0 B6R0.1 C#CC(=O)OCC MC434052 [0,0,0,0,0,0|0,0,2]=2 1 B6R0.1 CCCC(=O)NN CS22544 [0,0,0,0,0,0|3,0,0]=3 2 B6R0.1 CCNC(=O)NC MC428152 [0,0,0,0,0,0|2,0,1]=3 3 B6R0.1 CCOC(=O)CBr MC41907 [0,0,0,0,0,0|1,0,1]=2 4 B6R0.1 CCOC(=O)CCl MC41910 [0,0,0,0,0,0|1,0,1]=2 5 B6R0.1 CCOC(=O)CN CS15347 [0,0,0,0,0,0|1,0,1]=2 6 B6R0.1 CCOC(=O)CO CS11386 [0,0,0,0,0,0|1,0,1]=2 7 B6R0.1 CCOC(=O)NN CS11383 [0,0,0,0,0,0|2,0,0]=2 8 B6R0.1 CNC(=O)CCN MC112263 [0,0,0,0,0,0|3,0,1]=4 9 B6R0.1 CNCC(=O)OC MC438154 [0,0,0,0,0,0|3,0,1]=4 10 B6R0.1 COC(=O)CCBr CS18993 [0,0,0,0,0,0|3,0,1]=4 11 B6R0.1 COC(=O)CCN CS22266 [0,0,0,0,0,0|3,0,1]=4 12 B6R0.1 COCC(=O)NN CS11580 [0,0,0,0,0,0|4,0,0]=4 13 B6R0.1 C\C=C\C(=O)OC MC41953 [0,0,0,0,0,0|2,0,2]=4 14 B6R0.1 O=C(CCl)NCO CS14580 [0,0,0,0,0,0|3,0,1]=4 15 B5R0.1 C=C(C)CCBr CS14513 [1,0,0,0,0,0|3,0,0]=4 16 B5R0.1 CC#CC(=O)O MC20776 [1,0,0,0,0,0|2,0,1]=4 17 B5R0.1 CCCC(C)=O CS21731 [1,0,0,0,0,0|1,0,1]=3 18 B5R0.1 CCC[N+](=O)[O-] MC428297 [1,0,0,0,0,0|3,0,0]=4 19 B5R0.1 CCOC(=N)N CS11818 [1,0,0,0,0,0|2,0,0]=3 20 B5R0.1 CNCC(=O)O CS18595 [1,0,0,0,0,0|3,0,0]=4 21 B5R0.1 CNCC(N)=O MC438151 [1,0,0,0,0,0|3,0,0]=4 22 B5R0.1 COCC(=O)Cl MC40491 [1,0,0,0,0,0|3,0,0]=4 23 B5R0.1 COCC(=O)O CS11579 [1,0,0,0,0,0|3,0,0]=4 24 B5R0.1 COCC(N)=O MC41924 [1,0,0,0,0,0|3,0,0]=4 25 B5R0.1 CSCC(=O)Cl MC106201 [1,0,0,0,0,0|3,0,0]=4 26 B5R0.1 CSCC(N)=O CS12608 [1,0,0,0,0,0|3,0,0]=4 27 B5R0.1 C\C=C\C(=O)O MC41882 [1,0,0,0,0,0|2,0,1]=4 28 B5R0.1 NCCC(=O)O CS13499 [1,0,0,0,0,0|3,0,0]=4 29 B5R0.1 NCCC(N)=O MC436150 [1,0,0,0,0,0|3,0,0]=4 30 B5R0.1 O=C(O)CCO MC20638 [1,0,0,0,0,0|3,0,0]=4 31 B5R0.2 CCOCCBr CS21396 [1,0,0,0,0,0|1,0,2]=4 32 B5R0.2 CCOCCCl MC428008 [1,0,0,0,0,0|1,0,2]=4 33 B5R0.3 CNC(=O)CCl MC21094 [1,0,0,0,0,0|2,0,1]=4 34 B5R0.3 CNC(=O)CN MC437710 [1,0,0,0,0,0|2,0,1]=4 35 B5R0.3 COC(=O)CN CS15045 [1,0,0,0,0,0|1,0,1]=3 36 B5R0.3 COC(=O)CO CS19433 [1,0,0,0,0,0|1,0,1]=3 37 B5R0.3 COC(=O)CS MC20578 [1,0,0,0,0,0|1,0,1]=3 38 B5R0.3 