0 B7R0.3 C#CCCC(=O)OC MC424002 [0,0,0,0,0,0|0,0,2]=2 1 B7R0.3 CCC(O)CCCO MC116029 [0,0,0,0,0,0|2,0,2]=4 2 B7R0.3 COC(=O)CCC=O MC21172 [0,0,0,0,0,0|1,0,1]=2 3 B7R0.3 COC(=O)CCCBr MC427387 [0,0,0,0,0,0|1,0,0]=1 4 B7R0.3 COC(=O)CCCN MC439309 [0,0,0,0,0,0|1,0,0]=1 5 B7R0.3 COC(=O)CN=[N+]=[N-] MC428311 [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|1,0,2]=3 7 B7R0.3 COCCC(=O)NN MC111753 [0,0,0,0,0,0|3,0,0]=3 8 B7R0.3 CO\C=C\C(=O)OC CS11630 [0,0,0,0,0,0|1,0,2]=3 9 B6R0.1 C#CC(=O)OCC MC434052 [1,0,0,0,0,0|2,0,1]=4 10 B6R0.1 CCCC(=O)NN CS22544 [1,0,0,0,0,0|2,0,0]=3 11 B6R0.1 CCNC(=O)NC MC428152 [1,0,0,0,0,0|2,0,0]=3 12 B6R0.1 CCOC(=O)CBr MC41907 [1,0,0,0,0,0|3,0,0]=4 13 B6R0.1 CCOC(=O)CCl MC41910 [1,0,0,0,0,0|3,0,0]=4 14 B6R0.1 CCOC(=O)CN CS15347 [1,0,0,0,0,0|3,0,0]=4 15 B6R0.1 CCOC(=O)CO CS11386 [1,0,0,0,0,0|3,0,0]=4 16 B6R0.1 CCOC(=O)NN CS11383 [1,0,0,0,0,0|3,0,0]=4 17 B6R0.1 CNC(=O)CC#N CS18404 [1,0,0,0,0,0|2,0,1]=4 18 B6R0.1 CNC(=O)CCN MC112263 [1,0,0,0,0,0|2,0,0]=3 19 B6R0.1 CNCC(=O)OC MC438154 [1,0,0,0,0,0|1,0,0]=2 20 B6R0.1 COC(=O)C#CBr MC427266 [1,0,0,0,0,0|1,0,2]=4 21 B6R0.1 COC(=O)CC#N MC428339 [1,0,0,0,0,0|1,0,1]=3 22 B6R0.1 COC(=O)CCBr CS18993 [1,0,0,0,0,0|1,0,0]=2 23 B6R0.1 COC(=O)CCN CS22266 [1,0,0,0,0,0|1,0,0]=2 24 B6R0.1 COC(=O)\C=C\I MC20613 [1,0,0,0,0,0|1,0,2]=4 25 B6R0.1 COCC(=O)NN CS11580 [1,0,0,0,0,0|3,0,0]=4 26 B6R0.1 C\C=C\C(=O)OC MC41953 [1,0,0,0,0,0|0,0,2]=3 27 B6R0.4 C#CCCC(=O)Cl MC106035 [1,0,0,0,0,0|1,0,2]=4 28 B6R0.4 C#CCCC(=O)O MC428029 [1,0,0,0,0,0|0,0,2]=3 29 B6R0.4 C#CCCC(N)=O MC106194 [1,0,0,0,0,0|1,0,2]=4 30 B6R0.4 C=CCCC(=O)O CS15216 [1,0,0,0,0,0|0,0,2]=3 31 B6R0.4 CC(=O)CCCBr CS10305 [1,0,0,0,0,0|1,0,0]=2 32 B6R0.4 CC(=O)CCCCl CS10334 [1,0,0,0,0,0|1,0,0]=2 33 B6R0.4 CC(=O)NCCCl MC33011 [1,0,0,0,0,0|2,0,0]=3 34 B6R0.4 CC(C)CCCO MC428025 [1,0,0,0,0,0|2,0,1]=4 35 B6R0.4 CCCCC(=O)Cl MC40508 [1,0,0,0,0,0|1,0,0]=2 36 B6R0.4 CN(C)CCCBr CS22184 [1,0,0,0,0,0|3,0,0]=4 37 B6R0.4 CN(C)CCCCl CS13505 [1,0,0,0,0,0|3,0,0]=4 38 B6R0.4 CN(C)CCCCl CS14943 [1,0,0,0,0,0|3,0,0]=4 39 B6R0.4 CNCCN(C)C CS11723 [1,0,0,0,0,0|3,0,0]=4 40 B6R0.4 CNCCN(C)C CS15131 [1,0,0,0,0,0|3,0,0]=4 41 B6R0.4 CO\C=C\C(C)=O MC33352 [1,0,0,0,0,0|1,0,2]=4 42 B6R0.4 N#CCCC(=O)O CS22262 [1,0,0,0,0,0|1,0,1]=3 43 B6R0.4 NCCCC(=O)O CS14998 [1,0,0,0,0,0|1,0,0]=2 44 B6R0.4 NCCCC(N)=O MC112262 [1,0,0,0,0,0|2,0,0]=3 45 B6R0.4 O=C(Cl)CCCCl MC40450 [1,0,0,0,0,0|2,0,0]=3 46 B6R0.4 O=C(O)CCCBr CS14053 [1,0,0,0,0,0|1,0,0]=2 47 B6R0.6 COCCCC=O MC111975 [1,0,0,0,0,0|1,0,2]=4 48 B6R0.6 COCCCCBr CS22933 [1,0,0,0,0,0|1,0,1]=3 49 B6R0.6 COCCCCCl MC428014 [1,0,0,0,0,0|1,0,1]=3 50 B8R0.1 C#CCCC(=O)OCC MC424003 [0,1,0,0,0,0|0,0,2]=3 51 B8R0.1 CCOC(=O)CCCO MC111642 [0,1,0,0,0,0|1,0,0]=2 52 B8R0.1 CCOC(=O)CN=C=O MC41055 [0,1,0,0,0,0|2,0,1]=4 53 B8R0.1 CCOC(=O)\C=C\CO MC103341 [0,1,0,0,0,0|1,0,2]=4 54 B8R0.3 C#CCC(N)C(=O)OC MC438113 [0,1,0,0,0,0|0,0,2]=3 55 B8R0.3 CCCC(N)C(=O)OC MC438026 [0,1,0,0,0,0|0,0,0]=1 56 B8R0.3 CCOC(=O)C(=O)CC CS13439 [0,1,0,0,0,0|2,0,1]=4 57 B8R0.3 COC(=O)C(Br)CCBr MC41887 [0,1,0,0,0,0|1,0,0]=2 58 B8R0.3 COC(=O)C(C)NC=O MC437638 [0,1,0,0,0,0|2,0,1]=4 59 B8R0.3 CO\C=C(\I)C(=O)OC MC102977 [0,1,0,0,0,0|1,0,2]=4 60 B8R0.6 CCCCNC(=O)CCl CS11766 [0,1,0,0,0,0|2,0,0]=3 61 B8R0.6 CCCSCC(=O)OC MC434048 [0,1,0,0,0,0|0,0,0]=1 62 B8R0.6 C\C=C\C=C\C(=O)OC MC446659 [0,1,0,0,0,0|0,0,3]=4 63 B8R0.8 CN(C)C(=O)CCCN MC112306 [0,1,0,0,0,0|2,0,0]=3 64 B8R0.9 C=CC(=O)OCC(C)O CS21600 [0,1,0,0,0,0|2,0,1]=4 65 B8R0.9 CNC(=O)CNC(C)=O MC436060 [0,1,0,0,0,0|2,0,1]=4 66 B8R0.9 COC(=O)CCC(=O)O CS11694 [0,1,0,0,0,0|1,0,1]=3 67 B8R0.9 COC(=O)CCS(=O)[O-] CS11954 [0,1,0,0,0,0|2,0,0]=3 68 B8R0.19 CCC(=O)CC(=O)CC CS22007 [0,1,0,0,0,0|1,0,1]=3 69 B8R0.19 CCC(=O)CC(=O)OC CS18389 [0,1,0,0,0,0|0,0,1]=2 70 B8R0.19 COC(=O)CC(=O)CCl MC20592 [0,1,0,0,0,0|1,0,1]=3 71 B8R0.19 COC(=O)CC(O)CCl CS18252 [0,1,0,0,0,0|1,0,0]=2 72 B8R1.1 NCC1CNC(=O)C1 MC101927 [0,0,0,1,0,0|2,0,0]=3 73 B8R1.1 NCC1CNC(=O)C1 MC105678 [0,0,0,1,0,0|2,0,0]=3 74 B8R1.1 NCC1CNC(=O)C1 MC121239 [0,0,0,1,0,0|2,0,0]=3 75 B8R1.1 NCC1CNC(=O)O1 MC103408 [0,0,0,1,0,0|3,0,0]=4 76 B8R1.1 NCC1COC(=O)N1 MC104254 [0,0,0,1,0,0|2,0,0]=3 77 B8R1.1 O=C1CC(CF)CO1 MC10217 [0,0,0,1,0,0|1,0,0]=2 78 B8R1.1 O=C1CCC(CO)N1 CS13834 [0,0,0,1,0,0|3,0,0]=4 79 B8R1.1 O=C1CCC(CO)N1 CS15562 [0,0,0,1,0,0|3,0,0]=4 80 B8R1.1 O=C1NC(CO)CO1 MC427148 [0,0,0,1,0,0|2,0,0]=3 81 B8R1.2 BrCC1=CCCCC1 MC103521 [0,0,0,1,0,0|3,0,0]=4 82 B8R1.2 COC1CCCNC1 MC31194 [0,0,0,1,0,0|2,0,1]=4 83 B8R1.2 COC1CCCNC1 MC444290 [0,0,0,1,0,0|2,0,1]=4 84 B8R1.2 COC1CCNCC1 MC444354 [0,0,0,1,0,0|2,0,1]=4 85 B8R1.2 CON1CCNCC1 MC106159 [0,0,0,1,0,0|3,0,0]=4 86 B8R1.2 NOC1CCCCO1 CS17026 [0,0,0,1,0,0|1,0,2]=4 87 B8R1.3 C=C1CCC(=O)CC1 MC106742 [0,0,0,1,0,0|1,0,2]=4 88 B8R1.3 C=C1CCC(C)CC1 MC105701 [0,0,0,1,0,0|2,0,0]=3 89 B8R1.3 CC1COC(C)CN1 MC107001 [0,0,0,1,0,0|2,0,1]=4 90 B8R1.3 CC1COC(C)CN1 MC107002 [0,0,0,1,0,0|2,0,1]=4 91 B8R1.3 CN1CC=C(Br)CC1 MC425142 [0,0,0,1,0,0|3,0,0]=4 92 B8R1.3 CN1CCC(=O)CC1 CS18410 [0,0,0,1,0,0|2,0,0]=3 93 B8R1.3 NC1CCC(=O)CC1 CS22583 [0,0,0,1,0,0|2,0,0]=3 94 B8R1.3 NC1CCC(=O)NC1 MC113024 [0,0,0,1,0,0|2,0,0]=3 95 B8R1.3 NC1CCC(=O)NC1 MC444382 [0,0,0,1,0,0|2,0,0]=3 96 B8R1.3 O=C1CCC(=O)CC1 CS19236 [0,0,0,1,0,0|2,0,1]=4 97 B8R1.3 O=C1CCC(=O)NC1 CS21155 [0,0,0,1,0,0|2,0,1]=4 98 B8R1.3 O=C1CCC(O)CC1 CS22889 [0,0,0,1,0,0|2,0,0]=3 99 B8R1.5 CC1=NCCCN1C MC20695 [0,0,0,1,0,0|3,0,0]=4 100 B8R1.5 CC1CCNCC1=O MC105562 [0,0,0,1,0,0|2,0,0]=3 101 B8R1.5 CC1CNCCC1=O MC106748 [0,0,0,1,0,0|2,0,0]=3 102 B8R1.5 CC1COCCC1=O MC425868 [0,0,0,1,0,0|2,0,0]=3 103 B8R1.5 CN1CCNCC1=O CS17040 [0,0,0,1,0,0|2,0,0]=3 104 B8R1.5 CN1CCNCC1=O CS18390 [0,0,0,1,0,0|2,0,0]=3 105 B8R1.5 NC1CCCNC1=O MC106744 [0,0,0,1,0,0|3,0,0]=4 106 B8R1.5 O=C1CCCC=C1I MC106097 [0,0,0,1,0,0|2,0,1]=4 107 B8R1.5 O=C1CCCCC1=O CS20486 [0,0,0,1,0,0|2,0,0]=3 108 B8R1.5 O=C1CCNCC1Br MC106749 [0,0,0,1,0,0|3,0,0]=4 109 B8R1.5 O=C1NCCCC1Br CS14644 [0,0,0,1,0,0|3,0,0]=4 110 B8R1.5 O=C1NCCCC1O CS19689 [0,0,0,1,0,0|3,0,0]=4 