0 B6R0.1 C#CC(=O)OCC MC434052 [0,0,0,0,0,0|3,0,1]=4 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|3,0,0]=3 3 B6R0.1 CCOC(=O)CBr MC41907 [0,0,0,0,0,0|4,0,0]=4 4 B6R0.1 CCOC(=O)CCl MC41910 [0,0,0,0,0,0|4,0,0]=4 5 B6R0.1 CCOC(=O)CN CS15347 [0,0,0,0,0,0|4,0,0]=4 6 B6R0.1 CCOC(=O)CO CS11386 [0,0,0,0,0,0|4,0,0]=4 7 B6R0.1 CCOC(=O)NN CS11383 [0,0,0,0,0,0|4,0,0]=4 8 B6R0.1 CNC(=O)CC#N CS18404 [0,0,0,0,0,0|3,0,0]=3 9 B6R0.1 CNC(=O)CCN MC112263 [0,0,0,0,0,0|3,0,0]=3 10 B6R0.1 CNCC(=O)OC MC438154 [0,0,0,0,0,0|1,0,0]=1 11 B6R0.1 COC(=O)C#CBr MC427266 [0,0,0,0,0,0|2,0,1]=3 12 B6R0.1 COC(=O)CC#N MC428339 [0,0,0,0,0,0|2,0,0]=2 13 B6R0.1 COC(=O)CCBr CS18993 [0,0,0,0,0,0|2,0,0]=2 14 B6R0.1 COC(=O)CCN CS22266 [0,0,0,0,0,0|2,0,0]=2 15 B6R0.1 COC(=O)\C=C\I MC20613 [0,0,0,0,0,0|2,0,1]=3 16 B6R0.1 COCC(=O)NN CS11580 [0,0,0,0,0,0|2,1,0]=3 17 B6R0.1 C\C=C\C(=O)OC MC41953 [0,0,0,0,0,0|1,0,1]=2 18 B6R0.1 N#CCC(=O)NN MC425018 [0,0,0,0,0,0|4,0,0]=4 19 B5R0.1 C=C(C)CCBr CS14513 [1,0,0,0,0,0|3,0,0]=4 20 B5R0.1 CC#CC(=O)O MC20776 [1,0,0,0,0,0|1,0,1]=3 21 B5R0.1 CC(=O)\C=N\O CS11520 [1,0,0,0,0,0|2,0,1]=4 22 B5R0.1 CC(=O)\C=N\O CS18968 [1,0,0,0,0,0|2,0,1]=4 23 B5R0.1 CCCB(O)O CS14802 [1,0,0,0,0,0|2,0,1]=4 24 B5R0.1 CCCC(C)=O CS21731 [1,0,0,0,0,0|1,0,0]=2 25 B5R0.1 CCC[N+](=O)[O-] MC428297 [1,0,0,0,0,0|2,0,1]=4 26 B5R0.1 CNCC(=O)O CS18595 [1,0,0,0,0,0|1,0,0]=2 27 B5R0.1 CNCC(N)=O MC438151 [1,0,0,0,0,0|2,0,0]=3 28 B5R0.1 COCC(=O)Cl MC40491 [1,0,0,0,0,0|1,1,0]=3 29 B5R0.1 COCC(=O)O CS11579 [1,0,0,0,0,0|0,1,0]=2 30 B5R0.1 COCC(C)N CS15401 [1,0,0,0,0,0|1,1,1]=4 31 B5R0.1 COCC(C)O CS20249 [1,0,0,0,0,0|0,1,2]=4 32 B5R0.1 COCC(C)O CS20309 [1,0,0,0,0,0|0,1,2]=4 33 B5R0.1 COCC(C)O CS20741 [1,0,0,0,0,0|0,1,2]=4 34 B5R0.1 COCC(N)=O MC41924 [1,0,0,0,0,0|1,1,0]=3 35 B5R0.1 COCC(N)=S MC102255 [1,0,0,0,0,0|1,2,0]=4 36 B5R0.1 CSCC(=O)Cl MC106201 [1,0,0,0,0,0|1,0,0]=2 37 B5R0.1 CSCC(N)=O CS12608 [1,0,0,0,0,0|1,0,0]=2 38 B5R0.1 C\C=C\C(=O)O MC41882 [1,0,0,0,0,0|1,0,1]=3 39 B5R0.1 N#CCC(=O)O MC41881 [1,0,0,0,0,0|2,0,0]=3 40 B5R0.1 N#CCC(N)=O CS18594 [1,0,0,0,0,0|3,0,0]=4 41 B5R0.1 NCCC(=O)O CS13499 [1,0,0,0,0,0|2,0,0]=3 42 B5R0.1 NCCC(N)=O MC436150 [1,0,0,0,0,0|3,0,0]=4 43 B5R0.1 O=C(O)CCO MC20638 [1,0,0,0,0,0|2,0,0]=3 44 B5R0.2 CNCCNC CS15116 [1,0,0,0,0,0|2,0,1]=4 45 B5R0.2 CNCCOC MC427349 [1,0,0,0,0,0|1,0,1]=3 46 B5R0.2 COCCC#N CS22345 [1,0,0,0,0,0|2,0,1]=4 47 B5R0.2 COCCCBr CS20649 [1,0,0,0,0,0|2,0,1]=4 48 B5R0.2 COCCCO CS20039 [1,0,0,0,0,0|2,0,1]=4 49 B5R0.2 COCCNN MC103229 [1,0,0,0,0,0|2,0,1]=4 50 B5R0.2 COCCNN MC107041 [1,0,0,0,0,0|2,0,1]=4 51 B5R0.2 COCCOC MC41899 [1,0,0,0,0,0|0,1,1]=3 52 B5R0.2 COCCOC MC445008 [1,0,0,0,0,0|0,1,1]=3 53 B5R0.2 C\C=C\C[Pd]Cl MC444919 [1,0,0,0,0,0|3,0,0]=4 