0 B7R0.3 C#CCCC(=O)OC MC424002 [0,0,0,0,0,0|2,0,2]=4 1 B7R0.3 C=CCOC(=O)CCl MC428296 [0,0,0,0,0,0|1,0,2]=3 2 B7R0.3 CCC(O)CCCO MC116029 [0,0,0,0,0,0|2,0,2]=4 3 B7R0.3 COC(=O)CCC=O MC21172 [0,0,0,0,0,0|3,0,1]=4 4 B7R0.3 COC(=O)CCCBr MC427387 [0,0,0,0,0,0|3,0,0]=3 5 B7R0.3 COC(=O)CCCN MC439309 [0,0,0,0,0,0|3,0,0]=3 6 B7R0.3 COC(=O)\C=C\CBr CS13509 [0,0,0,0,0,0|3,0,1]=4 7 B7R0.3 COCCC(=O)NN MC111753 [0,0,0,0,0,0|4,0,0]=4 8 B7R0.3 CO\C=C\C(=O)OC CS11630 [0,0,0,0,0,0|3,0,1]=4 9 B6R0.1 C#CC(=O)OCC MC434052 [1,0,0,0,0,0|0,0,2]=3 10 B6R0.1 CCC(C)CCBr MC112369 [1,0,0,0,0,0|2,0,1]=4 11 B6R0.1 CCCC(=O)NN CS22544 [1,0,0,0,0,0|2,0,0]=3 12 B6R0.1 CCCC(C)CBr MC112368 [1,0,0,0,0,0|2,0,1]=4 13 B6R0.1 CCCC(O)CO CS20495 [1,0,0,0,0,0|1,0,2]=4 14 B6R0.1 CCNC(=O)NC MC428152 [1,0,0,0,0,0|2,0,0]=3 15 B6R0.1 CCOC(=O)CBr MC41907 [1,0,0,0,0,0|1,0,0]=2 16 B6R0.1 CCOC(=O)CCl MC41910 [1,0,0,0,0,0|1,0,0]=2 17 B6R0.1 CCOC(=O)CN CS15347 [1,0,0,0,0,0|1,0,0]=2 18 B6R0.1 CCOC(=O)CO CS11386 [1,0,0,0,0,0|1,0,0]=2 19 B6R0.1 CCOC(=O)NN CS11383 [1,0,0,0,0,0|2,0,0]=3 20 B6R0.1 CNC(=O)CC#N CS18404 [1,0,0,0,0,0|2,0,1]=4 21 B6R0.1 CNC(=O)CCN MC112263 [1,0,0,0,0,0|2,0,0]=3 22 B6R0.1 CNCC(=O)OC MC438154 [1,0,0,0,0,0|2,0,0]=3 23 B6R0.1 COC(=O)CC#N MC428339 [1,0,0,0,0,0|2,0,1]=4 24 B6R0.1 COC(=O)CCBr CS18993 [1,0,0,0,0,0|2,0,0]=3 25 B6R0.1 COC(=O)CCN CS22266 [1,0,0,0,0,0|2,0,0]=3 26 B6R0.1 COCC(=O)NN CS11580 [1,0,0,0,0,0|3,0,0]=4 27 B6R0.1 C\C=C\C(=O)OC MC41953 [1,0,0,0,0,0|1,0,2]=4 28 B6R0.1 O=C(CCl)NCO CS14580 [1,0,0,0,0,0|3,0,0]=4 29 B6R0.4 CC(=O)CCCBr CS10305 [1,0,0,0,0,0|2,0,0]=3 30 B6R0.4 CC(=O)CCCCl CS10334 [1,0,0,0,0,0|2,0,0]=3 31 B6R0.4 CC(=O)NCCCl MC33011 [1,0,0,0,0,0|2,0,0]=3 32 B6R0.4 CCCCC(=O)Cl MC40508 [1,0,0,0,0,0|2,0,0]=3 33 B6R0.4 CO\C=C\C(C)=O MC33352 [1,0,0,0,0,0|2,0,1]=4 34 B6R0.4 NCCCC(=O)O CS14998 [1,0,0,0,0,0|3,0,0]=4 35 B6R0.4 NCCCC(N)=O MC112262 [1,0,0,0,0,0|3,0,0]=4 36 B6R0.4 O=C(Cl)CCCCl MC40450 [1,0,0,0,0,0|3,0,0]=4 37 B6R0.4 O=C(O)CCCBr CS14053 [1,0,0,0,0,0|3,0,0]=4 38 B6R0.6 CCCOCCCl MC428009 [1,0,0,0,0,0|1,0,1]=3 39 B6R0.6 ClCCOCCCl MC41873 [1,0,0,0,0,0|2,0,1]=4 40 B6R0.6 OCCOCCO MC41893 [1,0,0,0,0,0|2,0,1]=4 41 B6R0.6 SCCOCCS MC112783 [1,0,0,0,0,0|2,0,1]=4 42 B8R0.1 C#CCCC(=O)OCC MC424003 [0,1,0,0,0,0|1,0,2]=4 43 B8R0.1 CCOC(=O)CCCO MC111642 [0,1,0,0,0,0|2,0,0]=3 