111 B8R1.5 O=C1OCCCC1O CS16147 [0,0,0,1,0,0|3,0,0]=4 112 B8R1.22 O=C1CCCNCC1 CS19096 [0,0,0,1,0,0|2,0,0]=3 113 B8R1.22 O=C1CCNCCN1 CS18857 [0,0,0,1,0,0|2,0,0]=3 114 B8R1.22 O=C1CCSCCN1 MC121122 [0,0,0,1,0,0|2,0,0]=3 115 B8R1.22 O=S1CCCNCC1 MC100495 [0,0,0,1,0,0|3,0,0]=4 116 B8R1.38 COC(=O)C1CNC1 CS13402 [0,0,0,1,0,0|1,0,0]=2 117 B8R1.38 COC(=O)C1COC1 MC100370 [0,0,0,1,0,0|1,0,0]=2 118 B8R1.50 CC1=C(O)C(=O)CC1 CS16508 [0,0,0,1,0,0|2,0,1]=4 119 B8R1.50 CC1C(=O)CCC1=O CS21655 [0,0,0,1,0,0|2,0,1]=4 120 B8R1.83 COC(=O)C1CC1Br MC430638 [0,0,0,1,0,0|1,0,0]=2 121 B5R0.1 C=C(C)CCBr CS14513 [2,0,0,0,0,0|2,0,0]=4 122 B5R0.1 CC#CC(=O)O MC20776 [2,0,0,0,0,0|0,0,2]=4 123 B5R0.1 CCCB(O)O CS14802 [2,0,0,0,0,0|1,0,1]=4 124 B5R0.1 CCCC(C)=O CS21731 [2,0,0,0,0,0|0,0,0]=2 125 B5R0.1 CCC[N+](=O)[O-] MC428297 [2,0,0,0,0,0|1,0,1]=4 126 B5R0.1 CNCC(=O)O CS18595 [2,0,0,0,0,0|1,0,0]=3 127 B5R0.1 CNCC(N)=O MC438151 [2,0,0,0,0,0|2,0,0]=4 128 B5R0.1 COCC(=O)Cl MC40491 [2,0,0,0,0,0|2,0,0]=4 129 B5R0.1 COCC(=O)O CS11579 [2,0,0,0,0,0|1,0,0]=3 130 B5R0.1 COCC(N)=O MC41924 [2,0,0,0,0,0|2,0,0]=4 131 B5R0.1 CSCC(=O)Cl MC106201 [2,0,0,0,0,0|2,0,0]=4 132 B5R0.1 CSCC(N)=O CS12608 [2,0,0,0,0,0|2,0,0]=4 133 B5R0.1 C\C=C\C(=O)O MC41882 [2,0,0,0,0,0|0,0,2]=4 134 B5R0.1 N#CCC(=O)O MC41881 [2,0,0,0,0,0|1,0,1]=4 135 B5R0.1 NCCC(=O)O CS13499 [2,0,0,0,0,0|1,0,0]=3 136 B5R0.1 NCCC(N)=O MC436150 [2,0,0,0,0,0|2,0,0]=4 137 B5R0.1 O=C(O)CCO MC20638 [2,0,0,0,0,0|1,0,0]=3 138 B5R0.2 CCCCCBr CS20657 [2,0,0,0,0,0|1,0,1]=4 139 B5R0.2 CCCC[Zn]Br MC121334 [2,0,0,0,0,0|2,0,0]=4 140 B5R0.2 CNCCCO CS14200 [2,0,0,0,0,0|1,0,1]=4 141 B5R0.2 CNCCNC CS15116 [2,0,0,0,0,0|2,0,0]=4 142 B5R0.2 CNCCOC MC427349 [2,0,0,0,0,0|1,0,0]=3 143 B5R0.2 COCCC#N CS22345 [2,0,0,0,0,0|1,0,1]=4 144 B5R0.2 COCCCBr CS20649 [2,0,0,0,0,0|1,0,0]=3 145 B5R0.2 COCCCO CS20039 [2,0,0,0,0,0|1,0,0]=3 146 B5R0.2 COCCNN MC103229 [2,0,0,0,0,0|2,0,0]=4 147 B5R0.2 COCCNN MC107041 [2,0,0,0,0,0|2,0,0]=4 148 B5R0.2 COCCOC MC41899 [2,0,0,0,0,0|1,0,0]=3 149 B5R0.2 COCCOC MC445008 [2,0,0,0,0,0|1,0,0]=3 150 B5R0.3 CNC(=O)CCl MC21094 [2,0,0,0,0,0|2,0,0]=4 151 B5R0.3 CNC(=O)CN MC437710 [2,0,0,0,0,0|2,0,0]=4 152 B5R0.3 COC(=O)CN CS15045 [2,0,0,0,0,0|1,0,0]=3 153 B5R0.3 COC(=O)CO CS19433 [2,0,0,0,0,0|1,0,0]=3 154 B5R0.3 COC(=O)CS MC20578 [2,0,0,0,0,0|1,0,0]=3 155 B5R0.3 COC(=O)NN MC20825 [2,0,0,0,0,0|2,0,0]=4 156 B7R0.2 CCC(=O)CC(C)=O CS21124 [1,1,0,0,0,0|1,0,1]=4 157 B7R0.2 COC(=O)CC(=O)O CS13436 [1,1,0,0,0,0|1,0,1]=4 158 B7R0.2 COC(=O)CC(=O)[O-] MC41937 [1,1,0,0,0,0|1,0,1]=4 159 B7R0.2 COC(=O)CC(C)=O MC41927 [1,1,0,0,0,0|0,0,1]=3 160 B7R0.2 COC(=O)CC(C)O CS11584 [1,1,0,0,0,0|0,0,0]=2 161 B7R0.2 COC(=O)C[N+](=O)[O-] MC41932 [1,1,0,0,0,0|2,0,0]=4 162 B7R0.2 COC(=O)\C=C(/C)N CS13690 [1,1,0,0,0,0|0,0,2]=4 163 B7R0.5 CCOC(=O)C(C)C CS11388 [1,1,0,0,0,0|2,0,0]=4 164 B7R0.5 CCOC(=O)C(C)F MC439605 [1,1,0,0,0,0|2,0,0]=4 165 B7R0.5 CCOC(=O)C(C)N CS15404 [1,1,0,0,0,0|2,0,0]=4 166 B7R0.5 CCOC(=O)C(C)N MC436160 [1,1,0,0,0,0|2,0,0]=4 167 B7R0.5 