54 B5R0.3 CNC(=O)CCl MC21094 [1,0,0,0,0,0|2,0,0]=3 55 B5R0.3 CNC(=O)CN MC437710 [1,0,0,0,0,0|2,0,0]=3 56 B5R0.3 COC(=O)CN CS15045 [1,0,0,0,0,0|1,0,0]=2 57 B5R0.3 COC(=O)CO CS19433 [1,0,0,0,0,0|0,1,0]=2 58 B5R0.3 COC(=O)CS MC20578 [1,0,0,0,0,0|0,0,0]=1 59 B5R0.3 COC(=O)NN MC20825 [1,0,0,0,0,0|2,0,0]=3 60 B5R0.3 COC(C)CN CS17733 [1,0,0,0,0,0|2,0,1]=4 61 B5R0.3 COC(C)CO CS12306 [1,0,0,0,0,0|1,1,1]=4 62 B5R0.3 O=C(CO)CO CS11245 [1,0,0,0,0,0|2,1,0]=4 63 B5R0.3 O=CC(=O)CO MC427604 [1,0,0,0,0,0|2,1,0]=4 64 B7R0.2 CCC(=O)CC(C)=O CS21124 [0,1,0,0,0,0|2,0,0]=3 65 B7R0.2 CCC(=O)OC(C)=O CS16382 [0,1,0,0,0,0|3,0,0]=4 66 B7R0.2 COC(=O)CC(=O)O CS13436 [0,1,0,0,0,0|2,0,0]=3 67 B7R0.2 COC(=O)CC(=O)[O-] MC41937 [0,1,0,0,0,0|2,0,0]=3 68 B7R0.2 COC(=O)CC(C)=O MC41927 [0,1,0,0,0,0|1,0,0]=2 69 B7R0.2 COC(=O)CC(C)O CS11584 [0,1,0,0,0,0|1,0,0]=2 70 B7R0.2 COC(=O)C[N+](=O)[O-] MC41932 [0,1,0,0,0,0|2,0,0]=3 71 B7R0.2 COC(=O)\C=C(/C)N CS13690 [0,1,0,0,0,0|1,0,1]=3 72 B7R0.3 C#CCCC(=O)OC MC424002 [0,1,0,0,0,0|1,0,1]=3 73 B7R0.3 COC(=O)CCC=O MC21172 [0,1,0,0,0,0|1,0,1]=3 74 B7R0.3 COC(=O)CCCBr MC427387 [0,1,0,0,0,0|1,0,0]=2 75 B7R0.3 COC(=O)CCCN MC439309 [0,1,0,0,0,0|1,0,0]=2 76 B7R0.3 COC(=O)CN=[N+]=[N-] MC428311 [0,1,0,0,0,0|2,0,0]=3 77 B7R0.3 COC(=O)\C=C\CBr CS13509 [0,1,0,0,0,0|1,0,1]=3 78 B7R0.3 COCCC(=O)NN MC111753 [0,1,0,0,0,0|2,1,0]=4 79 B7R0.3 CO\C=C\C(=O)OC CS11630 [0,1,0,0,0,0|0,1,1]=3 80 B7R0.5 CC(C)C(=O)CC#N MC41933 [0,1,0,0,0,0|3,0,0]=4 81 B7R0.5 CCOC(=O)C(C)C CS11388 [0,1,0,0,0,0|3,0,0]=4 82 B7R0.5 CCOC(=O)C(C)F MC439605 [0,1,0,0,0,0|3,0,0]=4 83 B7R0.5 CCOC(=O)C(C)N CS15404 [0,1,0,0,0,0|3,0,0]=4 84 B7R0.5 CCOC(=O)C(C)N MC436160 [0,1,0,0,0,0|3,0,0]=4 85 B7R0.5 CCOC(=O)C(C)O CS20075 [0,1,0,0,0,0|3,0,0]=4 86 B7R0.5 CNCC(=O)N(C)C MC438152 [0,1,0,0,0,0|2,0,0]=3 87 B7R0.7 CC#CC(=O)OCC CS10117 [0,1,0,0,0,0|1,0,1]=3 88 B7R0.7 CCOC(=O)CC#N MC41911 [0,1,0,0,0,0|2,0,0]=3 89 B7R0.7 CCOC(=O)CCN CS14330 [0,1,0,0,0,0|2,0,0]=3 90 B7R0.7 CCOC(=O)CNC CS17068 [0,1,0,0,0,0|1,0,0]=2 91 B7R0.7 CCOC(=O)CNN CS19987 [0,1,0,0,0,0|2,0,0]=3 92 B7R0.7 CCOC(=O)COC CS11389 [0,1,0,0,0,0|0,1,0]=2 93 B7R0.7 COCC(N)COC CS21215 [0,1,0,0,0,0|1,1,1]=4 94 B7R0.7 O=C(CCCl)CCCl CS19912 [0,1,0,0,0,0|3,0,0]=4 95 B7R0.10 C=C(CBr)C(=O)OC CS11592 [0,1,0,0,0,0|2,0,1]=4 96 B7R0.10 C=C(CO)C(=O)OC CS12335 [0,1,0,0,0,0|2,0,1]=4 97 B7R0.10 CCC(Br)C(=O)OC CS14136 [0,1,0,0,0,0|1,0,0]=2 98 B7R0.10 CCC(N)C(=O)OC MC436010 [0,1,0,0,0,0|1,0,0]=2 99 B7R0.10 CNC(C)C(=O)OC MC437898 [0,1,0,0,0,0|1,0,0]=2 100 B7R0.10 COC(=O)C(=O)CBr CS15824 [0,1,0,0,0,0|2,0,1]=4 101 B7R0.10 COC(=O)C(C)CBr MC428281 [0,1,0,0,0,0|2,0,0]=3 102 B7R0.10 COC(=O)C(F)CO CS17081 [0,1,0,0,0,0|2,0,0]=3 103 B7R0.10 COC(=O)C(N)CCl CS22615 [0,1,0,0,0,0|2,0,0]=3 