44 B8R0.1 CCOC(=O)\C=C\CO MC103341 [0,1,0,0,0,0|2,0,1]=4 45 B8R0.3 CCCC(N)C(=O)OC MC438026 [0,1,0,0,0,0|2,0,0]=3 46 B8R0.3 CCOC(=O)C(=O)CBr CS18430 [0,1,0,0,0,0|3,0,0]=4 47 B8R0.3 CCOC(=O)C(=O)CC CS13439 [0,1,0,0,0,0|2,0,0]=3 48 B8R0.3 COC(=O)C(Br)CCBr MC41887 [0,1,0,0,0,0|3,0,0]=4 49 B8R0.6 CCCCNC(=O)CCl CS11766 [0,1,0,0,0,0|2,0,0]=3 50 B8R0.6 CCCSCC(=O)OC MC434048 [0,1,0,0,0,0|1,1,0]=3 51 B8R0.8 CN(C)C(=O)CCCN MC112306 [0,1,0,0,0,0|3,0,0]=4 52 B8R0.9 C=CC(=O)OCC(C)O CS21600 [0,1,0,0,0,0|0,0,2]=3 53 B8R0.19 CCC(=O)CC(=O)CC CS22007 [0,1,0,0,0,0|1,0,1]=3 54 B8R0.19 CCC(=O)CC(=O)OC CS18389 [0,1,0,0,0,0|2,0,1]=4 55 B8R0.19 COC(=O)CC(O)CCl CS18252 [0,1,0,0,0,0|3,0,0]=4 56 B8R0.19 O=C(CF)OC(=O)CF MC107082 [0,1,0,0,0,0|2,0,1]=4 57 B8R1.1 NCC1CNC(=O)C1 MC101927 [0,0,0,1,0,0|3,0,0]=4 58 B8R1.1 NCC1CNC(=O)C1 MC105678 [0,0,0,1,0,0|3,0,0]=4 59 B8R1.1 NCC1CNC(=O)C1 MC121239 [0,0,0,1,0,0|3,0,0]=4 60 B8R1.1 NCC1CNC(=O)O1 MC103408 [0,0,0,1,0,0|2,0,0]=3 61 B8R1.1 NCC1COC(=O)N1 MC104254 [0,0,0,1,0,0|3,0,0]=4 62 B8R1.1 O=C1C=CC(CO)O1 MC20390 [0,0,0,1,0,0|1,0,2]=4 63 B8R1.1 O=C1CC(CF)CO1 MC10217 [0,0,0,1,0,0|3,0,0]=4 64 B8R1.1 O=C1CCC(CO)N1 CS13834 [0,0,0,1,0,0|2,0,0]=3 65 B8R1.1 O=C1CCC(CO)N1 CS15562 [0,0,0,1,0,0|2,0,0]=3 66 B8R1.1 O=C1NC(CO)CO1 MC427148 [0,0,0,1,0,0|3,0,0]=4 67 B8R1.2 BrCC1=CCCCC1 MC103521 [0,0,0,1,0,0|3,0,0]=4 68 B8R1.2 CCC1CNCCO1 MC444035 [0,0,0,1,0,0|2,0,1]=4 69 B8R1.2 CCC1CNCCO1 MC444058 [0,0,0,1,0,0|2,0,1]=4 70 B8R1.2 CCC1CNCCO1 MC444187 [0,0,0,1,0,0|2,0,1]=4 71 B8R1.3 C=C1CCC(=O)CC1 MC106742 [0,0,0,1,0,0|1,0,2]=4 72 B8R1.3 C=C1CCC(C)CC1 MC105701 [0,0,0,1,0,0|2,0,0]=3 73 B8R1.3 CC1COC(C)CN1 MC107001 [0,0,0,1,0,0|2,0,1]=4 74 B8R1.3 CC1COC(C)CN1 MC107002 [0,0,0,1,0,0|2,0,1]=4 75 B8R1.3 CN1CC=C(Br)CC1 MC425142 [0,0,0,1,0,0|3,0,0]=4 76 B8R1.3 CN1CCC(=O)CC1 CS18410 [0,0,0,1,0,0|2,0,0]=3 77 B8R1.3 NC1CCC(=O)CC1 CS22583 [0,0,0,1,0,0|2,0,0]=3 78 B8R1.3 NC1CCC(=O)NC1 MC113024 [0,0,0,1,0,0|2,0,0]=3 79 B8R1.3 NC1CCC(=O)NC1 MC444382 [0,0,0,1,0,0|2,0,0]=3 80 B8R1.3 O=C1CCC(=O)CC1 CS19236 [0,0,0,1,0,0|2,0,1]=4 81 B8R1.3 O=C1CCC(=O)NC1 CS21155 [0,0,0,1,0,0|2,0,1]=4 82 B8R1.3 O=C1CCC(O)CC1 CS22889 [0,0,0,1,0,0|2,0,0]=3 83 B8R1.5 CC1=NCCCN1C MC20695 [0,0,0,1,0,0|3,0,0]=4 84 B8R1.5 CC1CCNCC1=O MC105562 [0,0,0,1,0,0|2,0,0]=3 85 B8R1.5 CC1CNCCC1=O