0 B8R1.3 C=C1CCC(=O)CC1 MC106742 [0,0,0,0,0,0|0,0,2]=2 1 B8R1.3 C=C1CCC(C)CC1 MC105701 [0,0,0,0,0,0|1,0,0]=1 2 B8R1.3 CC1CNC(C)CN1 CS14078 [0,0,0,0,0,0|3,0,1]=4 3 B8R1.3 CC1CNC(C)CN1 MC103638 [0,0,0,0,0,0|3,0,1]=4 4 B8R1.3 CC1COC(C)CN1 MC107001 [0,0,0,0,0,0|3,0,1]=4 5 B8R1.3 CC1COC(C)CN1 MC107002 [0,0,0,0,0,0|3,0,1]=4 6 B8R1.3 CN1CC=C(Br)CC1 MC425142 [0,0,0,0,0,0|2,0,1]=3 7 B8R1.3 CN1CCC(=O)CC1 CS18410 [0,0,0,0,0,0|1,0,0]=1 8 B8R1.3 CN1CCC(Cl)CC1 CS18485 [0,0,0,0,0,0|2,0,1]=3 9 B8R1.3 CN1CCC(N)CC1 CS18628 [0,0,0,0,0,0|2,0,1]=3 10 B8R1.3 CN1CCC(O)CC1 CS13491 [0,0,0,0,0,0|1,0,2]=3 11 B8R1.3 NC1CCC(=O)CC1 CS22583 [0,0,0,0,0,0|1,0,0]=1 12 B8R1.3 NC1CCC(=O)NC1 MC113024 [0,0,0,0,0,0|2,0,0]=2 13 B8R1.3 NC1CCC(=O)NC1 MC444382 [0,0,0,0,0,0|2,0,0]=2 14 B8R1.3 NC1CCC(N)CC1 CS18629 [0,0,0,0,0,0|2,0,1]=3 15 B8R1.3 NC1CCC(N)CC1 MC20732 [0,0,0,0,0,0|2,0,1]=3 16 B8R1.3 NC1CCC(O)CC1 CS12038 [0,0,0,0,0,0|1,0,2]=3 17 B8R1.3 NC1CCC(O)CC1 CS15381 [0,0,0,0,0,0|1,0,2]=3 18 B8R1.3 NC1CCC(O)CC1 CS18581 [0,0,0,0,0,0|1,0,2]=3 19 B8R1.3 NC1CCC(O)CC1 CS18592 [0,0,0,0,0,0|1,0,2]=3 20 B8R1.3 O=C1CCC(=O)CC1 CS19236 [0,0,0,0,0,0|1,0,1]=2 21 B8R1.3 O=C1CCC(=O)NC1 CS21155 [0,0,0,0,0,0|2,0,1]=3 22 B8R1.3 O=C1CCC(O)CC1 CS22889 [0,0,0,0,0,0|1,0,0]=1 23 B8R1.3 OC1CCC(O)CC1 CS20531 [0,0,0,0,0,0|1,0,2]=3 24 B8R1.3 OC1CCC(O)CC1 MC103601 [0,0,0,0,0,0|1,0,2]=3 25 B7R1.3 BrC1CCCCC1 CS11079 [1,0,0,0,0,0|1,0,1]=3 26 B7R1.3 BrC1CCNCC1 CS18356 [1,0,0,0,0,0|2,0,0]=3 27 B7R1.3 BrC1CCOCC1 CS18193 [1,0,0,0,0,0|2,0,0]=3 28 B7R1.3 CC1CCCCN1 MC20418 [1,0,0,0,0,0|1,0,1]=3 29 B7R1.3 CC1CCCNC1 CS16133 [1,0,0,0,0,0|1,0,1]=3 30 B7R1.3 CC1CCCNC1 MC425227 [1,0,0,0,0,0|1,0,1]=3 31 B7R1.3 CC1CNCCN1 CS13503 [1,0,0,0,0,0|2,0,1]=4 32 B7R1.3 CC1CNCCN1 CS17164 [1,0,0,0,0,0|2,0,1]=4 33 B7R1.3 CC1CNCCN1 CS17167 [1,0,0,0,0,0|2,0,1]=4 34 B7R1.3 CC1CNCCO1 CS14515 [1,0,0,0,0,0|2,0,1]=4 35 B7R1.3 CC1CNCCO1 CS14521 [1,0,0,0,0,0|2,0,1]=4 36 B7R1.3 CC1CNCCO1 CS19299 [1,0,0,0,0,0|2,0,1]=4 37 B7R1.3 CC1CNCCO1 CS21692 [1,0,0,0,0,0|2,0,1]=4 38 B7R1.3 CC1CNCCO1 MC444038 [1,0,0,0,0,0|2,0,1]=4 39 B7R1.3 CC1CNCCO1 MC444192 [1,0,0,0,0,0|2,0,1]=4 40 B7R1.3 CC1COCCN1 CS14856 [1,0,0,0,0,0|2,0,1]=4 41 B7R1.3 CC1COCCN1 CS20285 [1,0,0,0,0,0|2,0,1]=4 42 B7R1.3 CC1COCCN1 CS22371 [1,0,0,0,0,0|2,0,1]=4 43 B7R1.3 CC1COCCN1 CS22413 [1,0,0,0,0,0|2,0,1]=4 44 B7R1.3 CC1COCCN1 MC20820 [1,0,0,0,0,0|2,0,1]=4 45 