104 B7R0.10 COC(=O)C(N)CCl MC418493 [0,1,0,0,0,0|2,0,0]=3 105 B7R0.10 COC(=O)C(N)CCl MC436854 [0,1,0,0,0,0|2,0,0]=3 106 B7R0.10 COC(=O)C(N)CO CS16778 [0,1,0,0,0,0|2,0,0]=3 107 B7R0.10 COC(=O)C(N)CO CS16785 [0,1,0,0,0,0|2,0,0]=3 108 B7R0.10 COC(=O)C(N)CO CS22621 [0,1,0,0,0,0|2,0,0]=3 109 B7R0.10 COC(=O)C(N)CS CS13863 [0,1,0,0,0,0|2,0,0]=3 110 B7R0.10 COC(=O)C(N)CS MC110561 [0,1,0,0,0,0|2,0,0]=3 111 B7R0.10 COC(=O)C(O)CO MC429048 [0,1,0,0,0,0|2,0,0]=3 112 B7R0.12 COC(CSC)OC MC10796 [0,1,0,0,0,0|0,0,2]=3 113 B7R1.1 COC1=CSC=C1 CS22351 [0,0,0,1,0,0|1,0,2]=4 114 B7R1.1 COC1=NCCC1 CS10423 [0,0,0,1,0,0|2,0,0]=3 115 B7R1.1 COC1CCCN1 MC41692 [0,0,0,1,0,0|2,0,1]=4 116 B7R1.1 COC1CCNC1 CS12136 [0,0,0,1,0,0|2,0,1]=4 117 B7R1.1 COC1CCNC1 CS12137 [0,0,0,1,0,0|2,0,1]=4 118 B7R1.1 COC1CCNC1 CS22350 [0,0,0,1,0,0|2,0,1]=4 119 B7R1.2 CC1=CC(=O)CC1 CS22356 [0,0,0,1,0,0|2,0,1]=4 120 B7R1.2 CC1=NC(C)CO1 MC428186 [0,0,0,1,0,0|3,0,0]=4 121 B7R1.2 CC1=NNC(=O)C1 CS16242 [0,0,0,1,0,0|3,0,0]=4 122 B7R1.2 CC1COC(=O)N1 CS14300 [0,0,0,1,0,0|2,0,0]=3 123 B7R1.2 CC1COC(=O)O1 MC428298 [0,0,0,1,0,0|2,0,0]=3 124 B7R1.2 CN1CCC(=O)C1 CS20760 [0,0,0,1,0,0|2,0,0]=3 125 B7R1.2 NC1CNC(=O)C1 MC103473 [0,0,0,1,0,0|3,0,0]=4 126 B7R1.2 NC1COC(=O)C1 CS14340 [0,0,0,1,0,0|2,0,0]=3 127 B7R1.2 NC1COC(=O)C1 CS14674 [0,0,0,1,0,0|2,0,0]=3 128 B7R1.2 O=C1CC(O)CN1 CS14706 [0,0,0,1,0,0|3,0,0]=4 129 B7R1.2 O=C1CC(O)CN1 CS16472 [0,0,0,1,0,0|3,0,0]=4 130 B7R1.2 O=C1CCC(I)C1 MC115016 [0,0,0,1,0,0|3,0,0]=4 131 B7R1.2 O=C1CNC(=O)C1 MC116520 [0,0,0,1,0,0|3,0,0]=4 132 B7R1.3 CC1CNCCO1 CS14515 [0,0,0,1,0,0|2,0,1]=4 133 B7R1.3 CC1CNCCO1 CS14521 [0,0,0,1,0,0|2,0,1]=4 134 B7R1.3 CC1CNCCO1 CS19299 [0,0,0,1,0,0|2,0,1]=4 135 B7R1.3 CC1CNCCO1 CS21692 [0,0,0,1,0,0|2,0,1]=4 136 B7R1.3 CC1CNCCO1 MC444038 [0,0,0,1,0,0|2,0,1]=4 137 B7R1.3 CC1CNCCO1 MC444192 [0,0,0,1,0,0|2,0,1]=4 138 B7R1.3 O=C1C=CCCC1 MC41883 [0,0,0,1,0,0|2,0,1]=4 139 B7R1.3 O=C1C=CCCN1 CS15771 [0,0,0,1,0,0|2,0,1]=4 140 B7R1.3 O=C1C=CCOC1 CS17023 [0,0,0,1,0,0|1,1,1]=4 141 B7R1.3 O=C1CCCCN1 MC429045 [0,0,0,1,0,0|2,0,0]=3 142 B7R1.3 O=C1CCCCO1 CS11208 [0,0,0,1,0,0|1,0,0]=2 143 B7R1.3 O=C1CCCNC1 CS14768 [0,0,0,1,0,0|2,0,0]=3 144 B7R1.3 O=C1CCCNC1 CS17767 [0,0,0,1,0,0|2,0,0]=3 145 B7R1.3 O=C1CCCOC1 MC31097 [0,0,0,1,0,0|1,1,0]=3 146 B7R1.3 O=C1CCNCC1 CS22790 [0,0,0,1,0,0|3,0,0]=4 147 B7R1.3 O=C1CCOCC1 CS13380 [0,0,0,1,0,0|3,0,0]=4 148 B7R1.3 O=C1CCSCC1 CS18797 [0,0,0,1,0,0|3,0,0]=4 149 B7R1.3 O=C1CNCCN1 CS19142 [0,0,0,1,0,0|2,0,0]=3 150 B7R1.3 O=C1CNCCO1 MC441004 [0,0,0,1,0,0|1,0,0]=2 151 B7R1.3 O=C1COCCN1 CS11697 [0,0,0,1,0,0|1,1,0]=3 152 B7R1.3 O=C1COCCO1 MC20725 [0,0,0,1,0,0|0,1,0]=2 153 B7R1.4 CC1OCCC1=O CS14135 [0,0,0,1,0,0|3,0,0]=4 154 B7R1.4 CN1CCCC1=O