MC106748 [0,0,0,1,0,0|2,0,0]=3 86 B8R1.5 CC1COCCC1=O MC425868 [0,0,0,1,0,0|2,0,0]=3 87 B8R1.5 CN1CCNCC1=O CS17040 [0,0,0,1,0,0|3,0,0]=4 88 B8R1.5 CN1CCNCC1=O CS18390 [0,0,0,1,0,0|3,0,0]=4 89 B8R1.5 NC1CCCNC1=O MC106744 [0,0,0,1,0,0|2,0,0]=3 90 B8R1.5 O=C1CCCCC1=O CS20486 [0,0,0,1,0,0|2,0,1]=4 91 B8R1.5 O=C1CCNCC1Br MC106749 [0,0,0,1,0,0|3,0,0]=4 92 B8R1.5 O=C1NCCCC1Br CS14644 [0,0,0,1,0,0|2,0,0]=3 93 B8R1.5 O=C1NCCCC1O CS19689 [0,0,0,1,0,0|2,0,0]=3 94 B8R1.5 O=C1OCCCC1O CS16147 [0,0,0,1,0,0|1,0,0]=2 95 B8R1.10 OCCOC1CCC1 MC121362 [0,0,0,1,0,0|2,0,1]=4 96 B8R1.22 O=C1CCCNCC1 CS19096 [0,0,0,1,0,0|2,0,0]=3 97 B8R1.22 O=C1CCNCCN1 CS18857 [0,0,0,1,0,0|2,0,0]=3 98 B8R1.22 O=C1CCSCCN1 MC121122 [0,0,0,1,0,0|2,0,0]=3 99 B8R1.22 O=S1CCCNCC1 MC100495 [0,0,0,1,0,0|3,0,0]=4 100 B8R1.38 COC(=O)C1CNC1 CS13402 [0,0,0,1,0,0|3,0,0]=4 101 B8R1.38 COC(=O)C1COC1 MC100370 [0,0,0,1,0,0|3,0,0]=4 102 B8R1.50 CC1C(=O)CCC1=O CS21655 [0,0,0,1,0,0|2,0,1]=4 103 B8R1.50 O=C1OCC(O)C1Br MC113108 [0,0,0,1,0,0|2,0,0]=3 104 B8R1.83 COC(=O)C1CC1Br MC430638 [0,0,0,1,0,0|3,0,0]=4 105 B5R0.1 C=C(C)CCBr CS14513 [2,0,0,0,0,0|2,0,0]=4 106 B5R0.1 CCCC(C)=O CS21731 [2,0,0,0,0,0|0,0,0]=2 107 B5R0.1 CCC[N+](=O)[O-] MC428297 [2,0,0,0,0,0|2,0,0]=4 108 B5R0.1 CCOC(=N)N CS11818 [2,0,0,0,0,0|2,0,0]=4 109 B5R0.1 CNCC(=O)O CS18595 [2,0,0,0,0,0|2,0,0]=4 110 B5R0.1 CNCC(N)=O MC438151 [2,0,0,0,0,0|2,0,0]=4 111 B5R0.1 COCC(=O)Cl MC40491 [2,0,0,0,0,0|2,0,0]=4 112 B5R0.1 COCC(=O)O CS11579 [2,0,0,0,0,0|2,0,0]=4 113 B5R0.1 COCC(N)=O MC41924 [2,0,0,0,0,0|2,0,0]=4 114 B5R0.1 CSCC(=O)Cl MC106201 [2,0,0,0,0,0|2,0,0]=4 115 B5R0.1 CSCC(N)=O CS12608 [2,0,0,0,0,0|2,0,0]=4 116 B5R0.1 NCCC(=O)O CS13499 [2,0,0,0,0,0|2,0,0]=4 117 B5R0.1 NCCC(N)=O MC436150 [2,0,0,0,0,0|2,0,0]=4 118 B5R0.1 O=C(O)CCO MC20638 [2,0,0,0,0,0|2,0,0]=4 119 B5R0.2 CCCCCBr CS20657 [2,0,0,0,0,0|1,0,1]=4 120 B5R0.2 CCOCCBr CS21396 [2,0,0,0,0,0|1,0,0]=3 121 B5R0.2 CCOCCCl MC428008 [2,0,0,0,0,0|1,0,0]=3 122 B5R0.3 CNC(=O)CCl MC21094 [2,0,0,0,0,0|2,0,0]=4 123 B5R0.3 CNC(=O)CN MC437710 [2,0,0,0,0,0|2,0,0]=4 124 B5R0.3 COC(=O)CN CS15045 [2,0,0,0,0,0|1,0,0]=3 125 B5R0.3 COC(=O)CO CS19433 [2,0,0,0,0,0|1,0,0]=3 126 B5R0.3 COC(=O)CS MC20578 [2,0,0,0,0,0|1,0,0]=3 127 B5R0.3 COC(=O)NN MC20825 [2,0,0,0,0,0|2,0,0]=4 128 B5R0.3 O=C(CO)CO CS11245 [2,0,0,0,0,0|2,0,0]=4 129 B7R0.2 CC(C)OC(=O)CO CS11522 [1,1,0,0,0,0|1,0,0]=3 130 B7R0.2 CCC(=O)CC(C)=O CS21124 [1,1,0,0,0,0|0,0,1]=3 131 B7R0.2 CCC(=O)OC(C)=O CS16382 [1,1,0,0,0,0|0,0,1]=3 132 B7R0.2 COC(=O)CC(C)=O MC41927 [1,1,0,0,0,0|1,0,1]=4 133 B7R0.2 COC(=O)CC(C)O CS11584 [1,1,0,0,0,0|1,0,0]=3 134 B7R0.5 CC(C)C(=O)CC#N MC41933 [1,1,0,0,0,0|1,0,1]=4 135 B7R0.5 CCOC(=O)C(C)C CS11388 [1,1,0,0,0,0|0,0,0]=2 136 B7R0.5 CCOC(=O)C(C)F MC439605 [1,1,0,0,0,0|0,0,0]=2 137 B7R0.5 CCOC(=O)C(C)N CS15404 [1,1,0,0,0,0|0,0,0]=2 138 B7R0.5 CCOC(=O)C(C)N MC436160 [1,1,0,0,0,0|0,0,0]=2 139 B7R0.5 CCOC(=O)C(C)O CS20075 [1,1,0,0,0,0|0,0,0]=2 140 B7R0.5 CCOC(=O)C(F)Br MC41908 [1,1,0,0,0,0|1,0,0]=3 141 B7R0.5 CCOC(=O)C(F)Cl MC41909 [1,1,0,0,0,0|1,0,0]=3 142 B7R0.5 CCOC(=O)C(F)F CS11385 [1,1,0,0,0,0|1,0,0]=3 143 B7R0.5 CCOC(=O)C(N)=S CS11392 [1,1,0,0,0,0|1,0,1]=4 144 B7R0.5 CNCC(=O)N(C)C MC438152 [1,1,0,0,0,0|2,0,0]=4 145 B7R0.7 CC#CC(=O)OCC CS10117 [1,1,0,0,0,0|0,0,1]=3 146 B7R0.7 CCCC(N)CCO CS16692 [1,1,0,0,0,0|1,0,1]=4 147 B7R0.7 CCOC(=O)CC#N MC41911 [1,1,0,0,0,0|0,0,1]=3 148 B7R0.7 CCOC(=O)CCN CS14330 [1,1,0,0,0,0|0,0,0]=2 149 B7R0.7 CCOC(=O)CNC CS17068 [1,1,0,0,0,0|0,0,0]=2 150 B7R0.7 CCOC(=O)CNN CS19987 [1,1,0,0,0,0|1,0,0]=3 151 B7R0.7 CCOC(=O)COC CS11389 [1,1,0,0,0,0|0,0,0]=2 152 B7R0.7 O=C(CCCl)CCCl CS19912 [1,1,0,0,0,0|1,0,0]=3 153 B7R0.10 CCC(Br)C(=O)OC CS14136 [1,1,0,0,0,0|1,0,0]=3 154 B7R0.10 CCC(N)C(=O)OC MC436010 [1,1,0,0,0,0|1,0,0]=3 155 B7R0.10 CNC(C)C(=O)OC MC437898 [1,1,0,0,0,0|2,0,0]=4 156 B7R0.10 COC(=O)C(C)CBr MC428281 [1,1,0,0,0,0|2,0,0]=4 157 B7R0.10 COC(=O)C(F)CO CS17081 [1,1,0,0,0,0|2,0,0]=4 158 B7R0.10 COC(=O)C(N)CCl CS22615 [1,1,0,0,0,0|2,0,0]=4 159 B7R0.10 COC(=O)C(N)CCl MC418493 [1,1,0,0,0,0|2,0,0]=4 160 B7R0.10 COC(=O)C(N)CCl MC436854 [1,1,0,0,0,0|2,0,0]=4 161 B7R0.10 COC(=O)C(N)CO CS16778 [1,1,0,0,0,0|2,0,0]=4 162 B7R0.10 COC(=O)C(N)CO CS16785 [1,1,0,0,0,0|2,0,0]=4 163 B7R0.10 COC(=O)C(N)CO CS22621 [1,1,0,0,0,0|2,0,0]=4 164 B7R0.10 COC(=O)C(N)CS CS13863 [1,1,0,0,0,0|2,0,0]=4 165 B7R0.10 COC(=O)C(N)CS MC110561 [1,1,0,0,0,0|2,0,0]=4 166 B7R0.10 COC(=O)C(O)CO MC429048 [1,1,0,0,0,0|2,0,0]=4 167 B7R0.4 CC#CCOC(C)=O MC434061 [1,1,0,0,0,0|0,0,1]=3 168 B7R0.4 CC(=O)CCCCBr CS10627 [1,1,0,0,0,0|1,0,0]=3 169 B7R0.4 CCCOCC(=O)O MC425744 [1,1,0,0,0,0|1,0,0]=3 170 B7R0.4 CCC\C=C\C(C)=O MC20875 [1,1,0,0,0,0|1,0,0]=3 171 B7R0.4 NCCCCC(=O)O MC428108 [1,1,0,0,0,0|2,0,0]=4 172 B7R0.4 O=C(O)CCCCBr MC41866 [1,1,0,0,0,0|2,0,0]=4 173 B7R0.6 CC(C)CCC(=O)Cl MC20895 [1,1,0,0,0,0|2,0,0]=4 174 B7R0.6 CC(C)CO[N+](=O)[O-] MC434046 [1,1,0,0,0,0|2,0,0]=4 175 B7R0.6 CC(N)CCC(=O)O MC435302 [1,1,0,0,0,0|2,0,0]=4 176 B7R0.1 COCCOCCN MC431493 [1,1,0,0,0,0|1,0,1]=4 177 B9R0.4 CC(C)NC(=O)NCCN MC112535 [0,2,0,0,0,0|2,0,0]=4 178 B9R0.5 CCOC(=O)CCCCBr CS13726 [0,2,0,0,0,0|1,0,0]=3 179 B9R0.5 CCOC(=O)CCCCN CS14354 [0,2,0,0,0,0|1,0,0]=3 180 B9R0.5 CCOC(=O)CNCCN MC436180 [0,2,0,0,0,0|2,0,0]=4 181 B9R0.5 CCO\C=C\C(=O)OCC MC20656 [0,2,0,0,0,0|1,0,1]=4 182 B9R0.8 CCCCC(N)C(=O)OC MC438018 [0,2,0,0,0,0|2,0,0]=4 183 B9R0.8 CCCCC(N)C(=O)OC MC438019 [0,2,0,0,0,0|2,0,0]=4 184 B9R0.8 COC(=O)C(N)CCCN MC438048 [0,2,0,0,0,0|2,0,0]=4 185 B9R0.8 COC(=O)C(N)CCSC MC437955 [0,2,0,0,0,0|2,0,0]=4 186 B9R0.8 COC(=O)C(N)CCSC MC437956 [0,2,0,0,0,0|2,0,0]=4 187 B9R0.8 COC(=O)C(N)CCSC MC439011 [0,2,0,0,0,0|2,0,0]=4 188 B9R0.18 O=C(CCCCl)CCCCl CS14305 [0,2,0,0,0,0|2,0,0]=4 189 B9R0.34 CCOC(=O)CC(=O)CC CS11391 [0,2,0,0,0,0|1,0,1]=4 190 B9R0.35 CCCC(=O)C(=O)OCC CS14582 [0,2,0,0,0,0|1,0,0]=3 191 B9R0.35 CCCC(N)C(=O)OCC MC439184 [0,2,0,0,0,0|1,0,0]=3 192 B9R0.35 CCOC(=N)C(=O)OCC CS13440 [0,2,0,0,0,0|2,0,0]=4 193 B9R0.35 CCOC(=O)C(=O)OCC MC41888 [0,2,0,0,0,0|2,0,0]=4 194 B9R0.6 CCOC(=O)C(=O)C(C)C MC41914 [0,2,0,0,0,0|2,0,0]=4 195 B9R0.6 CCOC(=O)C(=O)C(C)Cl MC107439 [0,2,0,0,0,0|2,0,0]=4 196 B9R0.23 CC(C)CC(N)C(=O)CCl MC437823 [0,2,0,0,0,0|2,0,0]=4 197 B9R0.23 CCC(=O)C(C)CN(C)C CS12103 [0,2,0,0,0,0|2,0,0]=4 198 B9R0.23 COC(=O)C(N)CC(C)C CS22260 [0,2,0,0,0,0|2,0,0]=4 199 B9R0.23 COC(=O)C(N)CC(C)C MC437840 [0,2,0,0,0,0|2,0,0]=4 200 B9R0.23 COC(=O)C(N)CC(C)C MC437841 [0,2,0,0,0,0|2,0,0]=4 201 B9R0.27 CCC(C)C(N)C(=O)OC CS13864 [0,2,0,0,0,0|2,0,0]=4 202 B9R0.20 CCS(=O)(=O)CCCCN MC116554 [0,2,0,0,0,0|2,0,0]=4 203 B9R0.46 COC(=O)CCCCCN CS11662 [0,2,0,0,0,0|2,0,0]=4 204 B9R0.47 C=C(C)C(=O)NCCCN CS11712 [0,2,0,0,0,0|1,0,1]=4 205 B9R0.47 CCCCOC(=O)C(C)N CS15628 [0,2,0,0,0,0|0,0,0]=2 206 B9R0.42 CCC(=O)OC(Cl)C(C)C CS20670 [0,2,0,0,0,0|0,0,0]=2 207 B9R0.21 COC(=O)CCC(C)(C)N MC112459 [0,2,0,0,0,0|2,0,0]=4 208 B7R1.1 CCC1CCCN1 MC110951 [1,0,0,1,0,0|1,0,1]=4 