B7R1.3 CN1CC=CCC1 CS20742 [1,0,0,0,0,0|1,0,1]=3 46 B7R1.3 CN1CCNCC1 MC20458 [1,0,0,0,0,0|2,0,0]=3 47 B7R1.3 ClC1CCNCC1 CS16938 [1,0,0,0,0,0|2,0,0]=3 48 B7R1.3 FC1CCCNC1 MC101908 [1,0,0,0,0,0|2,0,1]=4 49 B7R1.3 FC1CCCNC1 MC101918 [1,0,0,0,0,0|2,0,1]=4 50 B7R1.3 FC1CCCNC1 MC444270 [1,0,0,0,0,0|2,0,1]=4 51 B7R1.3 FC1CCNCC1 CS22845 [1,0,0,0,0,0|2,0,0]=3 52 B7R1.3 IC1CCOCC1 CS18194 [1,0,0,0,0,0|2,0,0]=3 53 B7R1.3 NC1CCCNC1 CS17178 [1,0,0,0,0,0|2,0,1]=4 54 B7R1.3 NC1CCCNC1 CS17182 [1,0,0,0,0,0|2,0,1]=4 55 B7R1.3 NC1CCCNC1 CS22655 [1,0,0,0,0,0|2,0,1]=4 56 B7R1.3 NC1CCOCC1 CS16997 [1,0,0,0,0,0|2,0,0]=3 57 B7R1.3 NC1CCOCC1 CS18985 [1,0,0,0,0,0|2,0,0]=3 58 B7R1.3 O=C1C=CCCC1 MC41883 [1,0,0,0,0,0|0,0,2]=3 59 B7R1.3 O=C1C=CCCN1 CS15771 [1,0,0,0,0,0|1,0,2]=4 60 B7R1.3 O=C1C=CCOC1 CS17023 [1,0,0,0,0,0|1,0,2]=4 61 B7R1.3 O=C1CCCCN1 MC429045 [1,0,0,0,0,0|1,0,0]=2 62 B7R1.3 O=C1CCCCO1 CS11208 [1,0,0,0,0,0|1,0,0]=2 63 B7R1.3 O=C1CCCNC1 CS14768 [1,0,0,0,0,0|1,0,0]=2 64 B7R1.3 O=C1CCCNC1 CS17767 [1,0,0,0,0,0|1,0,0]=2 65 B7R1.3 O=C1CCCOC1 MC31097 [1,0,0,0,0,0|1,0,0]=2 66 B7R1.3 O=C1CCNCC1 CS22790 [1,0,0,0,0,0|1,0,0]=2 67 B7R1.3 O=C1CCOCC1 CS13380 [1,0,0,0,0,0|1,0,0]=2 68 B7R1.3 O=C1CCSCC1 CS18797 [1,0,0,0,0,0|1,0,0]=2 69 B7R1.3 O=C1CNCCN1 CS19142 [1,0,0,0,0,0|2,0,0]=3 70 B7R1.3 O=C1CNCCO1 MC441004 [1,0,0,0,0,0|2,0,0]=3 71 B7R1.3 O=C1COCCN1 CS11697 [1,0,0,0,0,0|2,0,0]=3 72 B7R1.3 O=C1COCCO1 MC20725 [1,0,0,0,0,0|2,0,0]=3 73 B7R1.3 OC1CCCNC1 CS17016 [1,0,0,0,0,0|1,0,2]=4 74 B7R1.3 OC1CCCNC1 CS17020 [1,0,0,0,0,0|1,0,2]=4 75 B7R1.3 OC1CCCNC1 CS22642 [1,0,0,0,0,0|1,0,2]=4 76 B7R1.3 OC1CCCOC1 CS17782 [1,0,0,0,0,0|1,0,2]=4 77 B7R1.3 OC1CCNCC1 CS14900 [1,0,0,0,0,0|2,0,0]=3 78 B7R1.3 OC1CCNCC1 CS22643 [1,0,0,0,0,0|2,0,0]=3 79 B7R1.3 OC1CCOCC1 CS13929 [1,0,0,0,0,0|2,0,0]=3 80 B7R1.3 OC1CCSCC1 CS12012 [1,0,0,0,0,0|2,0,0]=3 81 B7R1.3 SC1CCCNC1 MC105166 [1,0,0,0,0,0|1,1,1]=4 82 B7R1.3 SC1CCOCC1 MC107026 [1,0,0,0,0,0|2,0,0]=3 83 B9R1.1 CC1CCC(C#N)CN1 MC115577 [0,1,0,0,0,0|2,0,1]=4 84 B9R1.1 CN1CCC(CN)CC1 CS21766 [0,1,0,0,0,0|2,0,0]=3 85 B9R1.1 CN1CCC(CO)CC1 CS19632 [0,1,0,0,0,0|2,0,0]=3 86 B9R1.1 CN1CCC([Mg]Cl)CC1 MC121320 [0,1,0,0,0,0|2,0,1]=4 87 B9R1.1 CNC1CCC(=O)CC1 CS14610 [0,1,0,0,0,0|0,0,0]=1 88 B9R1.1 CNC1CCC(O)CC1 MC103812 [0,1,0,0,0,0|0,0,2]=3 89 B9R1.1 CNC1CCN(C)CC1 CS18451 [0,1,0,0,0,0|2,0,0]=3 90 B9R1.1 COC1CCC(=O)CC1 CS14437 [0,1,0,0,0,0|0,0,0]=1 91 B9R1.1 COC1CCC(N)CC1 CS13257 [0,1,0,0,0,0|1,0,1]=3 92 B9R1.1 COC1CCC(N)CC1 MC429972 [0,1,0,0,0,0|1,0,1]=3 93 B9R1.1 COC1CCC(O)CC1 CS15906 [0,1,0,0,0,0|0,0,2]=3 94 B9R1.1 N#CC1CCC(=O)CC1 CS13355 [0,1,0,0,0,0|0,0,1]=2 95 B9R1.1 N#CC1CCC(O)CC1 CS14344 [0,1,0,0,0,0|0,0,3]=4 96 B9R1.1 NC1CCC(CO)CC1 MC425647 [0,1,0,0,0,0|1,0,1]=3 97 B9R1.1 NCC1CCC(=O)NC1 MC101985 [0,1,0,0,0,0|1,0,0]=2 98 B9R1.1 NCC1CCC(O)CC1 MC102788 [0,1,0,0,0,0|0,0,2]=3 99 B9R1.1 NCC1CCC(O)CC1 MC103405 [0,1,0,0,0,0|0,0,2]=3 100 B9R1.1 NCC1CCC(O)CC1 MC104233 [0,1,0,0,0,0|0,0,2]=3 101 B9R1.1 O=CC1CCC(=O)CC1 MC112097 [0,1,0,0,0,0|0,0,1]=2 102 B9R1.10 C=C1CCC(C)(C)CC1 MC105700 [0,1,0,0,0,0|1,0,0]=2 103 B9R1.10 CC1(C)CCC(=O)CC1 CS22420 [0,1,0,0,0,0|0,0,0]=1 104 B9R1.10 CC1(C)CCC(O)CC1 CS22482 [0,1,0,0,0,0|0,0,2]=3 105 B9R1.10 CC1(C)OCC(=O)CO1 MC425473 [0,1,0,0,0,0|2,0,0]=3 106 B9R1.10 CC1(N)CCC(O)CC1 MC103484 [0,1,0,0,0,0|0,0,2]=3 107 B9R1.10 CC1(O)CCC(=O)CC1 CS14351 [0,1,0,0,0,0|0,0,0]=1 108 B9R1.10 CC1(O)CCC(N)CC1 MC102206 [0,1,0,0,0,0|1,0,1]=3 109 B9R1.10 CC1(O)CCC(N)CC1 MC102207 [0,1,0,0,0,0|1,0,1]=3 110 B9R1.10 CC1(O)CCC(N)CC1 MC102208 [0,1,0,0,0,0|1,0,1]=3 111 B9R1.10 NC1CCC(F)(F)CC1 MC113813 [0,1,0,0,0,0|2,0,1]=4 112 B9R1.10 NC1CCC(F)(F)CC1 MC444299 [0,1,0,0,0,0|2,0,1]=4 113 B9R1.10 NC1CCC(F)(F)CC1 MC445108 [0,1,0,0,0,0|2,0,1]=4 114 B9R1.10 NC1CCS(=O)(=O)CC1 CS22595 [0,1,0,0,0,0|2,0,0]=3 115 B9R1.10 NC1CCS(=O)(=O)CC1 MC444070 [0,1,0,0,0,0|2,0,0]=3 116 B9R1.10 O=C1CCC(F)(F)CC1 MC10539 [0,1,0,0,0,0|1,0,0]=2 117 B9R1.10 O=C1CCC(F)(F)CN1 MC105162 [0,1,0,0,0,0|2,0,0]=3 118 B9R1.10 O=C1CCS(=O)(=O)CC1 CS15032 [0,1,0,0,0,0|2,0,0]=3 119 B9R1.10 OC1CCC(F)(F)CC1 CS12250 [0,1,0,0,0,0|1,0,2]=4 120 B9R1.69 CC1CC(N)CCN1C MC104351 [0,1,0,0,0,0|2,0,1]=4 121 B9R1.69 CC1CCC(=O)NC1=O MC427305 [0,1,0,0,0,0|1,0,1]=3 122 B9R1.69 CC1CN(C)C(=O)CN1 MC104410 [0,1,0,0,0,0|2,0,0]=3 123 B9R1.69 CC1CN(C)C(=O)CN1 MC105415 [0,1,0,0,0,0|2,0,0]=3 124 B9R1.69 CC1CNC(=O)CC1=O CS12978 [0,1,0,0,0,0|1,0,1]=3 125 B9R1.69 CN1CC(N)CCC1=O MC104028 [0,1,0,0,0,0|2,0,0]=3 126 B9R1.69 CN1CC(N)CCC1=O MC444375 [0,1,0,0,0,0|2,0,0]=3 127 B9R1.69 CN1CCC(=O)CC1=O MC105215 [0,1,0,0,0,0|1,0,1]=3 128 B9R1.69 NC1CCC(=O)NC1=O CS13348 [0,1,0,0,0,0|2,0,1]=4 129 B9R1.69 NC1CCC(=O)NC1=O MC105196 [0,1,0,0,0,0|2,0,1]=4 130 B9R1.69 O=C1CCC(Br)C(=O)N1 MC106801 [0,1,0,0,0,0|2,0,1]=4 131 B7R0.3 