 CN1CCCC1=O MC41699 [0,1,0,1,0,0|1,0,0]=3 362 B7R1.4 CN1N=CCC1=O CS15601 [0,1,0,1,0,0|1,0,1]=4 363 B7R1.4 NC1CCNC1=O MC107169 [0,1,0,1,0,0|2,0,0]=4 364 B7R1.4 NC1CCNC1=O MC115917 [0,1,0,1,0,0|2,0,0]=4 365 B7R1.4 NC1CCOC1=O CS18578 [0,1,0,1,0,0|2,0,0]=4 366 B7R1.4 NC1CCOC1=O MC439296 [0,1,0,1,0,0|2,0,0]=4 367 B7R1.4 NC1CCSC1=O MC428331 [0,1,0,1,0,0|2,0,0]=4 368 B7R1.4 NC1CONC1=O CS19264 [0,1,0,1,0,0|1,1,0]=4 369 B7R1.4 NC1CONC1=O CS22528 [0,1,0,1,0,0|1,1,0]=4 370 B7R1.4 NC1CONC1=O MC436879 [0,1,0,1,0,0|1,1,0]=4 371 B7R1.4 NN1CCOC1=O MC102926 [0,1,0,1,0,0|2,0,0]=4 372 B7R1.4 O=C1CCC=C1O CS14654 [0,1,0,1,0,0|1,0,1]=4 373 B7R1.4 O=C1CCCC1Br MC445112 [0,1,0,1,0,0|1,0,0]=3 374 B7R1.4 O=C1NCCC1O CS19486 [0,1,0,1,0,0|2,0,0]=4 375 B7R1.4 O=C1NCCC1O MC115910 [0,1,0,1,0,0|2,0,0]=4 376 B7R1.4 O=C1NCCC1O MC444274 [0,1,0,1,0,0|2,0,0]=4 377 B7R1.5 CC1CC1N=C=O MC121381 [0,1,0,1,0,0|1,0,1]=4 378 B7R1.8 O=C1CCC1CO MC104211 [0,1,0,1,0,0|1,0,0]=3 379 B7R1.8 O=C1CCC1CO MC104212 [0,1,0,1,0,0|1,0,0]=3 380 B7R1.8 O=C1CCC1CO MC104213 [0,1,0,1,0,0|1,0,0]=3 381 B7R1.10 NCC1CC(=O)C1 MC444212 [0,1,0,1,0,0|2,0,0]=4 382 B7R1.10 NCC1CC(=O)N1 MC111758 [0,1,0,1,0,0|2,0,0]=4 383 B7R1.10 O=C1CC(CI)N1 MC111759 [0,1,0,1,0,0|2,0,0]=4 384 B7R1.10 O=C1CC(CO)C1 MC113039 [0,1,0,1,0,0|2,0,0]=4 385 B7R1.25 CC1(C=O)COC1 MC444293 [0,1,0,1,0,0|0,1,0]=3 386 B7R1.25 CC1(CO)CSC1 MC121099 [0,1,0,1,0,0|0,0,2]=4 387 B7R1.7 C=CCCC1CO1 MC42008 [0,1,0,1,0,0|1,1,0]=4 388 B7R1.12 CC1CC1C(=O)O MC100841 [0,1,0,1,0,0|1,0,0]=3 389 B7R1.12 CC1CC1C(=O)O MC103281 [0,1,0,1,0,0|1,0,0]=3 390 B7R1.12 CC1CC1C(N)=O MC425328 [0,1,0,1,0,0|1,0,0]=3 391 B7R1.12 NC(=O)C1CC1F MC102846 [0,1,0,1,0,0|2,0,0]=4 392 B7R1.12 O=C(O)C1CC1Br MC430635 [0,1,0,1,0,0|2,0,0]=4 393 B7R1.12 O=C(O)C1CC1F MC21162 [0,1,0,1,0,0|2,0,0]=4 394 B7R1.12 O=C(O)C1CC1F MC425300 [0,1,0,1,0,0|2,0,0]=4 395 B7R1.12 O=C(O)C1CC1F MC425301 [0,1,0,1,0,0|2,0,0]=4 396 B7R1.12 O=C(O)C1CC1F MC425302 [0,1,0,1,0,0|2,0,0]=4 397 B7R1.12 O=C(O)C1CC1F MC425316 [0,1,0,1,0,0|2,0,0]=4 398 B7R1.12 O=C(O)C1CC1I MC102749 [0,1,0,1,0,0|2,0,0]=4 399 B7R1.12 O=C(O)C1CC1I MC425298 [0,1,0,1,0,0|2,0,0]=4 400 B7R1.18 NC(=O)C1CNC1 MC10515 [0,1,0,1,0,0|1,0,0]=3 401 B7R1.18 NC(=O)C1CNC1 MC10516 [0,1,0,1,0,0|1,0,0]=3 402 B7R1.18 O=C(O)C1CCC1 CS22786 [0,1,0,1,0,0|1,0,0]=3 403 B7R1.18 O=C(O)C1CCN1 CS16493 [0,1,0,1,0,0|2,0,0]=4 404 B7R1.18 O=C(O)C1CCN1 CS16972 [0,1,0,1,0,0|2,0,0]=4 405 B7R1.18 O=C(O)C1CCN1 CS18844 [0,1,0,1,0,0|2,0,0]=4 406 B7R1.18 O=C(O)C1CCN1 MC436280 [0,1,0,1,0,0|2,0,0]=4 407 B7R1.18 O=C(O)C1CCO1 MC115721 [0,1,0,1,0,0|2,0,0]=4 408 B7R1.18 O=C(O)C1CNC1 CS16485 [0,1,0,1,0,0|1,0,0]=3 409 B7R1.18 O=C(O)C1COC1 CS22389 [0,1,0,1,0,0|0,1,0]=3 410 B7R1.18 O=C(O)C1CSC1 MC100118 [0,1,0,1,0,0|0,0,0]=2 411 B7R1.20 N=C(N)CC1CC1 MC114877 [0,1,0,1,0,0|2,0,0]=4 412 B7R1.20 O=C(O)CC1CC1 MC433946 [0,1,0,1,0,0|1,0,0]=3 413 B7R1.23 O=CC1CC1(F)F MC429258 [0,1,0,1,0,0|2,0,0]=4