209 B7R1.1 COC1=NCCC1 CS10423 [1,0,0,1,0,0|2,0,0]=4 210 B7R1.2 CC1=CC(=O)CC1 CS22356 [1,0,0,1,0,0|0,0,2]=4 211 B7R1.2 CC1COC(=O)N1 CS14300 [1,0,0,1,0,0|2,0,0]=4 212 B7R1.2 CC1COC(=O)O1 MC428298 [1,0,0,1,0,0|1,0,0]=3 213 B7R1.2 CN1CCC(=O)C1 CS20760 [1,0,0,1,0,0|1,0,0]=3 214 B7R1.2 NC1CNC(=O)C1 MC103473 [1,0,0,1,0,0|2,0,0]=4 215 B7R1.2 NC1COC(=O)C1 CS14340 [1,0,0,1,0,0|2,0,0]=4 216 B7R1.2 NC1COC(=O)C1 CS14674 [1,0,0,1,0,0|2,0,0]=4 217 B7R1.2 O=C1CC(O)CN1 CS14706 [1,0,0,1,0,0|2,0,0]=4 218 B7R1.2 O=C1CC(O)CN1 CS16472 [1,0,0,1,0,0|2,0,0]=4 219 B7R1.2 O=C1CCC(I)C1 MC115016 [1,0,0,1,0,0|1,0,0]=3 220 B7R1.3 BrC1CCCCC1 CS11079 [1,0,0,1,0,0|1,0,1]=4 221 B7R1.3 O=C1C=CCCC1 MC41883 [1,0,0,1,0,0|0,0,2]=4 222 B7R1.3 O=C1CCCCN1 MC429045 [1,0,0,1,0,0|1,0,0]=3 223 B7R1.3 O=C1CCCCO1 CS11208 [1,0,0,1,0,0|0,0,0]=2 224 B7R1.3 O=C1CCCNC1 CS14768 [1,0,0,1,0,0|1,0,0]=3 225 B7R1.3 O=C1CCCNC1 CS17767 [1,0,0,1,0,0|1,0,0]=3 226 B7R1.3 O=C1CCCOC1 MC31097 [1,0,0,1,0,0|1,0,0]=3 227 B7R1.3 O=C1CCNCC1 CS22790 [1,0,0,1,0,0|1,0,0]=3 228 B7R1.3 O=C1CCOCC1 CS13380 [1,0,0,1,0,0|1,0,0]=3 229 B7R1.3 O=C1CCSCC1 CS18797 [1,0,0,1,0,0|1,0,0]=3 230 B7R1.3 O=C1CNCCN1 CS19142 [1,0,0,1,0,0|2,0,0]=4 231 B7R1.3 O=C1CNCCO1 MC441004 [1,0,0,1,0,0|1,0,0]=3 232 B7R1.3 O=C1COCCN1 CS11697 [1,0,0,1,0,0|2,0,0]=4 233 B7R1.3 O=C1COCCO1 MC20725 [1,0,0,1,0,0|1,0,0]=3 234 B7R1.4 CC1OCCC1=O CS14135 [1,0,0,1,0,0|1,0,0]=3 235 B7R1.4 CN1CCCC1=O MC41699 [1,0,0,1,0,0|1,0,0]=3 236 B7R1.4 NC1CCNC1=O MC107169 [1,0,0,1,0,0|2,0,0]=4 237 B7R1.4 NC1CCNC1=O MC115917 [1,0,0,1,0,0|2,0,0]=4 238 B7R1.4 NC1CCOC1=O CS18578 [1,0,0,1,0,0|1,0,0]=3 239 B7R1.4 NC1CCOC1=O MC439296 [1,0,0,1,0,0|1,0,0]=3 240 B7R1.4 NC1CCSC1=O MC428331 [1,0,0,1,0,0|1,1,0]=4 241 B7R1.4 NN1CCOC1=O MC102926 [1,0,0,1,0,0|2,0,0]=4 242 B7R1.4 O=C1CCCC1Br MC445112 [1,0,0,1,0,0|1,0,0]=3 243 B7R1.4 O=C1NCCC1O CS19486 [1,0,0,1,0,0|2,0,0]=4 244 B7R1.4 O=C1NCCC1O MC115910 [1,0,0,1,0,0|2,0,0]=4 245 B7R1.4 O=C1NCCC1O MC444274 [1,0,0,1,0,0|2,0,0]=4 246 B7R1.8 O=C1CCC1CO MC104211 [1,0,0,1,0,0|1,0,0]=3 247 B7R1.8 O=C1CCC1CO MC104212 [1,0,0,1,0,0|1,0,0]=3 248 B7R1.8 O=C1CCC1CO MC104213 [1,0,0,1,0,0|1,0,0]=3 249 B7R1.21 CCOC1(O)CC1 CS16017 [1,0,0,1,0,0|0,0,2]=4 250 B7R1.22 COC(=O)C1CC1 MC41839 [1,0,0,1,0,0|1,0,0]=3 251 B7R1.22 O=C(CBr)C1CC1 MC433212 [1,0,0,1,0,0|1,0,0]=3 