C#CCCC(=O)OC MC424002 [0,0,1,0,0,0|1,0,2]=4 132 B7R0.3 C=CCCC(O)CCl MC114485 [0,0,1,0,0,0|3,0,0]=4 133 B7R0.3 CCC(O)CCCO MC116029 [0,0,1,0,0,0|1,0,2]=4 134 B7R0.3 COC(=O)CCC=O MC21172 [0,0,1,0,0,0|2,0,1]=4 135 B7R0.3 COC(=O)CCCBr MC427387 [0,0,1,0,0,0|2,0,0]=3 136 B7R0.3 COC(=O)CCCN MC439309 [0,0,1,0,0,0|2,0,0]=3 137 B7R0.3 COCCC(=O)NN MC111753 [0,0,1,0,0,0|3,0,0]=4 138 B7R0.6 C=C(C)CCC(=O)O CS16527 [0,0,1,0,0,0|1,0,2]=4 139 B7R0.6 CC(=O)CCC(=O)O CS18688 [0,0,1,0,0,0|2,0,1]=4 140 B7R0.6 CC(C)CCC(=O)Cl MC20895 [0,0,1,0,0,0|1,0,0]=2 141 B7R0.6 CC(C)CCC(C)N MC446673 [0,0,1,0,0,0|1,0,1]=3 142 B7R0.6 CC(C)CO[N+](=O)[O-] MC434046 [0,0,1,0,0,0|3,0,0]=4 143 B7R0.6 CC(N)CCC(=O)O MC435302 [0,0,1,0,0,0|2,0,0]=3 144 B7R0.6 CN(C)CCC(=O)O CS12169 [0,0,1,0,0,0|2,0,0]=3 145 B7R0.6 CN(C)CCN(C)C MC425151 [0,0,1,0,0,0|3,0,0]=4 146 B7R0.6 CN(C)CCN(C)C MC444920 [0,0,1,0,0,0|3,0,0]=4 147 B9R2.19 O=C1NCC2CC1N2 MC105469 [0,0,0,1,0,0|2,0,0]=3 148 B9R2.49 C1CC2CCC1CN2 MC425241 [0,0,0,1,0,0|1,0,1]=3 149 B9R2.49 C1CC2CNC1CO2 MC103904 [0,0,0,1,0,0|1,0,2]=4 150 B9R2.49 C1CC2CNC1CO2 MC444195 [0,0,0,1,0,0|1,0,2]=4 151 B9R2.49 C1CN2CCC1CC2 MC440084 [0,0,0,1,0,0|2,0,0]=3 152 B9R2.49 C1CN2CCN1CC2 MC20766 [0,0,0,1,0,0|3,0,0]=4 153 B9R2.54 CN1CC2C(N)C2C1 MC444499 [0,0,0,1,0,0|2,0,1]=4 154 B7R1.2 CC1=CC(=O)CC1 CS22356 [0,0,0,0,1,0|0,0,2]=3 155 B7R1.2 CC1=CC(=O)CO1 MC429080 [0,0,0,0,1,0|1,0,2]=4 156 B7R1.2 CC1=NC(C)CO1 MC428186 [0,0,0,0,1,0|3,0,0]=4 157 B7R1.2 CC1=NNC(=O)C1 CS16242 [0,0,0,0,1,0|2,0,1]=4 158 B7R1.2 CC1CCC(C)N1 MC102818 [0,0,0,0,1,0|2,0,1]=4 159 B7R1.2 CC1COC(=O)N1 CS14300 [0,0,0,0,1,0|2,0,0]=3 160 B7R1.2 CC1COC(=O)O1 MC428298 [0,0,0,0,1,0|2,0,0]=3 161 B7R1.2 CN1CCC(=O)C1 CS20760 [0,0,0,0,1,0|1,0,0]=2 162 B7R1.2 CN1CCC(N)C1 MC444033 [0,0,0,0,1,0|2,0,1]=4 163 B7R1.2 CN1CCC(N)C1 MC444055 [0,0,0,0,1,0|2,0,1]=4 164 B7R1.2 CN1CCC(N)C1 MC444130 [0,0,0,0,1,0|2,0,1]=4 165 B7R1.2 CN1CCC(O)C1 MC20690 [0,0,0,0,1,0|1,0,2]=4 166 B7R1.2 CN1CCC(O)C1 MC444062 [0,0,0,0,1,0|1,0,2]=4 167 B7R1.2 CN1CCC(O)C1 MC444273 [0,0,0,0,1,0|1,0,2]=4 168 B7R1.2 NC1CCC(O)C1 CS12946 [0,0,0,0,1,0|1,0,2]=4 169 B7R1.2 NC1CCC(O)C1 CS14798 [0,0,0,0,1,0|1,0,2]=4 170 B7R1.2 NC1CCC(O)C1 CS15869 [0,0,0,0,1,0|1,0,2]=4 171 B7R1.2 NC1CCC(O)C1 CS16172 [0,0,0,0,1,0|1,0,2]=4 172 B7R1.2 NC1CNC(=O)C1 MC103473 [0,0,0,0,1,0|2,0,0]=3 173 B7R1.2 NC1COC(=O)C1 CS14340 [0,0,0,0,1,0|2,0,0]=3 