COC(=O)NN MC20825 [1,0,0,0,0,0|2,0,0]=3 39 B5R0.3 O=C(CO)CO CS11245 [1,0,0,0,0,0|2,0,1]=4 40 B5R0.3 O=CC(=O)CO MC427604 [1,0,0,0,0,0|2,0,0]=3 41 B7R0.2 CC(C)OC(=O)CO CS11522 [0,1,0,0,0,0|1,0,1]=3 42 B7R0.2 CCC(=O)OC(C)=O CS16382 [0,1,0,0,0,0|0,0,3]=4 43 B7R0.2 COC(=O)CC(C)O CS11584 [0,1,0,0,0,0|2,0,1]=4 44 B7R0.3 C=CCOC(=O)CCl MC428296 [0,1,0,0,0,0|1,0,2]=4 45 B7R0.3 COC(=O)CCCBr MC427387 [0,1,0,0,0,0|2,0,1]=4 46 B7R0.3 COC(=O)CCCN MC439309 [0,1,0,0,0,0|2,0,1]=4 47 B7R0.3 COCCC(=O)NN MC111753 [0,1,0,0,0,0|3,0,0]=4 48 B7R0.5 CCOC(=O)C(C)C CS11388 [0,1,0,0,0,0|0,0,2]=3 49 B7R0.5 CCOC(=O)C(C)F MC439605 [0,1,0,0,0,0|0,0,2]=3 50 B7R0.5 CCOC(=O)C(C)N CS15404 [0,1,0,0,0,0|0,0,2]=3 51 B7R0.5 CCOC(=O)C(C)N MC436160 [0,1,0,0,0,0|0,0,2]=3 52 B7R0.5 CCOC(=O)C(C)O CS20075 [0,1,0,0,0,0|0,0,2]=3 53 B7R0.5 CCOC(=O)C(F)Br MC41908 [0,1,0,0,0,0|1,0,1]=3 54 B7R0.5 CCOC(=O)C(F)Cl MC41909 [0,1,0,0,0,0|1,0,1]=3 55 B7R0.5 CCOC(=O)C(F)F CS11385 [0,1,0,0,0,0|1,0,1]=3 56 B7R0.5 CCOC(=O)C(N)=S CS11392 [0,1,0,0,0,0|1,0,0]=2 57 B7R0.7 CC#CC(=O)OCC CS10117 [0,1,0,0,0,0|0,0,2]=3 58 B7R0.7 CCOC(=O)CC#N MC41911 [0,1,0,0,0,0|0,0,2]=3 59 B7R0.7 CCOC(=O)CCN CS14330 [0,1,0,0,0,0|0,0,2]=3 60 B7R0.7 CCOC(=O)CNC CS17068 [0,1,0,0,0,0|0,0,2]=3 61 B7R0.7 CCOC(=O)CNN CS19987 [0,1,0,0,0,0|1,0,1]=3 62 B7R0.7 CCOC(=O)COC CS11389 [0,1,0,0,0,0|0,0,2]=3 63 B7R0.10 CCC(Br)C(=O)OC CS14136 [0,1,0,0,0,0|2,0,1]=4 64 B7R0.10 CCC(N)C(=O)OC MC436010 [0,1,0,0,0,0|2,0,1]=4 65 B7R1.1 O=CC1=CCCC1 CS12865 [0,0,0,1,0,0|3,0,0]=4 66 B7R1.2 CC1=CC=C(Br)S1 CS22735 [0,0,0,1,0,0|1,1,1]=4 67 B7R1.2 CC1=CC=C(C)N1 CS21153 [0,0,0,1,0,0|2,0,1]=4 68 B7R1.2 CC1=NN(C)C=C1 CS20520 [0,0,0,1,0,0|3,0,0]=4 69 B7R1.2 CC1=NNC(=O)O1 CS10427 [0,0,0,1,0,0|2,0,1]=4 70 B7R1.2 CC1=NSC(=O)O1 MC42245 [0,0,0,1,0,0|2,0,1]=4 71 B7R1.2 CC1COC(=O)N1 CS14300 [0,0,0,1,0,0|2,0,1]=4 72 B7R1.2 CC1COC(=O)O1 MC428298 [0,0,0,1,0,0|1,0,1]=3 73 B7R1.2 CN1C=CC(=O)N1 CS17197 [0,0,0,1,0,0|2,0,0]=3 74 B7R1.2 CN1C=CC(Br)=N1 CS20720 [0,0,0,1,0,0|3,0,0]=4 75 B7R1.2 CN1C=CC(I)=N1 MC442844 [0,0,0,1,0,0|3,0,0]=4 76 B7R1.2 CN1C=CC(N)=C1 CS17699 [0,0,0,1,0,0|3,0,0]=4 77 B7R1.2 CN1C=CC(N)=N1 CS13878 [0,0,0,1,0,0|3,0,0]=4 78 B7R1.3 O=C1C=CC=CN1 CS18724 [0,0,0,1,0,0|1,0,2]=4 79 B7R1.3 O=C1C=CC=NN1 CS19793 [0,0,0,1,0,0|2,0,1]=4 80 B7R1.3 O=C1C=CCCC1 MC41883 [0,0,0,1,0,0|1,0,0]=2 81 B7R1.3 O=C1C=CCCN1 CS15771 [0,0,0,1,0,0|1,0,0]=2 82 B7R1.3 O=C1C=CCOC1 CS17023 [0,0,0,1,0,0|2,0,0]=3 83 B7R1.3 O=C1C=CN=CN1 CS19105 [0,0,0,1,0,0|2,0,1]=4 84 B7R1.3 O=C1C=CNN=C1 MC427203 [0,0,0,1,0,0|3,0,0]=4 85 B7R1.3 O=C1CCCCN1 MC429045 [0,0,0,1,0,0|1,0,2]=4 86 B7R1.3 O=C1CCCCO1 CS11208 [0,0,0,1,0,0|0,0,2]=3 87 B7R1.3 O=C1CCCNC1 CS14768 [0,0,0,1,0,0|2,0,1]=4 88 B7R1.3 O=C1CCCNC1 CS17767 [0,0,0,1,0,0|2,0,1]=4 89 B7R1.3 O=C1CCCOC1 MC31097 [0,0,0,1,0,0|2,0,1]=4 90 B7R1.3 O=C1CNCCN1 CS19142 [0,0,0,1,0,0|2,0,1]=4 91 B7R1.3 O=C1CNCCO1 MC441004 [0,0,0,1,0,0|1,0,1]=3 92 B7R1.3 O=C1COCCN1 CS11697 [0,0,0,1,0,0|2,0,1]=4 93 B7R1.3 O=C1COCCO1 MC20725 [0,0,0,1,0,0|1,0,1]=3 94 B7R1.4 CC1OCCC1=O CS14135 [0,0,0,1,0,0|2,0,1]=4 95 B7R1.4 CN1CCCC1=O MC41699 [0,0,0,1,0,0|2,0,1]=4 96 B7R1.4 NC1CCNC1=O MC107169 [0,0,0,1,0,0|2,0,1]=4 97 B7R1.4 NC1CCNC1=O MC115917 [0,0,0,1,0,0|2,0,1]=4 98 B7R1.4 NC1CCOC1=O CS18578 [0,0,0,1,0,0|1,0,1]=3 99 B7R1.4 NC1CCOC1=O MC439296 [0,0,0,1,0,0|1,0,1]=3 100 B7R1.4 NC1CCSC1=O MC428331 [0,0,0,1,0,0|1,1,1]=4 101 B7R1.4 NN1CCOC1=O MC102926 [0,0,0,1,0,0|2,0,0]=3 102 B7R1.4 O=C1CCC=C1O CS14654 [0,0,0,1,0,0|2,0,1]=4 103 B7R1.4 O=C1CCCC1Br MC445112 [0,0,0,1,0,0|2,0,1]=4 104 B7R1.4 O=C1NCCC1O CS19486 [0,0,0,1,0,0|2,0,1]=4 105 B7R1.4 O=C1NCCC1O MC115910 [0,0,0,1,0,0|2,0,1]=4 106 B7R1.4 O=C1NCCC1O MC444274 [0,0,0,1,0,0|2,0,1]=4 107 B7R1.22 COC(=O)C1CC1 MC41839 [0,0,0,1,0,0|2,0,1]=4 108 B7R1.22 O=C(CBr)C1CC1 MC433212 [0,0,0,1,0,0|2,0,1]=4 109 B4R0.1 C#CC(=O)O MC428031 [2,0,0,0,0,0|0,0,2]=4 110 B4R0.1 C=CC(N)=O MC41857 [2,0,0,0,0,0|1,0,0]=3 111 B4R0.1 CC(=O)CBr MC20986 [2,0,0,0,0,0|1,0,1]=4 112 B4R0.1 CC(=O)CN CS10921 [2,0,0,0,0,0|1,0,1]=4 113 B4R0.1 CC(=O)CO CS11467 [2,0,0,0,0,0|1,0,1]=4 114 B4R0.1 CC(=O)NN CS10881 [2,0,0,0,0,0|2,0,0]=4 115 B4R0.1 CC(=O)NO CS14961 [2,0,0,0,0,0|2,0,0]=4 116 B4R0.1 CCC(N)=O CS11886 [2,0,0,0,0,0|1,0,0]=3 117 B4R0.1 CNC(N)=O MC10792 [2,0,0,0,0,0|2,0,0]=4 118 B4R0.1 COC(N)=O CS11667 [2,0,0,0,0,0|1,0,0]=3 119 B4R0.1 COC(N)=[NH2+] CS11820 [2,0,0,0,0,0|2,0,0]=4 120 B4R0.1 C\C=C(/C)Br MC10255 [2,0,0,0,0,0|1,0,1]=4 121 B4R0.1 NC(=O)CBr CS21389 [2,0,0,0,0,0|2,0,0]=4 122 B4R0.1 NCC(=O)O CS19951 [2,0,0,0,0,0|1,0,1]=4 123 B4R0.1 NCC(=O)[O-] CS10910 [2,0,0,0,0,0|2,0,0]=4 124 B4R0.1 NCC(=O)[O-] MC20522 [2,0,0,0,0,0|2,0,0]=4 125 B4R0.1 NCC(N)=O CS13806 [2,0,0,0,0,0|2,0,0]=4 126 B4R0.1 NCC(N)=O MC437712 [2,0,0,0,0,0|2,0,0]=4 127 B4R0.1 O=C(Cl)CBr MC21000 [2,0,0,0,0,0|2,0,0]=4 128 B4R0.1 O=C(O)CCl MC41871 [2,0,0,0,0,0|1,0,1]=4 129 B4R0.1 O=C(O)CO CS19334 [2,0,0,0,0,0|1,0,1]=4 130 B4R0.1 O=C([O-])CCl MC41872 [2,0,0,0,0,0|2,0,0]=4 131 B4R0.2 C=COCC MC41915 [2,0,0,0,0,0|0,0,0]=2 132 B4R0.2 CCCC=O MC41868 [2,0,0,0,0,0|1,0,0]=3 133 B4R0.2 CCOC=N MC33024 [2,0,0,0,0,0|1,0,0]=3 134 B4R0.2 CCOC=O MC41912 [2,0,0,0,0,0|0,0,0]=2 135 B4R0.2 CCOCC MC41960 [2,0,0,0,0,0|0,0,2]=4 136 B4R0.2 C\C=C\C=O MC41879 [2,0,0,0,0,0|1,0,1]=4 137 B6R0.2 CC(Br)CC(=O)O MC106689 [1,1,0,0,0,0|2,0,0]=4 138 B6R0.2 CC(N)CC(=O)O CS19028 [1,1,0,0,0,0|2,0,0]=4 139 B6R0.2 CC(N)CC(=O)O CS20346 [1,1,0,0,0,0|2,0,0]=4 140 B6R0.2 CC(N)CC(=O)O MC439098 [1,1,0,0,0,0|2,0,0]=4 141 B6R0.2 CC(O)CC(=O)O MC426020 [1,1,0,0,0,0|2,0,0]=4 142 B6R0.2 CC(O)CC(=O)O MC426021 [1,1,0,0,0,0|2,0,0]=4 143 B6R0.2 CC(O)CC(=O)[O-] CS20253 [1,1,0,0,0,0|2,0,0]=4 144 B6R0.3 CCC(=O)C(=O)O CS21626 [1,1,0,0,0,0|2,0,0]=4 145 B6R0.3 CCC(Br)C(=O)O MC426015 [1,1,0,0,0,0|2,0,0]=4 146 B6R0.3 CCC(Cl)C(=O)O MC426016 [1,1,0,0,0,0|2,0,0]=4 147 B6R0.3 CCC(N)C(=O)O CS13661 [1,1,0,0,0,0|2,0,0]=4 148 B6R0.3 CCC(N)C(=O)O CS14054 [1,1,0,0,0,0|2,0,0]=4 149 