MC41699 [0,0,0,1,0,0|2,0,0]=3 155 B7R1.4 CN1N=CCC1=O CS15601 [0,0,0,1,0,0|3,0,0]=4 156 B7R1.4 O=C1CCCC1Br MC445112 [0,0,0,1,0,0|3,0,0]=4 157 B7R1.8 O=C1CCC1CO MC104211 [0,0,0,1,0,0|3,0,0]=4 158 B7R1.8 O=C1CCC1CO MC104212 [0,0,0,1,0,0|3,0,0]=4 159 B7R1.8 O=C1CCC1CO MC104213 [0,0,0,1,0,0|3,0,0]=4 160 B7R1.22 COC(=O)C1CC1 MC41839 [0,0,0,1,0,0|1,0,0]=2 161 B7R1.22 O=C(CBr)C1CC1 MC433212 [0,0,0,1,0,0|3,0,0]=4 162 B7R1.25 COC1(C)CNC1 MC112993 [0,0,0,1,0,0|2,0,1]=4 163 B4R0.1 C#CC(=O)O MC428031 [2,0,0,0,0,0|0,0,2]=4 164 B4R0.1 CC(=O)CBr MC20986 [2,0,0,0,0,0|1,0,0]=3 165 B4R0.1 CC(=O)CN CS10921 [2,0,0,0,0,0|1,0,0]=3 166 B4R0.1 CC(=O)CO CS11467 [2,0,0,0,0,0|0,1,0]=3 167 B4R0.1 CC(=O)NN CS10881 [2,0,0,0,0,0|2,0,0]=4 168 B4R0.1 CC(=O)NO CS14961 [2,0,0,0,0,0|1,1,0]=4 169 B4R0.1 CCB(O)O CS13979 [2,0,0,0,0,0|1,0,1]=4 170 B4R0.1 CCC(C)O MC10786 [2,0,0,0,0,0|0,0,2]=4 171 B4R0.1 CCC(N)=O CS11886 [2,0,0,0,0,0|1,0,0]=3 172 B4R0.1 CNC(N)=O MC10792 [2,0,0,0,0,0|2,0,0]=4 173 B4R0.1 COC(N)=O CS11667 [2,0,0,0,0,0|1,0,0]=3 174 B4R0.1 COC(N)=[NH2+] CS11820 [2,0,0,0,0,0|2,0,0]=4 175 B4R0.1 CSC(=N)N MC41956 [2,0,0,0,0,0|2,0,0]=4 176 B4R0.1 C\C=C(/C)Br MC10255 [2,0,0,0,0,0|1,0,1]=4 177 B4R0.1 NC(=O)CBr CS21389 [2,0,0,0,0,0|2,0,0]=4 178 B4R0.1 NCC(=O)O CS19951 [2,0,0,0,0,0|1,0,0]=3 179 B4R0.1 NCC(=O)[O-] CS10910 [2,0,0,0,0,0|1,0,1]=4 180 B4R0.1 NCC(=O)[O-] MC20522 [2,0,0,0,0,0|1,0,1]=4 181 B4R0.1 NCC(N)=O CS13806 [2,0,0,0,0,0|2,0,0]=4 182 B4R0.1 NCC(N)=O MC437712 [2,0,0,0,0,0|2,0,0]=4 183 B4R0.1 O=C(Cl)CBr MC21000 [2,0,0,0,0,0|2,0,0]=4 184 B4R0.1 O=C(O)CCl MC41871 [2,0,0,0,0,0|1,0,0]=3 185 B4R0.1 O=C(O)CO CS19334 [2,0,0,0,0,0|0,1,0]=3 186 B4R0.1 O=C([O-])CCl MC41872 [2,0,0,0,0,0|1,0,1]=4 187 B4R0.2 CCCC=O MC41868 [2,0,0,0,0,0|1,0,0]=3 188 B4R0.2 CCCCO MC41869 [2,0,0,0,0,0|1,0,1]=4 189 B4R0.2 CCNCC CS11240 [2,0,0,0,0,0|2,0,0]=4 190 B4R0.2 CCOC=O MC41912 [2,0,0,0,0,0|2,0,0]=4 191 B4R0.2 CCOCC MC41960 [2,0,0,0,0,0|2,0,0]=4 192 B4R0.2 CC[Zn]CC MC10752 [2,0,0,0,0,0|2,0,0]=4 193 B4R0.2 CNCCO CS20910 [2,0,0,0,0,0|1,0,1]=4 194 B4R0.2 COCC#N MC40783 [2,0,0,0,0,0|2,0,0]=4 195 B4R0.2 COCCCl MC428007 [2,0,0,0,0,0|1,0,1]=4 196 B4R0.2 C\C=C\C=O MC41879 [2,0,0,0,0,0|1,0,1]=4 197 B6R0.2 CC(=O)\C=C(/C)N MC105899 [1,1,0,0,0,0|1,0,1]=4 198 B6R0.2 CC(Br)CC(=O)O MC106689 [1,1,0,0,0,0|1,0,0]=3 199 B6R0.2 CC(C)=CC(=O)O CS14947 [1,1,0,0,0,0|1,0,1]=4 200 B6R0.2 CC(N)CC(=O)O CS19028 [1,1,0,0,0,0|1,0,0]=3 201 B6R0.2 CC(N)CC(=O)O CS20346 [1,1,0,0,0,0|1,0,0]=3 202 B6R0.2 CC(N)CC(=O)O MC439098 [1,1,0,0,0,0|1,0,0]=3 203 B6R0.2 CC(O)CC(=O)O MC426020 [1,1,0,0,0,0|1,0,0]=3 204 B6R0.2 CC(O)CC(=O)O MC426021 [1,1,0,0,0,0|1,0,0]=3 205 B6R0.2 CC(O)CC(=O)[O-] CS20253 [1,1,0,0,0,0|1,0,1]=4 206 B6R0.2 CN(C)CC(=O)O CS13413 [1,1,0,0,0,0|1,0,0]=3 207 B6R0.2 NC([SeH])CC(=O)O MC435590 [1,1,0,0,0,0|2,0,0]=4 208 B6R0.2 NC([SeH])CC(=O)O MC435591 [1,1,0,0,0,0|2,0,0]=4 209 B6R0.2 O=C(O)CC(=O)O MC41922 [1,1,0,0,0,0|2,0,0]=4 210 B6R0.2 O=C(O)CC(=O)O MC41938 [1,1,0,0,0,0|2,0,0]=4 211 B6R0.3 C=CC(N)C(=O)O MC21080 [1,1,0,0,0,0|1,0,1]=4 212 B6R0.3 CC(CN)C(=O)O MC105846 [1,1,0,0,0,0|2,0,0]=4 213 B6R0.3 CC(CN)C(=O)O MC105847 [1,1,0,0,0,0|2,0,0]=4 214 B6R0.3 CCC(=O)C(=O)O CS21626 [1,1,0,0,0,0|1,0,1]=4 215 B6R0.3 CCC(Br)C(=O)O MC426015 [1,1,0,0,0,0|1,0,0]=3 216 B6R0.3 CCC(Cl)C(=O)O MC426016 [1,1,0,0,0,0|1,0,0]=3 217 B6R0.3 CCC(N)C(=O)O CS13661 [1,1,0,0,0,0|1,0,0]=3 218 B6R0.3 CCC(N)C(=O)O CS14054 [1,1,0,0,0,0|1,0,0]=3 219 B6R0.3 CCC(N)C(=O)O CS14084 [1,1,0,0,0,0|1,0,0]=3 220 B6R0.3 CCC(N)C(N)=O CS15891 [1,1,0,0,0,0|2,0,0]=4 221 B6R0.3 CCC(N)C(N)=O MC436006 [1,1,0,0,0,0|2,0,0]=4 222 B6R0.3 CNC(C)C(=O)O MC428068 [1,1,0,0,0,0|1,0,0]=3 223 B6R0.3 CNC(C)C(=O)O MC428076 [1,1,0,0,0,0|1,0,0]=3 224 B6R0.3 CNC(C)C(=O)O MC428084 [1,1,0,0,0,0|1,0,0]=3 225 B6R0.3 COC(C)C(=O)O CS14024 [1,1,0,0,0,0|0,1,0]=3 226 B6R0.3 COC(C)C(=O)O MC425243 [1,1,0,0,0,0|0,1,0]=3 227 B6R0.3 CON(C)C(C)=O CS11789 [1,1,0,0,0,0|1,1,0]=4 228 B6R0.3 NC(CCl)C(=O)O MC436849 [1,1,0,0,0,0|2,0,0]=4 229 B6R0.3 NC(CCl)C(=O)O MC436850 [1,1,0,0,0,0|2,0,0]=4 230 B6R0.3 NC(CCl)C(=O)O MC436851 [1,1,0,0,0,0|2,0,0]=4 231 B6R0.3 NC(CCl)C(=O)O MC436852 [1,1,0,0,0,0|2,0,0]=4 232 B6R0.3 NC(CF)C(=O)O MC437009 [1,1,0,0,0,0|2,0,0]=4 233 B6R0.3 NC(CO)C(=O)O CS14731 [1,1,0,0,0,0|2,0,0]=4 234 B6R0.3 NC(CO)C(=O)O CS18949 [1,1,0,0,0,0|2,0,0]=4 235 B6R0.3 NC(CO)C(=O)O CS19144 [1,1,0,0,0,0|2,0,0]=4 236 B6R0.3 NC(CS)C(=O)O CS19113 [1,1,0,0,0,0|2,0,0]=4 237 B6R0.3 NC(CS)C(=O)O CS19417 [1,1,0,0,0,0|2,0,0]=4 238 B6R0.3 NC(CS)C(=O)O CS19655 [1,1,0,0,0,0|2,0,0]=4 239 B6R0.3 NC(CS)C(=O)O MC428046 [1,1,0,0,0,0|2,0,0]=4 240 B6R0.3 NC(CS)C(=O)O MC436887 [1,1,0,0,0,0|2,0,0]=4 241 B6R0.3 NC(CS)C(=O)O MC436888 [1,1,0,0,0,0|2,0,0]=4 242 B6R0.3 NC(CS)C(=O)O MC439001 [1,1,0,0,0,0|2,0,0]=4 243 B6R0.3 NC(C[SeH])C(=O)O MC435423 [1,1,0,0,0,0|2,0,0]=4 244 B6R0.3 NCC(N)C(=O)O CS14756 [1,1,0,0,0,0|2,0,0]=4 245 B6R0.3 NCC(N)C(=O)O CS19624 [1,1,0,0,0,0|2,0,0]=4 246 B6R0.3 NCC(N)C(=O)O CS19672 [1,1,0,0,0,0|2,0,0]=4 247 B6R0.3 NCC(O)C(=O)O CS20294 [1,1,0,0,0,0|2,0,0]=4 248 B6R0.3 NCC(O)C(=O)O MC437816 [1,1,0,0,0,0|2,0,0]=4 249 B6R0.3 O=C(O)C(Br)CBr CS15215 [1,1,0,0,0,0|2,0,0]=4 250 B6R0.3 O=C(O)C(O)CCl MC10790 [1,1,0,0,0,0|2,0,0]=4 251 B6R0.4 C#CCCC(=O)O MC428029 [1,1,0,0,0,0|1,0,1]=4 252 B6R0.4 C=CCCC(=O)O CS15216 [1,1,0,0,0,0|1,0,1]=4 253 B6R0.4 CC(=O)CCCBr CS10305 [1,1,0,0,0,0|1,0,0]=3 254 B6R0.4 CC(=O)CCCCl CS10334 [1,1,0,0,0,0|1,0,0]=3 255 B6R0.4 CC(=O)NCCCl MC33011 [1,1,0,0,0,0|2,0,0]=4 256 B6R0.4 CCCCC(=O)Cl MC40508 [1,1,0,0,0,0|2,0,0]=4 257 B6R0.4 CO\C=C\C(C)=O MC33352 [1,1,0,0,0,0|0,1,1]=4 258 B6R0.4 N#CCCC(=O)O CS22262 [1,1,0,0,0,0|1,0,1]=4 259 B6R0.4 NCCCC(=O)O CS14998 [1,1,0,0,0,0|1,0,0]=3 260 B6R0.4 NCCCC(N)=O MC112262 [1,1,0,0,0,0|2,0,0]=4 261 B6R0.4 O=C(Cl)CCCCl MC40450 [1,1,0,0,0,0|2,0,0]=4 262 B6R0.4 O=C(O)CCCBr CS14053 [1,1,0,0,0,0|1,0,0]=3 263 B6R0.5 CCCS(=O)(=O)O MC32073 [1,1,0,0,0,0|2,0,0]=4 264 B6R0.5 CNCP(=O)(O)O MC101885 [1,1,0,0,0,0|2,0,0]=4 265 B6R0.6 COCCCCBr CS22933 [1,1,0,0,0,0|1,0,1]=4 266 B6R0.6 COCCCCCl MC428014 [1,1,0,0,0,0|1,0,1]=4 267 B6R0.8 COS(=O)(=O)OC MC41901 [1,1,0,0,0,0|1,1,0]=4 268 B8R0.2 CNC(=O)C(N)C(C)O MC435234 [0,2,0,0,0,0|2,0,0]=4 269 B8R0.2 COC(=O)C(Br)C(C)C CS11601 [0,2,0,0,0,0|1,0,0]=3 270 B8R0.2 COC(=O)C(N)C(C)C CS13949 [0,2,0,0,0,0|1,0,0]=3 271 B8R0.2 COC(=O)C(N)C(C)C CS22265 [0,2,0,0,0,0|1,0,0]=3 272 B8R0.2 COC(=O)C(N)C(C)C MC438304 [0,2,0,0,0,0|1,0,0]=3 273 B8R0.2 COC(=O)C(N)C(C)C MC439083 [0,2,0,0,0,0|1,0,0]=3 274 B8R0.2 COC(=O)C(N)C(C)O CS15233 [0,2,0,0,0,0|1,0,0]=3 275 B8R0.2 COC(=O)C(N)C(C)O CS17112 [0,2,0,0,0,0|1,0,0]=3 276 B8R0.2 COC(=O)C(N)C(C)O CS17155 [0,2,0,0,0,0|1,0,0]=3 277 B8R0.2 COC(=O)C(N)C(C)O MC438205 [0,2,0,0,0,0|1,0,0]=3 278 B8R0.2 COC(=O)C(N)C(C)O MC438206 [0,2,0,0,0,0|1,0,0]=3 279 B8R0.5 CC(C)OC(=O)OCCl CS19003 [0,2,0,0,0,0|2,0,0]=4 280 B8R0.5 CCOC(=O)C=C(C)C CS11345 [0,2,0,0,0,0|1,0,1]=4 281 B8R0.5 CCOC(=O)CC(=N)N MC41916 [0,2,0,0,0,0|2,0,0]=4 282 B8R0.5 CCOC(=O)CC(=O)Cl MC20855 [0,2,0,0,0,0|2,0,0]=4 283 B8R0.5 CCOC(=O)CC(C)=O MC41905 [0,2,0,0,0,0|1,0,0]=3 284 B8R0.5 CCOC(=O)CC(C)O CS11353 [0,2,0,0,0,0|1,0,0]=3 285 B8R0.5 CCOC(=O)CC(C)O CS18545 [0,2,0,0,0,0|1,0,0]=3 286 B8R0.5 CCOC(=O)CC(N)=O CS18301 [0,2,0,0,0,0|2,0,0]=4 287 B8R0.5 CCOC(=O)C[N+](=O)[O-] CS22612 [0,2,0,0,0,0|2,0,0]=4 288 B8R0.5 CCOC(=O)OC(C)Cl CS20668 [0,2,0,0,0,0|2,0,0]=4 289 B8R0.5 CCOC(=O)\C=C(/C)N CS15795 [0,2,0,0,0,0|1,0,1]=4 290 B8R0.19 CCC(=O)CC(=O)CC CS22007 [0,2,0,0,0,0|2,0,0]=4 291 B8R0.19 CCC(=O)CC(=O)OC CS18389 [0,2,0,0,0,0|1,0,0]=3 292 B8R0.19 COC(=O)CC(=O)CCl MC20592 [0,2,0,0,0,0|1,0,0]=3 293 B8R0.19 COC(=O)CC(O)CCl CS18252 [0,2,0,0,0,0|1,0,0]=3 294 B8R0.23 CC(=O)CC(=O)C(C)C MC41930 [0,2,0,0,0,0|2,0,0]=4 295 B8R0.1 C#CCCC(=O)OCC MC424003 [0,2,0,0,0,0|1,0,1]=4 296 B8R0.1 CCOC(=O)CCCO MC111642 [0,2,0,0,0,0|1,0,0]=3 297 B8R0.1 CCOC(=O)CN=C=O MC41055 [0,2,0,0,0,0|1,0,1]=4 298 B8R0.1 CCOC(=O)\C=C\CO MC103341 [0,2,0,0,0,0|1,0,1]=4 299 B8R0.3 C#CCC(N)C(=O)OC MC438113 [0,2,0,0,0,0|1,0,1]=4 300 B8R0.3 CCCC(N)C(=O)OC MC438026 [0,2,0,0,0,0|1,0,0]=3 301 B8R0.3 CCNC(=O)C(N)CC MC116564 [0,2,0,0,0,0|2,0,0]=4 302 B8R0.3 CCNC(=O)C(N)CC MC116565 [0,2,0,0,0,0|2,0,0]=4 303 B8R0.3 CCOC(=O)C(=O)CC