174 B7R1.2 NC1COC(=O)C1 CS14674 [0,0,0,0,1,0|2,0,0]=3 175 B7R1.2 O=C1CC(O)CN1 CS14706 [0,0,0,0,1,0|2,0,0]=3 176 B7R1.2 O=C1CC(O)CN1 CS16472 [0,0,0,0,1,0|2,0,0]=3 177 B7R1.2 O=C1CCC(=O)N1 MC41707 [0,0,0,0,1,0|2,0,1]=4 178 B7R1.2 O=C1CCC(I)C1 MC115016 [0,0,0,0,1,0|1,0,0]=2 179 B7R1.2 O=C1CNC(=O)C1 MC116520 [0,0,0,0,1,0|2,0,1]=4 180 B9R1.49 CN1CCCC(=O)CC1 CS13899 [0,0,0,0,0,1|1,0,0]=2 181 B9R1.49 CN1CCCC(N)CC1 MC444311 [0,0,0,0,0,1|2,0,1]=4 182 B9R1.49 CN1CCCC(O)CC1 CS13879 [0,0,0,0,0,1|1,0,2]=4 183 B6R0.1 CCC(C)CCBr MC112369 [1,0,1,0,0,0|1,0,0]=3 184 B6R0.1 CCCC(=O)NN CS22544 [1,0,1,0,0,0|2,0,0]=4 185 B6R0.1 CCCC(C)CBr MC112368 [1,0,1,0,0,0|1,0,1]=4 186 B6R0.1 CCNC(=O)NC MC428152 [1,0,1,0,0,0|2,0,0]=4 187 B6R0.1 CCOC(=O)CBr MC41907 [1,0,1,0,0,0|2,0,0]=4 188 B6R0.1 CCOC(=O)CCl MC41910 [1,0,1,0,0,0|2,0,0]=4 189 B6R0.1 CCOC(=O)CN CS15347 [1,0,1,0,0,0|2,0,0]=4 190 B6R0.1 CCOC(=O)CO CS11386 [1,0,1,0,0,0|2,0,0]=4 191 B6R0.1 CNC(=O)CCN MC112263 [1,0,1,0,0,0|2,0,0]=4 192 B6R0.1 CNCC(=O)OC MC438154 [1,0,1,0,0,0|2,0,0]=4 193 B6R0.1 COC(=O)CCBr CS18993 [1,0,1,0,0,0|2,0,0]=4 194 B6R0.1 COC(=O)CCN CS22266 [1,0,1,0,0,0|2,0,0]=4 195 B6R0.4 CC(=O)CCCBr CS10305 [1,0,1,0,0,0|1,0,0]=3 196 B6R0.4 CC(=O)CCCCl CS10334 [1,0,1,0,0,0|1,0,0]=3 197 B6R0.4 CC(=O)NCCCl MC33011 [1,0,1,0,0,0|2,0,0]=4 198 B6R0.4 CC(C)CCC=O MC428026 [1,0,1,0,0,0|0,0,0]=2 199 B6R0.4 CC(C)CCCO MC428025 [1,0,1,0,0,0|0,0,2]=4 200 B6R0.4 CCCCC(=O)Cl MC40508 [1,0,1,0,0,0|1,0,0]=3 201 B6R0.4 CNCCN(C)C CS11723 [1,0,1,0,0,0|2,0,0]=4 202 B6R0.4 CNCCN(C)C CS15131 [1,0,1,0,0,0|2,0,0]=4 203 B6R0.4 NCCCC(=O)O CS14998 [1,0,1,0,0,0|2,0,0]=4 204 B6R0.4 NCCCC(N)=O MC112262 [1,0,1,0,0,0|2,0,0]=4 205 B6R0.4 O=C(Cl)CCCCl MC40450 [1,0,1,0,0,0|2,0,0]=4 206 B6R0.4 O=C(O)CCCBr CS14053 [1,0,1,0,0,0|2,0,0]=4 207 B6R0.6 C=CCCCCCl MC427568 [1,0,1,0,0,0|2,0,0]=4 208 B6R0.6 C=CCCCCN MC111853 [1,0,1,0,0,0|2,0,0]=4 209 B6R0.6 C=CCCCCO CS10397 [1,0,1,0,0,0|2,0,0]=4 210 B6R0.6 COCCCC=O MC111975 [1,0,1,0,0,0|1,0,0]=3 211 B6R1.1 C1=CCNCC1 MC444071 [2,0,0,0,0,0|1,0,1]=4 212 B6R1.1 C1=CCOCC1 MC427315 [2,0,0,0,0,0|1,0,1]=4 213 B6R1.1 C1=CCSCC1 MC427366 [2,0,0,0,0,0|1,0,1]=4 214 B6R1.1 C1=COCCC1 MC20500 [2,0,0,0,0,0|1,0,1]=4 215 B6R1.1 C1CCCCC1 MC41853 [2,0,0,0,0,0|0,0,1]=3 216 B6R1.1 C1CCNNC1 CS17893 [2,0,0,0,0,0|2,0,0]=4 217 B6R1.1 C1CC[NH2+]CC1 CS16333 [2,0,0,0,0,0|1,0,0]=3 218 B6R1.1 C1CNCCN1 