CCOC(=O)C(C)O CS20075 [1,1,0,0,0,0|2,0,0]=4 168 B7R0.5 CNCC(=O)N(C)C MC438152 [1,1,0,0,0,0|2,0,0]=4 169 B7R0.7 CC#CC(=O)OCC CS10117 [1,1,0,0,0,0|0,0,2]=4 170 B7R0.7 CCOC(=O)CC#N MC41911 [1,1,0,0,0,0|1,0,1]=4 171 B7R0.7 CCOC(=O)CCN CS14330 [1,1,0,0,0,0|1,0,0]=3 172 B7R0.7 CCOC(=O)CNC CS17068 [1,1,0,0,0,0|1,0,0]=3 173 B7R0.7 CCOC(=O)CNN CS19987 [1,1,0,0,0,0|2,0,0]=4 174 B7R0.7 CCOC(=O)COC CS11389 [1,1,0,0,0,0|1,0,0]=3 175 B7R0.7 O=C(CCCl)CCCl CS19912 [1,1,0,0,0,0|2,0,0]=4 176 B7R0.10 C=C(CBr)C(=O)OC CS11592 [1,1,0,0,0,0|1,0,1]=4 177 B7R0.10 C=C(CO)C(=O)OC CS12335 [1,1,0,0,0,0|1,0,1]=4 178 B7R0.10 CCC(Br)C(=O)OC CS14136 [1,1,0,0,0,0|0,0,0]=2 179 B7R0.10 CCC(N)C(=O)OC MC436010 [1,1,0,0,0,0|0,0,0]=2 180 B7R0.10 CNC(C)C(=O)OC MC437898 [1,1,0,0,0,0|1,0,0]=3 181 B7R0.10 COC(=O)C(=O)CBr CS15824 [1,1,0,0,0,0|1,0,1]=4 182 B7R0.10 COC(=O)C(C)CBr MC428281 [1,1,0,0,0,0|1,0,0]=3 183 B7R0.10 COC(=O)C(F)CO CS17081 [1,1,0,0,0,0|1,0,0]=3 184 B7R0.10 COC(=O)C(N)CCl CS22615 [1,1,0,0,0,0|1,0,0]=3 185 B7R0.10 COC(=O)C(N)CCl MC418493 [1,1,0,0,0,0|1,0,0]=3 186 B7R0.10 COC(=O)C(N)CCl MC436854 [1,1,0,0,0,0|1,0,0]=3 187 B7R0.10 COC(=O)C(N)CO CS16778 [1,1,0,0,0,0|1,0,0]=3 188 B7R0.10 COC(=O)C(N)CO CS16785 [1,1,0,0,0,0|1,0,0]=3 189 B7R0.10 COC(=O)C(N)CO CS22621 [1,1,0,0,0,0|1,0,0]=3 190 B7R0.10 COC(=O)C(N)CS CS13863 [1,1,0,0,0,0|1,0,0]=3 191 B7R0.10 COC(=O)C(N)CS MC110561 [1,1,0,0,0,0|1,0,0]=3 192 B7R0.10 COC(=O)C(O)CO MC429048 [1,1,0,0,0,0|1,0,0]=3 193 B7R0.4 C#CCCCC(=O)O CS14686 [1,1,0,0,0,0|0,0,1]=3 194 B7R0.4 C=CCNCC(=O)O MC439317 [1,1,0,0,0,0|0,0,2]=4 195 B7R0.4 CC#CCOC(C)=O MC434061 [1,1,0,0,0,0|0,0,2]=4 196 B7R0.4 CC(=O)CCCCBr CS10627 [1,1,0,0,0,0|0,0,0]=2 197 B7R0.4 CC(O)CCCCO MC112436 [1,1,0,0,0,0|0,0,2]=4 198 B7R0.4 CCCCCB(O)O CS22305 [1,1,0,0,0,0|1,0,1]=4 199 B7R0.4 CCCCCC(C)O CS21570 [1,1,0,0,0,0|0,0,2]=4 200 B7R0.4 CCCOCC(=O)O MC425744 [1,1,0,0,0,0|0,0,0]=2 201 B7R0.4 CCC\C=C\C(C)=O MC20875 [1,1,0,0,0,0|0,0,1]=3 202 B7R0.4 CCO\C=C\C(=O)O CS22271 [1,1,0,0,0,0|0,0,2]=4 203 B7R0.4 CN(C)CCCCO CS22813 [1,1,0,0,0,0|2,0,0]=4 204 B7R0.4 COCCCC(C)N MC112163 [1,1,0,0,0,0|1,0,1]=4 205 B7R0.4 NCCCCC(=O)O MC428108 [1,1,0,0,0,0|0,0,0]=2 206 B7R0.4 NCCNCC(=O)O MC436179 [1,1,0,0,0,0|1,0,0]=3 207 B7R0.4 O=C(O)CCCCBr MC41866 [1,1,0,0,0,0|0,0,0]=2 208 B7R0.6 C=C(C)CCC(=O)O CS16527 [1,1,0,0,0,0|0,0,1]=3 209 B7R0.6 CC(=O)CCC(=O)O CS18688 [1,1,0,0,0,0|0,0,1]=3 210 B7R0.6 CC(=O)NCC(=O)O CS19131 [1,1,0,0,0,0|1,0,1]=4 211 B7R0.6 CC(C)CCC(=O)Cl MC20895 [1,1,0,0,0,0|1,0,0]=3 212 B7R0.6 CC(C)CCC(C)N MC446673 [1,1,0,0,0,0|1,0,1]=4 213 B7R0.6 CC(N)CCC(=O)O MC435302 [1,1,0,0,0,0|0,0,0]=2 214 B7R0.6 CN(C)CCC(=O)O CS12169 [1,1,0,0,0,0|1,0,0]=3 215 B7R0.6 O=C(O)CC[N+](=O)[O-] MC442448 [1,1,0,0,0,0|2,0,0]=4 216 B7R0.8 CCCCS(=O)(=O)Cl MC32076 [1,1,0,0,0,0|1,0,1]=4 217 B7R0.8 CCCCS(=O)(=O)F MC32077 [1,1,0,0,0,0|1,0,1]=4 218 B7R0.8 CCCCS(=O)(=O)O MC32078 [1,1,0,0,0,0|1,0,0]=3 219 B7R0.8 CCCCS(=O)(=O)[O-] MC32079 [1,1,0,0,0,0|1,0,1]=4 220 B7R0.8 CCCCS(N)(=O)=O MC32080 [1,1,0,0,0,0|1,0,1]=4 221 B7R0.8 NCCCP(=O)(O)O CS22520 [1,1,0,0,0,0|2,0,0]=4 222 B7R0.8 NCCCS(=O)(=O)O MC20858 [1,1,0,0,0,0|2,0,0]=4 223 B7R0.1 COCCOCCN MC431493 [1,1,0,0,0,0|1,0,1]=4 224 B9R0.5 CCOC(=O)CCCCBr CS13726 [0,2,0,0,0,0|0,0,0]=2 225 B9R0.5 CCOC(=O)CCCCN CS14354 [0,2,0,0,0,0|0,0,0]=2 226 B9R0.5 CCOC(=O)CNCCN MC436180 [0,2,0,0,0,0|1,0,0]=3 227 B9R0.5 CCO\C=C\C(=O)OCC MC20656 [0,2,0,0,0,0|0,0,2]=4 228 B9R0.8 CCCCC(N)C(=O)OC MC438018 [0,2,0,0,0,0|0,0,0]=2 229 B9R0.8 CCCCC(N)C(=O)OC MC438019 [0,2,0,0,0,0|0,0,0]=2 230 B9R0.8 COC(=O)C(N)CCCN MC438048 [0,2,0,0,0,0|0,0,0]=2 231 B9R0.8 COC(=O)C(N)CCSC MC437955 [0,2,0,0,0,0|0,0,0]=2 232 B9R0.8 COC(=O)C(N)CCSC MC437956 [0,2,0,0,0,0|0,0,0]=2 233 B9R0.8 COC(=O)C(N)CCSC MC439011 [0,2,0,0,0,0|0,0,0]=2 234 B9R0.18 O=C(CCCCl)CCCCl CS14305 [0,2,0,0,0,0|2,0,0]=4 235 B9R0.34 CCOC(=O)CC(=O)CBr CS13599 [0,2,0,0,0,0|1,0,1]=4 236 B9R0.34 CCOC(=O)CC(=O)CC CS11391 [0,2,0,0,0,0|0,0,1]=3 237 B9R0.34 CCOC(=O)CC(=O)CN MC116410 [0,2,0,0,0,0|1,0,1]=4 238 B9R0.34 CCOC(=O)CC(=O)NC MC106824 [0,2,0,0,0,0|1,0,1]=4 239 B9R0.34 COCC(=O)CC(=O)OC MC20562 [0,2,0,0,0,0|0,0,1]=3 240 B9R0.35 CCCC(=O)C(=O)OCC CS14582 [0,2,0,0,0,0|0,0,1]=3 241 B9R0.35 CCCC(N)C(=O)OCC MC439184 [0,2,0,0,0,0|0,0,0]=2 242 B9R0.35 CCOC(=N)C(=O)OCC CS13440 [0,2,0,0,0,0|1,0,1]=4 243 B9R0.35 CCOC(=O)C(=O)OCC MC41888 [0,2,0,0,0,0|1,0,1]=4 244 B9R0.48 CCOC(=O)CCC(=O)Cl MC40471 [0,2,0,0,0,0|1,0,1]=4 245 B9R0.48 CCOC(=O)CCC(=O)O CS11693 [0,2,0,0,0,0|1,0,1]=4 246 B9R0.48 CCOC(=O)CC[N+](=O)[O-] MC442447 [0,2,0,0,0,0|2,0,0]=4 247 B9R0.48 CCOC(=O)CNC(C)=O MC439004 [0,2,0,0,0,0|1,0,1]=4 248 B9R0.23 CC(C)CC(N)C(=O)CCl MC437823 [0,2,0,0,0,0|2,0,0]=4 249 B9R0.23 CCC(=O)C(C)CN(C)C CS12103 [0,2,0,0,0,0|2,0,0]=4 250 B9R0.23 COC(=O)C(=O)CC(C)=O MC446700 [0,2,0,0,0,0|0,0,2]=4 251 B9R0.23 COC(=O)C(C)NC(C)=O MC436018 [0,2,0,0,0,0|1,0,1]=4 252 B9R0.23 COC(=O)C(C)NC(C)=O MC436019 [0,2,0,0,0,0|1,0,1]=4 253 B9R0.23 COC(=O)C(N)CC(=O)O MC436253 [0,2,0,0,0,0|1,0,1]=4 254 B9R0.23 COC(=O)C(N)CC(=O)O MC436254 [0,2,0,0,0,0|1,0,1]=4 255 B9R0.23 COC(=O)C(N)CC(=O)O MC436255 [0,2,0,0,0,0|1,0,1]=4 256 B9R0.23 COC(=O)C(N)CC(=O)O MC436271 [0,2,0,0,0,0|1,0,1]=4 257 B9R0.23 COC(=O)C(N)CC(C)C CS22260 [0,2,0,0,0,0|0,0,0]=2 258 B9R0.23 COC(=O)C(N)CC(C)C MC437840 [0,2,0,0,0,0|0,0,0]=2 259 B9R0.23 COC(=O)C(N)CC(C)C MC437841 [0,2,0,0,0,0|0,0,0]=2 260 B9R0.23 COC(=O)C(N)CC(N)=O MC436238 [0,2,0,0,0,0|1,0,1]=4 261 B9R0.27 CCC(=O)C(F)C(=O)OC MC439606 [0,2,0,0,0,0|0,0,1]=3 262 B9R0.27 CCC(C)C(N)C(=O)OC CS13864 [0,2,0,0,0,0|0,0,0]=2 263 B9R0.27 COC(=O)C(C)C(=O)OC CS11258 [0,2,0,0,0,0|1,0,1]=4 264 B9R0.27 COC(=O)C(Cl)C(=O)OC MC41890 [0,2,0,0,0,0|1,0,1]=4 265 B9R0.27 COC(=O)C(F)C(=O)OC CS22776 [0,2,0,0,0,0|1,0,1]=4 266 B9R0.1 COC(=O)\C=C\CN(C)C MC107341 [0,2,0,0,0,0|0,0,2]=4 267 B9R0.20 CCS(=O)(=O)CCCCN MC116554 [0,2,0,0,0,0|2,0,0]=4 268 B9R0.24 COC(=O)CCS(=O)OC MC425069 [0,2,0,0,0,0|1,0,0]=3 269 B9R0.24 COC(=O)CNC(=O)CN MC439205 [0,2,0,0,0,0|1,0,1]=4 270 B9R0.46 COC(=O)CCCCCN CS11662 [0,2,0,0,0,0|0,0,0]=2 271 B9R0.47 C=C(C)C(=O)NCCCN CS11712 [0,2,0,0,0,0|2,0,0]=4 272 B9R0.47 CCCCOC(=O)C(C)N CS15628 [0,2,0,0,0,0|1,0,0]=3 273 B9R0.13 CCCCC(NC)C(=O)O MC435132 [0,2,0,0,0,0|1,0,1]=4 274 B9R0.13 CCCCC(NC)C(=O)O MC435489 [0,2,0,0,0,0|1,0,1]=4 275 B9R0.42 CCC(=O)OC(Cl)C(C)C CS20670 [0,2,0,0,0,0|2,0,0]=4 276 B9R0.42 COC(=O)CC(=O)C(C)C CS11675 [0,2,0,0,0,0|0,0,1]=3 277 B9R0.42 COC(=O)CC(=O)C(C)F MC106085 [0,2,0,0,0,0|0,0,1]=3 278 B9R0.42 COC(=O)CC(N)C(=O)O CS13817 [0,2,0,0,0,0|1,0,1]=4 279 B9R0.42 COC(=O)CC(N)C(=O)O CS22944 [0,2,0,0,0,0|1,0,1]=4 280 B9R0.42 COC(=O)CC(N)C(=O)O MC436270 [0,2,0,0,0,0|1,0,1]=4 281 B9R0.21 COC(=O)CCC(C)(C)N MC112459 [0,2,0,0,0,0|0,0,0]=2 282 B9R0.26 COC(=O)CC(OC)OC CS12534 [0,2,0,0,0,0|1,0,0]=3 283 B7R1.1 COC1=NCCC1 CS10423 [1,0,0,1,0,0|1,0,0]=3 284 B7R1.1 COC1CCCN1 MC41692 [1,0,0,1,0,0|1,0,1]=4 285 B7R1.2 CC1=NC(C)CO1 MC428186 [1,0,0,1,0,0|2,0,0]=4 286 B7R1.2 CC1COC(=O)N1 CS14300 [1,0,0,1,0,0|1,0,0]=3 287 B7R1.2 CC1COC(=O)O1 MC428298 [1,0,0,1,0,0|1,0,0]=3 288 B7R1.2 CN1CCC(=O)C1 CS20760 [1,0,0,1,0,0|2,0,0]=4 289 B7R1.2 NC1CNC(=O)C1 MC103473 [1,0,0,1,0,0|2,0,0]=4 290 B7R1.2 NC1COC(=O)C1 CS14340 [1,0,0,1,0,0|1,0,0]=3 291 B7R1.2 NC1COC(=O)C1 CS14674 [1,0,0,1,0,0|1,0,0]=3 292 B7R1.2 O=C1CC(O)CN1 CS14706 [1,0,0,1,0,0|2,0,0]=4 293 B7R1.2 O=C1CC(O)CN1 CS16472 [1,0,0,1,0,0|2,0,0]=4 294 B7R1.2 O=C1CCC(I)C1 MC115016 [1,0,0,1,0,0|2,0,0]=4 295 B7R1.3 O=C1C=CCCC1 MC41883 [1,0,0,1,0,0|1,0,1]=4 296 B7R1.3 O=C1CCCCN1 MC429045 [1,0,0,1,0,0|1,0,0]=3 297 B7R1.3 O=C1CCCCO1 CS11208 [1,0,0,1,0,0|0,0,0]=2 298 B7R1.3 O=C1CCCNC1 CS14768 [1,0,0,1,0,0|2,0,0]=4 299 B7R1.3 O=C1CCCNC1 CS17767 [1,0,0,1,0,0|2,0,0]=4 300 B7R1.3 O=C1CCCOC1 MC31097 [1,0,0,1,0,0|2,0,0]=4 301 B7R1.3 O=C1CCNCC1 CS22790 [1,0,0,1,0,0|2,0,0]=4 302 B7R1.3 O=C1CCOCC1 CS13380 [1,0,0,1,0,0|2,0,0]=4 303 B7R1.3 O=C1CCSCC1 CS18797 [1,0,0,1,0,0|2,0,0]=4 304 B7R1.3 O=C1CNCCN1 CS19142 [1,0,0,1,0,0|2,0,0]=4 305 B7R1.3 O=C1CNCCO1 MC441004 [1,0,0,1,0,0|1,0,0]=3 306 B7R1.3 O=C1COCCN1 CS11697 [1,0,0,1,0,0|2,0,0]=4 307 B7R1.3 O=C1COCCO1 MC20725 [1,0,0,1,0,0|1,0,0]=3 308 B7R1.4 CC1OCCC1=O CS14135 [1,0,0,1,0,0|2,0,0]=4 309 B7R1.4 CN1CCCC1=O MC41699 [1,0,0,1,0,0|1,0,0]=3 310 B7R1.4 O=C1CCCC1Br MC445112 [1,0,0,1,0,0|2,0,0]=4 311 B7R1.8 O=C1CCC1CO MC104211 [1,0,0,1,0,0|2,0,0]=4 312 B7R1.8 O=C1CCC1CO MC104212 [1,0,0,1,0,0|2,0,0]=4 313 B7R1.8 O=C1CCC1CO MC104213 [1,0,0,1,0,0|2,0,0]=4 314 B7R1.22 COC(=O)C1CC1 MC41839 [1,0,0,1,0,0|0,0,0]=2 315 B7R1.22 O=C(CBr)C1CC1 MC433212 [1,0,0,1,0,0|2,0,0]=4 316 B7R1.12 CC1CC1C(=O)O MC100841 [1,0,0,1,0,0|0,0,0]=2 317 B7R1.12 CC1CC1C(=O)O MC103281 [1,0,0,1,0,0|0,0,0]=2 318 B7R1.12 CC1CC1C(N)=O MC425328 [1,0,0,1,0,0|1,0,0]=3 319 B7R1.12 NC(=O)C1CC1F MC102846 [1,0,0,1,0,0|2,0,0]=4 320 B7R1.12 O=C(O)C1CC1Br MC430635 [1,0,0,1,0,0|1,0,0]=3 321 B7R1.12 O=C(O)C1CC1F MC21162 [1,0,0,1,0,0|1,0,0]=3 322 B7R1.12 O=C(O)C1CC1F MC425300 [1,0,0,1,0,0|1,0,0]=3 323 B7R1.12 O=C(O)C1CC1F MC425301 [1,0,0,1,0,0|1,0,0]=3 324 B7R1.12 O=C(O)C1CC1F