252 B7R1.12 CC1CC1C(=O)O MC100841 [1,0,0,1,0,0|2,0,0]=4 253 B7R1.12 CC1CC1C(=O)O MC103281 [1,0,0,1,0,0|2,0,0]=4 254 B7R1.12 CC1CC1C(N)=O MC425328 [1,0,0,1,0,0|2,0,0]=4 255 B7R1.18 O=C(O)C1CCC1 CS22786 [1,0,0,1,0,0|2,0,0]=4 256 B7R1.20 O=C(O)CC1CC1 MC433946 [1,0,0,1,0,0|2,0,0]=4 257 B7R1.24 C1CNCCOC1 CS17007 [1,0,0,1,0,0|1,0,1]=4 258 B9R1.2 NCC1CCNC(=O)C1 MC101902 [0,1,0,1,0,0|2,0,0]=4 259 B9R1.2 NCC1CCNC(=O)C1 MC102333 [0,1,0,1,0,0|2,0,0]=4 260 B9R1.2 O=C1CC(CO)CCN1 MC444199 [0,1,0,1,0,0|2,0,0]=4 261 B9R1.2 O=C1COCC(CO)N1 CS17255 [0,1,0,1,0,0|2,0,0]=4 262 B9R1.7 CCCC1COC(=O)C1 MC426027 [0,1,0,1,0,0|2,0,0]=4 263 B9R1.7 CCOC1=CC(=O)CC1 MC425592 [0,1,0,1,0,0|1,0,1]=4 264 B9R1.15 CCC1CNCCC1=O CS17950 [0,1,0,1,0,0|2,0,0]=4 265 B9R1.15 COC1CCCNC1=O CS12712 [0,1,0,1,0,0|1,0,0]=3 266 B9R1.15 N#CC1CCCCC1=O MC33325 [0,1,0,1,0,0|1,0,1]=4 267 B9R1.33 COCC1CCCC1=O MC106167 [0,1,0,1,0,0|2,0,0]=4 268 B9R1.33 O=C1CCCN1CCBr MC431361 [0,1,0,1,0,0|2,0,0]=4 269 B9R1.48 O=C1CCCCC(=O)C1 CS20375 [0,1,0,1,0,0|1,0,1]=4 270 B9R1.48 O=C1CCCNC(=O)C1 MC428135 [0,1,0,1,0,0|1,0,1]=4 271 B9R1.49 CN1CCCC(=O)CC1 CS13899 [0,1,0,1,0,0|1,0,0]=3 272 B9R1.50 O=C1CCCCCCN1 CS21316 [0,1,0,1,0,0|1,0,0]=3 273 B9R1.69 CC1CCC(=O)NC1=O MC427305 [0,1,0,1,0,0|1,0,1]=4 274 B9R1.69 CC1CN(C)C(=O)CN1 MC104410 [0,1,0,1,0,0|2,0,0]=4 275 B9R1.69 CC1CN(C)C(=O)CN1 MC105415 [0,1,0,1,0,0|2,0,0]=4 276 B9R1.69 CC1CNC(=O)CC1=O CS12978 [0,1,0,1,0,0|1,0,1]=4 277 B9R1.69 CN1CC(N)CCC1=O MC104028 [0,1,0,1,0,0|2,0,0]=4 278 B9R1.69 CN1CC(N)CCC1=O MC444375 [0,1,0,1,0,0|2,0,0]=4 279 B9R1.69 CN1CCC(N)CC1=O MC105288 [0,1,0,1,0,0|2,0,0]=4 280 B9R1.73 CCOC(=O)C1CCC1 MC41840 [0,1,0,1,0,0|1,0,0]=3 281 B9R1.73 CCOC(=O)C1CNC1 CS11347 [0,1,0,1,0,0|2,0,0]=4 282 B9R1.183 CCOC(=O)C1CC1Br MC430633 [0,1,0,1,0,0|2,0,0]=4 283 B9R1.183 CCOC(=O)C1CC1F MC425315 [0,1,0,1,0,0|2,0,0]=4 284 B9R1.3 CC1C(=O)CCCC1=O CS10132 [0,1,0,1,0,0|1,0,1]=4 285 B9R1.3 CN1CCCC(N)C1=O MC103467 [0,1,0,1,0,0|2,0,0]=4 286 B9R1.3 CN1CCCC(N)C1=O MC104792 [0,1,0,1,0,0|2,0,0]=4 287 B9R1.3 CN1CCCC(N)C1=O MC106967 [0,1,0,1,0,0|2,0,0]=4 288 B9R1.3 CN1CCCN(C)C1=O CS14637 [0,1,0,1,0,0|2,0,0]=4 289 B9R1.5 CN1CCCNCC1=O MC100103 [0,1,0,1,0,0|2,0,0]=4 290 B9R1.5 NC1CCCCNC1=O CS15569 [0,1,0,1,0,0|1,0,0]=3 291 B9R1.5 NC1CCCCNC1=O CS15816 [0,1,0,1,0,0|1,0,0]=3 292 