MC41703 [2,0,0,0,0,0|2,0,0]=4 219 B6R1.1 C1COCCN1 MC20726 [2,0,0,0,0,0|2,0,0]=4 220 B6R1.1 C1CSCCN1 MC20759 [2,0,0,0,0,0|2,0,0]=4 221 B8R0.1 C#CCCC(=O)OCC MC424003 [0,1,1,0,0,0|0,0,2]=4 222 B8R0.1 CCCC(C)CCCO MC112367 [0,1,1,0,0,0|0,0,2]=4 223 B8R0.1 CCOC(=O)CCCO MC111642 [0,1,1,0,0,0|1,0,0]=3 224 B8R0.3 CCCC(N)C(=O)OC MC438026 [0,1,1,0,0,0|1,0,0]=3 225 B8R0.3 CCOC(=O)C(=O)CC CS13439 [0,1,1,0,0,0|1,0,1]=4 226 B8R0.3 COC(=O)C(Br)CCBr MC41887 [0,1,1,0,0,0|2,0,0]=4 227 B8R0.3 O=CCC(O)C(O)CO CS21863 [0,1,1,0,0,0|2,0,0]=4 228 B8R0.6 CCCCNC(=O)CCl CS11766 [0,1,1,0,0,0|1,0,0]=3 229 B8R0.6 CCCSCC(=O)OC MC434048 [0,1,1,0,0,0|1,0,0]=3 230 B8R0.8 CN(C)C(=O)CCCN MC112306 [0,1,1,0,0,0|2,0,0]=4 231 B8R0.19 CCC(=O)CC(=O)CC CS22007 [0,1,1,0,0,0|0,0,1]=3 232 B8R0.19 CCC(=O)CC(=O)OC CS18389 [0,1,1,0,0,0|1,0,1]=4 233 B8R0.19 COC(=O)CC(O)CCl CS18252 [0,1,1,0,0,0|2,0,0]=4 234 B8R0.23 CC(=O)CC(=O)C(C)C MC41930 [0,1,1,0,0,0|0,0,1]=3 235 B8R0.23 CC(C)C(C)CC(=O)O MC112320 [0,1,1,0,0,0|1,0,0]=3 236 B8R0.23 CC(C)CC(Br)C(=O)O CS14792 [0,1,1,0,0,0|1,0,0]=3 237 B8R0.23 CC(C)CC(N)C(=O)O CS18600 [0,1,1,0,0,0|1,0,0]=3 238 B8R0.23 CC(C)CC(N)C(=O)O CS18604 [0,1,1,0,0,0|1,0,0]=3 239 B8R0.23 CC(C)CC(N)C(=O)O CS22248 [0,1,1,0,0,0|1,0,0]=3 240 B8R0.23 CC(C)CC(N)C(N)=O MC437832 [0,1,1,0,0,0|1,0,0]=3 241 B8R0.23 CC(C)CC(N)C(N)=O MC437833 [0,1,1,0,0,0|1,0,0]=3 242 B8R0.23 CC(C)CC(N)C(N)=O MC437834 [0,1,1,0,0,0|1,0,0]=3 243 B8R0.23 CC(C)CC(N)C(N)=O MC437835 [0,1,1,0,0,0|1,0,0]=3 244 B8R0.23 CC(C)CC(N)C(N)=O MC437836 [0,1,1,0,0,0|1,0,0]=3 245 B8R0.23 CC(C)CC(O)C(=O)O MC426019 [0,1,1,0,0,0|1,0,0]=3 246 B8R0.23 CC(C)CC(O)C(=O)O MC437768 [0,1,1,0,0,0|1,0,0]=3 247 B8R0.23 CC(C)CC(O)C(=O)O MC446675 [0,1,1,0,0,0|1,0,0]=3 248 B8R0.29 CC(C)(C)NCC(=O)O MC42032 [0,1,1,0,0,0|2,0,0]=4 249 B8R1.2 BrCC1=CCCCC1 MC103521 [1,1,0,0,0,0|1,0,1]=4 250 B8R1.2 BrCC1CCCCC1 CS19887 [1,1,0,0,0,0|0,0,1]=3 251 B8R1.2 BrCC1CCCOC1 MC102393 [1,1,0,0,0,0|1,0,1]=4 252 B8R1.2 Br[Zn]C1CCCCC1 MC121343 [1,1,0,0,0,0|1,0,1]=4 253 B8R1.2 Br[Zn]C1CCOCC1 MC116068 [1,1,0,0,0,0|2,0,0]=4 254 B8R1.2 C#CC1CCSCC1 MC104148 [1,1,0,0,0,0|1,0,1]=4 255 B8R1.2 C=CC1CC=CCC1 MC115110 [1,1,0,0,0,0|0,0,2]=4 256 B8R1.2 CCN1CCNCC1 CS20680 [1,1,0,0,0,0|2,0,0]=4 257 B8R1.2 CNC1CCCNC1 CS22823 [1,1,0,0,0,0|1,0,1]=4 258 B8R1.2 CNC1CCOCC1 CS15192 [1,1,0,0,0,0|1,0,0]=3 259 B8R1.2 COC1CCCNC1 MC31194 [1,1,0,0,0,0|1,0,1]=4 