B6R0.3 CCC(N)C(=O)O CS14084 [1,1,0,0,0,0|2,0,0]=4 150 B6R0.3 CCC(N)C(N)=O CS15891 [1,1,0,0,0,0|2,0,0]=4 151 B6R0.3 CCC(N)C(N)=O MC436006 [1,1,0,0,0,0|2,0,0]=4 152 B6R0.4 CC(=O)CCCBr CS10305 [1,1,0,0,0,0|1,0,1]=4 153 B6R0.4 CC(=O)CCCCl CS10334 [1,1,0,0,0,0|1,0,1]=4 154 B6R0.4 CC(=O)NCCCl MC33011 [1,1,0,0,0,0|1,0,1]=4 155 B6R0.4 CCCCC(=O)Cl MC40508 [1,1,0,0,0,0|2,0,0]=4 156 B6R0.4 NCCCC(=O)O CS14998 [1,1,0,0,0,0|2,0,0]=4 157 B6R0.4 NCCCC(N)=O MC112262 [1,1,0,0,0,0|2,0,0]=4 158 B6R0.4 O=C(Cl)CCCCl MC40450 [1,1,0,0,0,0|2,0,0]=4 159 B6R0.4 O=C(O)CCCBr CS14053 [1,1,0,0,0,0|2,0,0]=4 160 B6R0.5 CCOS(C)(=O)=O MC445528 [1,1,0,0,0,0|1,0,1]=4 161 B6R0.6 C=CCCCCCl MC427568 [1,1,0,0,0,0|1,0,1]=4 162 B6R0.6 C=CCCCCN MC111853 [1,1,0,0,0,0|1,0,1]=4 163 B6R0.6 C=CCCCCO CS10397 [1,1,0,0,0,0|1,0,1]=4 164 B6R0.6 C=COCCCN MC41859 [1,1,0,0,0,0|2,0,0]=4 165 B8R0.5 CC(C)OC(=O)OCCl CS19003 [0,2,0,0,0,0|1,0,1]=4 166 B8R0.5 CCOC(=O)C=C(C)C CS11345 [0,2,0,0,0,0|0,0,0]=2 167 B8R0.5 CCOC(=O)CC(=N)N MC41916 [0,2,0,0,0,0|0,0,1]=3 168 B8R0.5 CCOC(=O)CC(=O)Cl MC20855 [0,2,0,0,0,0|0,0,1]=3 169 B8R0.5 CCOC(=O)CC(C)=O MC41905 [0,2,0,0,0,0|0,0,1]=3 170 B8R0.5 CCOC(=O)CC(C)O CS11353 [0,2,0,0,0,0|0,0,2]=4 171 B8R0.5 CCOC(=O)CC(C)O CS18545 [0,2,0,0,0,0|0,0,2]=4 172 B8R0.5 CCOC(=O)CC(N)=O CS18301 [0,2,0,0,0,0|0,0,1]=3 173 B8R0.5 CCOC(=O)C[N+](=O)[O-] CS22612 [0,2,0,0,0,0|1,0,1]=4 174 B8R0.5 CCOC(=O)OC(C)Cl CS20668 [0,2,0,0,0,0|0,0,2]=4 175 B8R0.5 CCOC(=O)\C=C(/C)N CS15795 [0,2,0,0,0,0|0,0,0]=2 176 B8R0.23 CC(C)OC(=O)C(C)N CS14281 [0,2,0,0,0,0|0,0,2]=4 177 B8R0.23 CC(C)OC(=O)C(C)N MC436161 [0,2,0,0,0,0|0,0,2]=4 178 B8R0.23 CC(C)OC(=O)C(C)N MC439194 [0,2,0,0,0,0|0,0,2]=4 179 B8R0.24 CC(C)(C)OC(=O)CN CS15473 [0,2,0,0,0,0|1,0,1]=4 180 B8R0.24 CC(C)(C)OC(=O)CN CS22257 [0,2,0,0,0,0|1,0,1]=4 181 B8R0.24 CC(C)(C)OC(=O)CO CS21767 [0,2,0,0,0,0|1,0,1]=4 182 B8R0.24 CC(C)(C)OC(=O)NN CS22657 [0,2,0,0,0,0|2,0,0]=4 183 B8R0.24 CC(C)(C)OC(=O)NO CS17102 [0,2,0,0,0,0|2,0,0]=4 