CS13439 [0,2,0,0,0,0|1,0,1]=4 304 B8R0.3 CCOC(=O)C(C)C#N CS21515 [0,2,0,0,0,0|2,0,0]=4 305 B8R0.3 CCOC(=O)C(Cl)C=O MC444619 [0,2,0,0,0,0|2,0,0]=4 306 B8R0.3 CCOC(=O)C(N)C#N MC425578 [0,2,0,0,0,0|2,0,0]=4 307 B8R0.3 CCOC(=O)C(N)CO CS13449 [0,2,0,0,0,0|2,0,0]=4 308 B8R0.3 CCOC(=O)C(N)CO CS17107 [0,2,0,0,0,0|2,0,0]=4 309 B8R0.3 CCOC(=O)C(N)CO MC439193 [0,2,0,0,0,0|2,0,0]=4 310 B8R0.3 CCOC(=O)C(N)CS CS16176 [0,2,0,0,0,0|2,0,0]=4 311 B8R0.3 COC(=O)C(Br)CCBr MC41887 [0,2,0,0,0,0|1,0,0]=3 312 B8R0.3 COC(=O)C(C)NC=O MC437638 [0,2,0,0,0,0|1,0,1]=4 313 B8R0.3 CO\C=C(\I)C(=O)OC MC102977 [0,2,0,0,0,0|0,1,1]=4 314 B8R0.6 CCCSCC(=O)OC MC434048 [0,2,0,0,0,0|0,0,0]=2 315 B8R0.6 C\C=C\C=C\C(=O)OC MC446659 [0,2,0,0,0,0|1,0,1]=4 316 B8R0.8 CN(C)C(=O)CCCN MC112306 [0,2,0,0,0,0|2,0,0]=4 317 B8R0.9 CNC(=O)CNC(C)=O MC436060 [0,2,0,0,0,0|2,0,0]=4 318 B8R0.9 COC(=O)CCC(=O)O CS11694 [0,2,0,0,0,0|1,0,1]=4 319 B8R0.9 COC(=O)CCS(=O)[O-] CS11954 [0,2,0,0,0,0|1,0,1]=4 320 B8R0.13 COC(=O)C(C)(C)CO CS11468 [0,2,0,0,0,0|2,0,0]=4 321 B8R0.20 CNC(CO)C(=O)OC MC435501 [0,2,0,0,0,0|1,0,0]=3 322 B8R0.20 CNC(CO)C(=O)OC MC435502 [0,2,0,0,0,0|1,0,0]=3 323 B8R0.20 COC(=O)C(CN)CN MC115963 [0,2,0,0,0,0|2,0,0]=4 324 B6R1.2 CC1=NCCC1 CS21664 [1,0,0,1,0,0|2,0,0]=4 325 B6R1.2 O=C1CCCC1 MC21085 [1,0,0,1,0,0|1,0,0]=3 326 B6R1.2 O=C1CCNC1 CS22412 [1,0,0,1,0,0|1,0,0]=3 327 B6R1.2 O=C1CCOC1 CS18178 [1,0,0,1,0,0|0,1,0]=3 328 B6R1.2 O=C1CCSC1 MC20305 [1,0,0,1,0,0|0,0,0]=2 329 B6R1.2 O=C1CNCN1 CS15654 [1,0,0,1,0,0|2,0,0]=4 330 B6R1.2 O=C1OCCO1 CS20012 [1,0,0,1,0,0|2,0,0]=4 331 B6R1.5 NC1CC(=O)C1 MC444232 [1,0,0,1,0,0|2,0,0]=4 332 B6R1.5 O=C1CC(F)C1 MC104154 [1,0,0,1,0,0|2,0,0]=4 333 B6R1.10 CC1(N)CSC1 MC113158 [1,0,0,1,0,0|1,0,1]=4 334 B6R1.11 NC(=O)C1CC1 CS16456 [1,0,0,1,0,0|2,0,0]=4 335 B6R1.11 O=C(Cl)C1CC1 MC434039 [1,0,0,1,0,0|2,0,0]=4 336 B6R1.11 O=C(O)C1CC1 CS13839 [1,0,0,1,0,0|1,0,0]=3 337 B6R1.11 O=C([O-])C1CO1 CS17514 [1,0,0,1,0,0|0,1,1]=4 338 B6R1.1 C1=CCNCC1 MC444071 [1,0,0,1,0,0|2,0,0]=4 339 B6R1.1 C1=CCOCC1 MC427315 [1,0,0,1,0,0|1,1,0]=4 340 B6R1.1 C1=CCSCC1 MC427366 [1,0,0,1,0,0|1,0,0]=3 341 B6R1.1 C1=COCCC1 MC20500 [1,0,0,1,0,0|1,0,1]=4 342 B6R1.1 C1COCCN1 MC20726 [1,0,0,1,0,0|1,0,1]=4 343 B6R1.1 C1CSCCN1 MC20759 [1,0,0,1,0,0|1,0,1]=4 344 B6R1.6 CNC1COC1 MC425340 [1,0,0,1,0,0|1,0,1]=4 345 B6R1.6 CNC1COC1 MC444120 [1,0,0,1,0,0|1,0,1]=4 346 B6R1.6 COC1CNC1 CS17370 [1,0,0,1,0,0|1,0,1]=4 347 B8R1.1 NCC1CNC(=O)C1 MC101927 [0,1,0,1,0,0|2,0,0]=4 348 B8R1.1 NCC1CNC(=O)C1 MC105678 [0,1,0,1,0,0|2,0,0]=4 349 B8R1.1 NCC1CNC(=O)C1 MC121239 [0,1,0,1,0,0|2,0,0]=4 350 B8R1.1 NCC1COC(=O)N1 MC104254 [0,1,0,1,0,0|2,0,0]=4 351 B8R1.1 O=C1CC(CF)CO1 MC10217 [0,1,0,1,0,0|1,0,0]=3 352 B8R1.1 O=C1NC(CO)CO1 MC427148 [0,1,0,1,0,0|2,0,0]=4 353 B8R1.4 CC1CC(=O)CCN1 MC101989 [0,1,0,1,0,0|2,0,0]=4 354 B8R1.4 CC1CC(=O)CCN1 MC103769 [0,1,0,1,0,0|2,0,0]=4 355 B8R1.4 CC1CC(=O)CCN1 MC444193 [0,1,0,1,0,0|2,0,0]=4 356 B8R1.4 CC1CC(=O)CCO1 MC103799 [0,1,0,1,0,0|2,0,0]=4 357 B8R1.4 CC1CC(=O)CCO1 MC103800 [0,1,0,1,0,0|2,0,0]=4 358 B8R1.4 CC1CC(=O)CCO1 MC31001 [0,1,0,1,0,0|2,0,0]=4 359 B8R1.4 CC1CNCC(=O)N1 MC103795 [0,1,0,1,0,0|2,0,0]=4 360 B8R1.4 CC1CNCC(=O)N1 MC104244 [0,1,0,1,0,0|2,0,0]=4 361 B8R1.4 CC1CNCC(=O)N1 MC444027 [0,1,0,1,0,0|2,0,0]=4 362 B8R1.4 CN1CCNC(=O)C1 CS13438 [0,1,0,1,0,0|2,0,0]=4 363 B8R1.4 CN1CCOC(=O)C1 CS17566 [0,1,0,1,0,0|1,0,0]=3 364 B8R1.4 NC1CCNC(=O)C1 CS15459 [0,1,0,1,0,0|2,0,0]=4 365 B8R1.4 NC1CCNC(=O)C1 MC444313 [0,1,0,1,0,0|2,0,0]=4 366 B8R1.4 O=C1CCCC(=O)C1 CS19094 [0,1,0,1,0,0|2,0,0]=4 367 B8R1.4 O=C1CCCC(=O)O1 CS11243 [0,1,0,1,0,0|1,0,1]=4 368 B8R1.4 O=C1CCNC(=O)C1 CS18339 [0,1,0,1,0,0|2,0,0]=4 369 B8R1.18 CC1=C(C)OC(=O)O1 CS18029 [0,1,0,1,0,0|2,0,0]=4 370 B8R1.18 CC1=CC(=O)OC1O CS22773 [0,1,0,1,0,0|1,0,1]=4 371 B8R1.18 CC1=NN(C)C(=O)C1 CS17716 [0,1,0,1,0,0|2,0,0]=4 372 B8R1.18 CC1CC(=O)OC1=O MC440511 [0,1,0,1,0,0|1,0,1]=4 373 B8R1.18 CN1CC(N)CC1=O MC104828 [0,1,0,1,0,0|2,0,0]=4 374 B8R1.18 CN1CC(O)CC1=O MC111393 [0,1,0,1,0,0|2,0,0]=4 375 B8R1.51 CC1(C)CNC(=O)C1 CS22480 [0,1,0,1,0,0|2,0,0]=4 376 B8R1.83 COC(=O)C1CC1Br MC430638 [0,1,0,1,0,0|1,0,0]=3 377 B8R1.2 O=CC1=CCCOC1 CS10171 [0,1,0,1,0,0|1,1,0]=4 378 B8R1.3 CN1CCC(=O)CC1 CS18410 [0,1,0,1,0,0|2,0,0]=4 379 B8R1.3 NC1CCC(=O)CC1 CS22583 [0,1,0,1,0,0|2,0,0]=4 380 B8R1.3 NC1CCC(=O)NC1 MC113024 [0,1,0,1,0,0|2,0,0]=4 381 B8R1.3 NC1CCC(=O)NC1 MC444382 [0,1,0,1,0,0|2,0,0]=4 382 B8R1.3 O=C1CCC(O)CC1 CS22889 [0,1,0,1,0,0|2,0,0]=4 383 B8R1.5 CC1CCNCC1=O MC105562 [0,1,0,1,0,0|2,0,0]=4 384 B8R1.5 CC1CNCCC1=O MC106748 [0,1,0,1,0,0|2,0,0]=4 385 B8R1.5 CC1COCCC1=O MC425868 [0,1,0,1,0,0|1,1,0]=4 386 B8R1.5 CN1CCNCC1=O CS17040 [0,1,0,1,0,0|2,0,0]=4 387 B8R1.5 CN1CCNCC1=O CS18390 [0,1,0,1,0,0|2,0,0]=4 388 B8R1.5 NC1CCCNC1=O MC106744 [0,1,0,1,0,0|2,0,0]=4 389 B8R1.5 O=C1CCCCC1=O CS20486 [0,1,0,1,0,0|2,0,0]=4 390 B8R1.5 O=C1NCCCC1Br CS14644 [0,1,0,1,0,0|2,0,0]=4 391 B8R1.5 O=C1NCCCC1O CS19689 [0,1,0,1,0,0|2,0,0]=4 392 B8R1.5 O=C1OCCCC1O CS16147 [0,1,0,1,0,0|1,0,0]=3 393 B8R1.22 O=C1CCCNCC1 CS19096 [0,1,0,1,0,0|2,0,0]=4 394 B8R1.22 O=C1CCNCCN1 CS18857 [0,1,0,1,0,0|2,0,0]=4 395 B8R1.22 O=C1CCSCCN1 MC121122 [0,1,0,1,0,0|1,0,0]=3 396 B8R1.38 COC(=O)C1CNC1 CS13402 [0,1,0,1,0,0|1,0,0]=3 397 B8R1.38 COC(=O)C1COC1 MC100370 [0,1,0,1,0,0|0,1,0]=3 398 B8R1.50 O=C1OCC(O)C1Br MC113108 [0,1,0,1,0,0|2,0,0]=4 399 B8R1.39 COC(=O)C1(Br)CC1 CS14399 [0,1,0,1,0,0|1,0,0]=3 400 B8R1.39 COC(=O)C1(N)CC1 CS20598 [0,1,0,1,0,0|1,0,0]=3