260 B8R1.2 COC1CCCNC1 MC444290 [1,1,0,0,0,0|1,0,1]=4 261 B8R1.2 COC1CCNCC1 MC444354 [1,1,0,0,0,0|1,0,0]=3 262 B8R1.2 CON1CCNCC1 MC106159 [1,1,0,0,0,0|2,0,0]=4 263 B8R1.2 CSC1CCNCC1 MC444359 [1,1,0,0,0,0|1,0,0]=3 264 B8R1.2 Cl[Mg]C1CCOCC1 MC121322 [1,1,0,0,0,0|2,0,0]=4 265 B8R1.2 ICC1CCOCC1 MC31010 [1,1,0,0,0,0|1,0,0]=3 266 B8R1.2 N#CC1CCOCC1 CS12562 [1,1,0,0,0,0|1,0,1]=4 267 B8R1.2 NCC1CCCCC1 MC20908 [1,1,0,0,0,0|0,0,1]=3 268 B8R1.2 NCC1CCCCN1 CS22822 [1,1,0,0,0,0|1,0,1]=4 269 B8R1.2 NCC1CCCOC1 CS18439 [1,1,0,0,0,0|1,0,1]=4 270 B8R1.2 NCC1CCCOC1 MC105501 [1,1,0,0,0,0|1,0,1]=4 271 B8R1.2 NCC1CCCOC1 MC105502 [1,1,0,0,0,0|1,0,1]=4 272 B8R1.2 NCC1CCOCC1 CS18584 [1,1,0,0,0,0|1,0,0]=3 273 B8R1.2 NCC1CCSCC1 MC102976 [1,1,0,0,0,0|1,0,0]=3 274 B8R1.2 NCC1CCSCC1 MC111187 [1,1,0,0,0,0|1,0,0]=3 275 B8R1.2 NNC1CCCCC1 MC442574 [1,1,0,0,0,0|1,0,1]=4 276 B8R1.2 NNC1CCCCC1 MC442575 [1,1,0,0,0,0|1,0,1]=4 277 B8R1.2 NNC1CCOCC1 CS13041 [1,1,0,0,0,0|2,0,0]=4 278 B8R1.2 NNC1CCOCC1 CS20368 [1,1,0,0,0,0|2,0,0]=4 279 B8R1.2 O=CC1=CCCOC1 CS10171 [1,1,0,0,0,0|1,0,1]=4 280 B8R1.2 O=CC1CCCCC1 MC20143 [1,1,0,0,0,0|0,0,1]=3 281 B8R1.2 O=CC1CCCOC1 MC442323 [1,1,0,0,0,0|1,0,1]=4 282 B8R1.2 O=CC1CCOCC1 MC445812 [1,1,0,0,0,0|1,0,1]=4 283 B8R1.2 O=CN1CCOCC1 CS11780 [1,1,0,0,0,0|2,0,0]=4 284 B8R1.2 OCC1CCC=CO1 MC20505 [1,1,0,0,0,0|1,0,1]=4 285 B8R1.2 OCC1CCCCC1 MC20144 [1,1,0,0,0,0|0,0,1]=3 286 B8R1.2 OCC1CCCCN1 CS21780 [1,1,0,0,0,0|1,0,1]=4 287 B8R1.2 OCC1CCCNC1 CS15958 [1,1,0,0,0,0|1,0,1]=4 288 B8R1.2 OCC1CCCNC1 CS22817 [1,1,0,0,0,0|1,0,1]=4 289 B8R1.2 OCC1CCCOC1 MC31058 [1,1,0,0,0,0|1,0,1]=4 290 B8R1.2 OCC1CCNCC1 CS22819 [1,1,0,0,0,0|1,0,0]=3 291 B8R1.2 OCC1CCOCC1 CS18741 [1,1,0,0,0,0|1,0,0]=3 292 B8R1.4 CC1=CC(O)CCC1 MC111652 [1,1,0,0,0,0|1,0,1]=4 293 B8R1.4 CC1CC(=O)CCN1 MC101989 [1,1,0,0,0,0|1,0,0]=3 294 B8R1.4 CC1CC(=O)CCN1 MC103769 [1,1,0,0,0,0|1,0,0]=3 295 B8R1.4 CC1CC(=O)CCN1 MC444193 [1,1,0,0,0,0|1,0,0]=3 296 B8R1.4 CC1CC(=O)CCO1 MC103799 [1,1,0,0,0,0|1,0,0]=3 297 B8R1.4 CC1CC(=O)CCO1 MC103800 [1,1,0,0,0,0|1,0,0]=3 298 B8R1.4 CC1CC(=O)CCO1 MC31001 [1,1,0,0,0,0|1,0,0]=3 299 B8R1.4 CC1CC(O)CCN1 MC102122 [1,1,0,0,0,0|1,0,1]=4 300 B8R1.4 CC1CC(O)CCN1 MC102123 [1,1,0,0,0,0|1,0,1]=4 301 B8R1.4 CC1CC(O)CCN1 MC102289 [1,1,0,0,0,0|1,0,1]=4 302 B8R1.4 CC1CC(O)CCO1 MC31218 [1,1,0,0,0,0|1,0,1]=4 303 B8R1.4 CC1CCNC(C)C1 CS21125 [1,1,0,0,0,0|1,0,0]=3 