184 B8R0.1 C#CCCC(=O)OCC MC424003 [0,2,0,0,0,0|0,0,2]=4 185 B8R0.1 CCOC(=O)CCCO MC111642 [0,2,0,0,0,0|0,0,2]=4 186 B8R0.1 CCOC(=O)CN=C=O MC41055 [0,2,0,0,0,0|0,0,2]=4 187 B8R0.1 CCOC(=O)\C=C\C=O CS11394 [0,2,0,0,0,0|0,0,0]=2 188 B8R0.1 CCOC(=O)\C=C\CO MC103341 [0,2,0,0,0,0|0,0,0]=2 189 B8R0.3 C=C(CBr)C(=O)OCC CS11325 [0,2,0,0,0,0|0,0,0]=2 190 B8R0.3 C=C(CO)C(=O)OCC CS20908 [0,2,0,0,0,0|0,0,0]=2 191 B8R0.3 CCOC(=O)C(=O)CBr CS18430 [0,2,0,0,0,0|0,0,1]=3 192 B8R0.3 CCOC(=O)C(=O)CC CS13439 [0,2,0,0,0,0|0,0,1]=3 193 B8R0.3 CCOC(=O)C(=O)NN CS13814 [0,2,0,0,0,0|1,0,0]=3 194 B8R0.3 CCOC(=O)C(C)C#N CS21515 [0,2,0,0,0,0|0,0,2]=4 195 B8R0.3 CCOC(=O)C(Cl)C=O MC444619 [0,2,0,0,0,0|0,0,1]=3 196 B8R0.3 CCOC(=O)C(N)C#N MC425578 [0,2,0,0,0,0|0,0,2]=4 197 B8R0.3 CCOC(=O)C(N)CO CS13449 [0,2,0,0,0,0|0,0,2]=4 198 B8R0.3 CCOC(=O)C(N)CO CS17107 [0,2,0,0,0,0|0,0,2]=4 199 B8R0.3 CCOC(=O)C(N)CO MC439193 [0,2,0,0,0,0|0,0,2]=4 200 B8R0.3 CCOC(=O)C(N)CS CS16176 [0,2,0,0,0,0|0,0,2]=4 201 B8R0.3 CCOC(=O)\C(Cl)=N/O CS16217 [0,2,0,0,0,0|1,0,0]=3 202 B8R0.9 C=CC(=O)OCC(C)O CS21600 [0,2,0,0,0,0|0,0,0]=2 203 B8R0.14 CCOC(=O)C(C)(C)N CS18617 [0,2,0,0,0,0|0,0,2]=4 204 B8R0.14 CCOC(=O)C(F)(F)Br MC20810 [0,2,0,0,0,0|1,0,1]=4 205 B8R0.14 CCOC(=O)C(F)(F)Cl MC439608 [0,2,0,0,0,0|1,0,1]=4 206 B8R0.14 CCOC(=O)C(F)(F)F MC10433 [0,2,0,0,0,0|1,0,1]=4 207 B6R1.2 O=C1CCCC1 MC21085 [1,0,0,1,0,0|1,0,1]=4 208 B6R1.2 O=C1NCCN1 CS21607 [1,0,0,1,0,0|2,0,0]=4 209 B6R1.2 O=C1NCCS1 CS20525 [1,0,0,1,0,0|1,1,0]=4 210 B6R1.2 O=C1OCCO1 CS20012 [1,0,0,1,0,0|1,0,0]=3 211 B6R1.11 NC(=O)C1CC1 CS16456 [1,0,0,1,0,0|2,0,0]=4 212 B6R1.11 O=C(Cl)C1CC1 MC434039 [1,0,0,1,0,0|2,0,0]=4 213 B6R1.11 O=C(O)C1CC1 CS13839 [1,0,0,1,0,0|2,0,0]=4 214 B6R1.1 C1=CCNCC1 MC444071 [1,0,0,1,0,0|1,0,1]=4 215 B6R1.1 C1=CCOCC1 MC427315 [1,0,0,1,0,0|0,0,1]=3 216 B6R1.1 C1=CCSCC1 MC427366 [1,0,0,1,0,0|0,1,1]=4 217 B6R1.1 C1=COCCC1 MC20500 [1,0,0,1,0,0|0,0,1]=3 218 B8R1.1 CC1=CC=C(C=O)N1 CS10436 [0,1,0,1,0,0|1,0,1]=4 