MC425302 [1,0,0,1,0,0|1,0,0]=3 325 B7R1.12 O=C(O)C1CC1F MC425316 [1,0,0,1,0,0|1,0,0]=3 326 B7R1.12 O=C(O)C1CC1I MC102749 [1,0,0,1,0,0|1,0,0]=3 327 B7R1.12 O=C(O)C1CC1I MC425298 [1,0,0,1,0,0|1,0,0]=3 328 B7R1.14 CC1(O)CCCC1 CS20768 [1,0,0,1,0,0|0,0,2]=4 329 B7R1.18 CC(O)C1CCC1 CS20672 [1,0,0,1,0,0|0,0,2]=4 330 B7R1.18 NC(=O)C1CNC1 MC10515 [1,0,0,1,0,0|2,0,0]=4 331 B7R1.18 NC(=O)C1CNC1 MC10516 [1,0,0,1,0,0|2,0,0]=4 332 B7R1.18 O=C(O)C1CCC1 CS22786 [1,0,0,1,0,0|0,0,0]=2 333 B7R1.18 O=C(O)C1CCN1 CS16493 [1,0,0,1,0,0|1,0,0]=3 334 B7R1.18 O=C(O)C1CCN1 CS16972 [1,0,0,1,0,0|1,0,0]=3 335 B7R1.18 O=C(O)C1CCN1 CS18844 [1,0,0,1,0,0|1,0,0]=3 336 B7R1.18 O=C(O)C1CCN1 MC436280 [1,0,0,1,0,0|1,0,0]=3 337 B7R1.18 O=C(O)C1CCO1 MC115721 [1,0,0,1,0,0|1,0,0]=3 338 B7R1.18 O=C(O)C1CNC1 CS16485 [1,0,0,1,0,0|1,0,0]=3 339 B7R1.18 O=C(O)C1COC1 CS22389 [1,0,0,1,0,0|1,0,0]=3 340 B7R1.18 O=C(O)C1CSC1 MC100118 [1,0,0,1,0,0|1,0,0]=3 341 B7R1.18 OB(O)C1CCC1 CS12533 [1,0,0,1,0,0|1,0,1]=4 342 B7R1.20 N=C(N)CC1CC1 MC114877 [1,0,0,1,0,0|2,0,0]=4 343 B7R1.20 O=C(O)CC1CC1 MC433946 [1,0,0,1,0,0|0,0,0]=2 344 B7R1.24 C1CNCCOC1 CS17007 [1,0,0,1,0,0|1,0,1]=4 345 B9R1.2 NCC1CCNC(=O)C1 MC101902 [0,1,0,1,0,0|2,0,0]=4 346 B9R1.2 NCC1CCNC(=O)C1 MC102333 [0,1,0,1,0,0|2,0,0]=4 347 B9R1.2 O=C1CC(CO)CCN1 MC444199 [0,1,0,1,0,0|2,0,0]=4 348 B9R1.2 O=C1COCC(CO)N1 CS17255 [0,1,0,1,0,0|2,0,0]=4 349 B9R1.7 CCCC1COC(=O)C1 MC426027 [0,1,0,1,0,0|0,0,0]=2 350 B9R1.15 CCC1CNCCC1=O CS17950 [0,1,0,1,0,0|2,0,0]=4 351 B9R1.15 COC1CCCNC1=O CS12712 [0,1,0,1,0,0|1,0,0]=3 352 B9R1.15 N#CC1CCCCC1=O MC33325 [0,1,0,1,0,0|1,0,1]=4 353 B9R1.15 O=CC1=C(Cl)CCCC1 MC107245 [0,1,0,1,0,0|2,0,0]=4 354 B9R1.33 COCC1CCCC1=O MC106167 [0,1,0,1,0,0|2,0,0]=4 355 B9R1.48 O=C1CCCCC(=O)C1 CS20375 [0,1,0,1,0,0|1,0,1]=4 356 B9R1.48 O=C1CCCNC(=O)C1 MC428135 [0,1,0,1,0,0|1,0,1]=4 357 B9R1.49 CN1CCCC(=O)CC1 CS13899 [0,1,0,1,0,0|1,0,0]=3 358 B9R1.50 O=C1CCCCCCN1 CS21316 [0,1,0,1,0,0|1,0,0]=3 359 B9R1.69 CC1CCC(=O)NC1=O MC427305 [0,1,0,1,0,0|1,0,1]=4 360 B9R1.69 CC1CN(C)C(=O)CN1 MC104410 [0,1,0,1,0,0|2,0,0]=4 361 B9R1.69 CC1CN(C)C(=O)CN1 MC105415 [0,1,0,1,0,0|2,0,0]=4 362 B9R1.69 CC1CNC(=O)CC1=O CS12978 [0,1,0,1,0,0|1,0,1]=4 363 B9R1.69 CN1CC(N)CCC1=O MC104028 [0,1,0,1,0,0|1,0,0]=3 364 B9R1.69 CN1CC(N)CCC1=O MC444375 [0,1,0,1,0,0|1,0,0]=3 365 B9R1.69 CN1CCC(=O)CC1=O MC105215 [0,1,0,1,0,0|1,0,1]=4 366 B9R1.69 CN1CCC(N)CC1=O MC105288 [0,1,0,1,0,0|1,0,0]=3 367 B9R1.73 CCOC(=O)C1CCC1 MC41840 [0,1,0,1,0,0|0,0,0]=2 368 B9R1.73 CCOC(=O)C1CNC1 CS11347 [0,1,0,1,0,0|1,0,0]=3 369 B9R1.183 CCOC(=O)C1CC1Br MC430633 [0,1,0,1,0,0|1,0,0]=3 370 B9R1.183 CCOC(=O)C1CC1F MC425315 [0,1,0,1,0,0|1,0,0]=3 371 B9R1.3 CC1C(=O)CCCC1=O CS10132 [0,1,0,1,0,0|1,0,1]=4 372 B9R1.3 CN1C(=O)CCCC1=O MC446647 [0,1,0,1,0,0|1,0,1]=4 373 B9R1.3 CN1CCCC(N)C1=O MC103467 [0,1,0,1,0,0|1,0,0]=3 374 B9R1.3 CN1CCCC(N)C1=O MC104792 [0,1,0,1,0,0|1,0,0]=3 375 B9R1.3 CN1CCCC(N)C1=O MC106967 [0,1,0,1,0,0|1,0,0]=3 376 B9R1.3 CN1CCCN(C)C1=O CS14637 [0,1,0,1,0,0|2,0,0]=4 