B9R1.5 NC1CCCCNC1=O MC425745 [0,1,0,1,0,0|1,0,0]=3 293 B9R1.5 NC1CSCCNC1=O MC100169 [0,1,0,1,0,0|2,0,0]=4 294 B9R1.11 COC(=O)C1=CCCC1 CS18911 [0,1,0,1,0,0|2,0,0]=4 295 B9R1.11 COC(=O)C1CCCN1 CS11440 [0,1,0,1,0,0|2,0,0]=4 296 B9R1.11 COC(=O)C1CCCN1 CS18447 [0,1,0,1,0,0|2,0,0]=4 297 B9R1.11 COC(=O)C1CCCN1 MC438131 [0,1,0,1,0,0|2,0,0]=4 298 B9R1.11 COC(=O)C1CCNC1 MC103933 [0,1,0,1,0,0|2,0,0]=4 299 B9R1.82 COC(=O)C1CC(Br)C1 MC103784 [0,1,0,1,0,0|2,0,0]=4 300 B9R1.82 COC(=O)C1CC(Br)C1 MC103785 [0,1,0,1,0,0|2,0,0]=4 301 B9R1.82 COC(=O)C1CC(Cl)C1 MC444530 [0,1,0,1,0,0|2,0,0]=4 302 B9R1.82 COC(=O)C1CC(N)C1 CS15952 [0,1,0,1,0,0|2,0,0]=4 303 B9R1.82 COC(=O)C1CC(N)C1 MC103928 [0,1,0,1,0,0|2,0,0]=4 304 B9R1.82 COC(=O)C1CC(N)C1 MC103997 [0,1,0,1,0,0|2,0,0]=4 305 B9R1.82 COC(=O)C1CC(N)C1 MC444564 [0,1,0,1,0,0|2,0,0]=4 306 B9R1.82 COC(=O)C1CC(O)C1 MC444276 [0,1,0,1,0,0|2,0,0]=4 307 B9R1.82 COC(=O)C1CC(O)C1 MC444557 [0,1,0,1,0,0|2,0,0]=4 308 B9R1.82 COC(=O)C1CC(O)C1 MC444565 [0,1,0,1,0,0|2,0,0]=4 309 B9R1.101 COC(=O)C(N)C1CC1 MC106086 [0,1,0,1,0,0|2,0,0]=4 310 B9R1.132 CN1C(=O)CCC1CO MC102373 [0,1,0,1,0,0|2,0,0]=4 311 B9R1.186 COC(=O)C1(N)CCC1 CS11175 [0,1,0,1,0,0|2,0,0]=4 312 B9R1.1 CNC1CCC(=O)CC1 CS14610 [0,1,0,1,0,0|1,0,0]=3 313 B9R1.1 COC1CCC(=O)CC1 CS14437 [0,1,0,1,0,0|1,0,0]=3 314 B9R1.1 N#CC1CCC(=O)CC1 CS13355 [0,1,0,1,0,0|1,0,1]=4 315 B9R1.1 NCC1CCC(=O)NC1 MC101985 [0,1,0,1,0,0|1,0,0]=3 316 B9R1.1 O=CC1CCC(=O)CC1 MC112097 [0,1,0,1,0,0|1,0,1]=4 317 B9R1.79 COC(=O)CC1CNC1 MC113002 [0,1,0,1,0,0|2,0,0]=4 318 B9R1.79 COC(=O)CC1CNC1 MC444523 [0,1,0,1,0,0|2,0,0]=4 319 B9R1.81 COC(=O)C1CCC1N MC103768 [0,1,0,1,0,0|2,0,0]=4 320 B9R1.35 CC(C)C1COC(=O)N1 CS22803 [0,1,0,1,0,0|2,0,0]=4 321 B9R1.40 CC1(C)CCCOC1=O MC112082 [0,1,0,1,0,0|0,0,0]=2 322 B9R1.40 CC1(C)COCCC1=O CS16380 [0,1,0,1,0,0|2,0,0]=4 323 B9R1.40 O=C1NCCCC1(Br)Br CS18534 [0,1,0,1,0,0|2,0,0]=4 324 B9R1.10 C=C1CCC(C)(C)CC1 MC105700 [0,1,0,1,0,0|2,0,0]=4 325 B9R1.10 CC1(C)CCC(=O)CC1 CS22420 [0,1,0,1,0,0|1,0,0]=3 326 B9R1.10 CC1(O)CCC(=O)CC1 CS14351 [0,1,0,1,0,0|1,0,0]=3 327 B9R1.10 O=C1CCC(F)(F)CC1 MC10539 [0,1,0,1,0,0|2,0,0]=4 328 B9R1.10 O=C1CCC(F)(F)CN1 MC105162 [0,1,0,1,0,0|2,0,0]=4 329 B9R2.19 O=C1NCC2CC1N2 MC105469 [0,0,0,2,0,0|2,0,0]=4 330 B9R2.109 O=C1CCCC2CC12 MC102253 [0,0,0,2,0,0|1,0,0]=3