219 B8R1.1 CC1=CC=C(C=O)S1 MC20284 [0,1,0,1,0,0|0,1,1]=4 220 B8R1.1 CN1C=CC(C=O)=N1 CS18204 [0,1,0,1,0,0|2,0,0]=4 221 B8R1.1 NCC1=CC=C(Br)O1 MC432586 [0,1,0,1,0,0|1,0,1]=4 222 B8R1.1 NCC1CNC(=O)O1 MC103408 [0,1,0,1,0,0|1,0,1]=4 223 B8R1.1 O=C1C=CC(CO)O1 MC20390 [0,1,0,1,0,0|0,0,0]=2 224 B8R1.1 O=CC1=CC=C(I)O1 MC430408 [0,1,0,1,0,0|1,0,1]=4 225 B8R1.1 OCC1=CC=C(Br)O1 CS15423 [0,1,0,1,0,0|1,0,1]=4 226 B8R1.4 CC1=CC=CC(=O)N1 CS19499 [0,1,0,1,0,0|1,0,1]=4 227 B8R1.4 CC1=NC=CC(=O)N1 CS22425 [0,1,0,1,0,0|1,0,1]=4 228 B8R1.4 CN1CCOC(=O)C1 CS17566 [0,1,0,1,0,0|0,0,2]=4 229 B8R1.4 O=C1CCCC(=O)C1 CS19094 [0,1,0,1,0,0|1,0,1]=4 230 B8R1.4 O=C1CCCC(=O)O1 CS11243 [0,1,0,1,0,0|2,0,0]=4 231 B8R1.4 O=C1CCNC(=O)C1 CS18339 [0,1,0,1,0,0|1,0,1]=4 232 B8R1.18 CC1=C(C)OC(=O)O1 CS18029 [0,1,0,1,0,0|0,0,2]=4 233 B8R1.18 CC1=CC(=O)OC1O CS22773 [0,1,0,1,0,0|1,0,0]=3 234 B8R1.18 CC1CC(=O)OC1=O MC440511 [0,1,0,1,0,0|2,0,0]=4 235 B8R1.18 CC1NC(=O)OC1=O CS17248 [0,1,0,1,0,0|2,0,0]=4 236 B8R1.18 CC1NC(=O)OC1=O MC428306 [0,1,0,1,0,0|2,0,0]=4 237 B8R1.18 O=C1C=C(Br)C(=O)O1 MC444615 [0,1,0,1,0,0|1,0,1]=4 238 B8R1.18 O=C1C=C(Cl)C(O)O1 MC103260 [0,1,0,1,0,0|1,0,0]=3 239 B8R1.2 O=CC1=CCCOC1 CS10171 [0,1,0,1,0,0|2,0,0]=4 240 B8R1.3 CC1=CNC(=O)C=C1 CS21591 [0,1,0,1,0,0|1,0,1]=4 241 B8R1.3 CC1=NNC(=O)C=C1 CS19836 [0,1,0,1,0,0|1,0,1]=4 242 B8R1.5 O=C1CCCC=C1I MC106097 [0,1,0,1,0,0|1,0,0]=3 243 B8R1.5 O=C1CCCCC1=O CS20486 [0,1,0,1,0,0|1,0,1]=4 244 B8R1.5 O=C1OC=CC=C1O CS22311 [0,1,0,1,0,0|0,0,2]=4 245 B8R1.5 O=C1OCCCC1O CS16147 [0,1,0,1,0,0|0,0,2]=4 246 B8R1.50 CC1=C(O)C(=O)CC1 CS16508 [0,1,0,1,0,0|2,0,0]=4 247 B8R1.50 O=C1OCC(O)C1Br MC113108 [0,1,0,1,0,0|1,0,1]=4 248 B8R1.54 O=C(O)C(=O)C1CC1 CS15905 [0,1,0,1,0,0|2,0,0]=4 249 B8R1.54 O=C([O-])C(=O)C1CC1 MC121058 [0,1,0,1,0,0|2,0,0]=4 250 B8R1.8 CCCC1=NC=CN1 CS14621 [0,1,0,1,0,0|2,0,0]=4 251 B8R1.11 CCN1C=NC=C1N MC106195 [0,1,0,1,0,0|2,0,0]=4 252 B8R1.11 CCN1N=CC=C1N MC444111 [0,1,0,1,0,0|2,0,0]=4