377 B9R1.5 CN1CCCNCC1=O MC100103 [0,1,0,1,0,0|1,0,0]=3 378 B9R1.5 NC1CCCCNC1=O CS15569 [0,1,0,1,0,0|1,0,0]=3 379 B9R1.5 NC1CCCCNC1=O CS15816 [0,1,0,1,0,0|1,0,0]=3 380 B9R1.5 NC1CCCCNC1=O MC425745 [0,1,0,1,0,0|1,0,0]=3 381 B9R1.5 NC1CSCCNC1=O MC100169 [0,1,0,1,0,0|2,0,0]=4 382 B9R1.11 COC(=O)C1=CCCC1 CS18911 [0,1,0,1,0,0|0,0,1]=3 383 B9R1.11 COC(=O)C1C=CCN1 MC436937 [0,1,0,1,0,0|0,0,2]=4 384 B9R1.11 COC(=O)C1CCCN1 CS11440 [0,1,0,1,0,0|0,0,0]=2 385 B9R1.11 COC(=O)C1CCCN1 CS18447 [0,1,0,1,0,0|0,0,0]=2 386 B9R1.11 COC(=O)C1CCCN1 MC438131 [0,1,0,1,0,0|0,0,0]=2 387 B9R1.11 COC(=O)C1CCNC1 MC103933 [0,1,0,1,0,0|0,0,0]=2 388 B9R1.82 COC(=O)C1CC(=O)C1 CS13104 [0,1,0,1,0,0|0,0,1]=3 389 B9R1.82 COC(=O)C1CC(Br)C1 MC103784 [0,1,0,1,0,0|0,0,0]=2 390 B9R1.82 COC(=O)C1CC(Br)C1 MC103785 [0,1,0,1,0,0|0,0,0]=2 391 B9R1.82 COC(=O)C1CC(Cl)C1 MC444530 [0,1,0,1,0,0|0,0,0]=2 392 B9R1.82 COC(=O)C1CC(N)C1 CS15952 [0,1,0,1,0,0|0,0,0]=2 393 B9R1.82 COC(=O)C1CC(N)C1 MC103928 [0,1,0,1,0,0|0,0,0]=2 394 B9R1.82 COC(=O)C1CC(N)C1 MC103997 [0,1,0,1,0,0|0,0,0]=2 395 B9R1.82 COC(=O)C1CC(N)C1 MC444564 [0,1,0,1,0,0|0,0,0]=2 396 B9R1.82 COC(=O)C1CC(O)C1 MC444276 [0,1,0,1,0,0|0,0,0]=2 397 B9R1.82 COC(=O)C1CC(O)C1 MC444557 [0,1,0,1,0,0|0,0,0]=2 398 B9R1.82 COC(=O)C1CC(O)C1 MC444565 [0,1,0,1,0,0|0,0,0]=2 399 B9R1.101 COC(=O)C(N)C1CC1 MC106086 [0,1,0,1,0,0|0,0,0]=2 400 B9R1.132 CN1C(=O)CCC1CO MC102373 [0,1,0,1,0,0|1,0,0]=3 401 B9R1.186 COC(=O)C1(F)CNC1 MC103807 [0,1,0,1,0,0|1,0,0]=3 402 B9R1.186 COC(=O)C1(N)CCC1 CS11175 [0,1,0,1,0,0|0,0,0]=2 403 B9R1.186 COC(=O)C1(N)COC1 MC102005 [0,1,0,1,0,0|1,0,0]=3 404 B9R1.1 CNC1CCC(=O)CC1 CS14610 [0,1,0,1,0,0|1,0,0]=3 405 B9R1.1 COC1CCC(=O)CC1 CS14437 [0,1,0,1,0,0|1,0,0]=3 406 B9R1.1 COC1CCC(N)CC1 CS13257 [0,1,0,1,0,0|1,0,1]=4 407 B9R1.1 COC1CCC(N)CC1 MC429972 [0,1,0,1,0,0|1,0,1]=4 408 B9R1.1 COC1CCC(O)CC1 CS15906 [0,1,0,1,0,0|1,0,1]=4 409 B9R1.1 N#CC1CCC(=O)CC1 CS13355 [0,1,0,1,0,0|1,0,1]=4 410 B9R1.1 NCC1CCC(=O)NC1 MC101985 [0,1,0,1,0,0|1,0,0]=3 411 B9R1.1 O=CC1CCC(=O)CC1 MC112097 [0,1,0,1,0,0|1,0,1]=4 412 B9R1.79 COC(=O)C=C1COC1 MC444517 [0,1,0,1,0,0|0,0,2]=4 413 B9R1.79 COC(=O)CC1CNC1 MC113002 [0,1,0,1,0,0|0,0,0]=2 414 B9R1.79 COC(=O)CC1CNC1 MC444523 [0,1,0,1,0,0|0,0,0]=2 415 B9R1.81 COC(=O)C1CCC1N MC103768 [0,1,0,1,0,0|0,0,0]=2 416 B9R1.89 COC1CCCNCC1 MC101899 [0,1,0,1,0,0|1,0,1]=4 417 B9R1.35 CC(C)C1COC(=O)N1 CS22803 [0,1,0,1,0,0|1,0,0]=3 418 B9R1.40 CC1(C)CCCOC1=O MC112082 [0,1,0,1,0,0|2,0,0]=4 419 B9R1.40 CC1(C)COCCC1=O CS16380 [0,1,0,1,0,0|2,0,0]=4 420 B9R1.110 CN(C)C(=O)C1CNC1 MC113079 [0,1,0,1,0,0|2,0,0]=4 421 B9R1.10 C=C1CCC(C)(C)CC1 MC105700 [0,1,0,1,0,0|2,0,0]=4 422 B9R1.10 CC1(C)CCC(=O)CC1 CS22420 [0,1,0,1,0,0|1,0,0]=3 423 B9R1.10 CC1(O)CCC(=O)CC1 CS14351 [0,1,0,1,0,0|1,0,0]=3 424 B9R1.10 O=C1CCC(F)(F)CC1 MC10539 [0,1,0,1,0,0|2,0,0]=4 425 B9R1.10 O=C1CCC(F)(F)CN1 MC105162 [0,1,0,1,0,0|2,0,0]=4 426 B9R2.19 O=C1NCC2CC1N2 MC105469 [0,0,0,2,0,0|2,0,0]=4 427 B9R2.109 O=C1CCCC2CC12 MC102253 [0,0,0,2,0,0|1,0,0]=3