304 B8R1.4 CC1CN(C)CCN1 MC102815 [1,1,0,0,0,0|2,0,0]=4 305 B8R1.4 CC1CNCC(=O)N1 MC103795 [1,1,0,0,0,0|2,0,0]=4 306 B8R1.4 CC1CNCC(=O)N1 MC104244 [1,1,0,0,0,0|2,0,0]=4 307 B8R1.4 CC1CNCC(=O)N1 MC444027 [1,1,0,0,0,0|2,0,0]=4 308 B8R1.4 CC1CNCC(C)C1 CS14191 [1,1,0,0,0,0|1,0,1]=4 309 B8R1.4 CN1CCC=C(Br)C1 MC100076 [1,1,0,0,0,0|1,0,1]=4 310 B8R1.4 CN1CCCC(N)C1 MC102357 [1,1,0,0,0,0|1,0,1]=4 311 B8R1.4 CN1CCCC(N)C1 MC444039 [1,1,0,0,0,0|1,0,1]=4 312 B8R1.4 CN1CCCC(N)C1 MC444227 [1,1,0,0,0,0|1,0,1]=4 313 B8R1.4 CN1CCCC(O)C1 MC445500 [1,1,0,0,0,0|1,0,1]=4 314 B8R1.4 CN1CCNC(=O)C1 CS13438 [1,1,0,0,0,0|2,0,0]=4 315 B8R1.4 CN1CCOC(=O)C1 CS17566 [1,1,0,0,0,0|2,0,0]=4 316 B8R1.4 NC1CCCC(N)C1 CS17066 [1,1,0,0,0,0|1,0,1]=4 317 B8R1.4 NC1CCCC(O)C1 CS17342 [1,1,0,0,0,0|0,0,2]=4 318 B8R1.4 NC1CCCC(O)C1 CS18558 [1,1,0,0,0,0|0,0,2]=4 319 B8R1.4 NC1CCCC(O)C1 MC116000 [1,1,0,0,0,0|0,0,2]=4 320 B8R1.4 NC1CCCC(O)C1 MC116001 [1,1,0,0,0,0|0,0,2]=4 321 B8R1.4 NC1CCNC(=O)C1 CS15459 [1,1,0,0,0,0|1,0,0]=3 322 B8R1.4 NC1CCNC(=O)C1 MC444313 [1,1,0,0,0,0|1,0,0]=3 323 B8R1.4 O=C1CCCC(=O)C1 CS19094 [1,1,0,0,0,0|0,0,1]=3 324 B8R1.4 O=C1CCCC(=O)O1 CS11243 [1,1,0,0,0,0|1,0,1]=4 325 B8R1.4 O=C1CCNC(=O)C1 CS18339 [1,1,0,0,0,0|1,0,1]=4 326 B8R1.5 BrC1CCCCC1Br CS20488 [1,1,0,0,0,0|1,0,1]=4 327 B8R1.5 CC1CCNCC1=O MC105562 [1,1,0,0,0,0|1,0,0]=3 328 B8R1.5 CC1CCNCC1O MC103744 [1,1,0,0,0,0|1,0,0]=3 329 B8R1.5 CC1CCNCC1O MC103745 [1,1,0,0,0,0|1,0,0]=3 330 B8R1.5 CC1CCNCC1O MC105563 [1,1,0,0,0,0|1,0,0]=3 331 B8R1.5 CC1CCNCC1O MC105564 [1,1,0,0,0,0|1,0,0]=3 332 B8R1.5 CC1CCNCC1O MC444275 [1,1,0,0,0,0|1,0,0]=3 333 B8R1.5 CC1CNCCC1=O MC106748 [1,1,0,0,0,0|1,0,0]=3 334 B8R1.5 CC1CNCCN1C MC444011 [1,1,0,0,0,0|2,0,0]=4 335 B8R1.5 CC1CNCCN1C MC444015 [1,1,0,0,0,0|2,0,0]=4 336 B8R1.5 CC1COCCC1=O MC425868 [1,1,0,0,0,0|1,0,0]=3 337 B8R1.5 CC1COCCC1N MC100869 [1,1,0,0,0,0|1,0,1]=4 338 B8R1.5 CC1COCCC1N MC104730 [1,1,0,0,0,0|1,0,1]=4 339 B8R1.5 CN1CCNCC1=O CS17040 [1,1,0,0,0,0|2,0,0]=4 340 B8R1.5 CN1CCNCC1=O CS18390 [1,1,0,0,0,0|2,0,0]=4 341 B8R1.5 FC1CCNCC1F MC105603 [1,1,0,0,0,0|2,0,0]=4 342 B8R1.5 FC1CCNCC1F MC105604 [1,1,0,0,0,0|2,0,0]=4 343 B8R1.5 NC1CCCCC1N CS11826 [1,1,0,0,0,0|1,0,1]=4 344 B8R1.5 NC1CCCCC1N CS22821 [1,1,0,0,0,0|1,0,1]=4 345 B8R1.5 NC1CCCCC1O CS12403 [1,1,0,0,0,0|0,0,2]=4 346 B8R1.5 NC1CCCCC1O CS12547 [1,1,0,0,0,0|0,0,2]=4 347 B8R1.5 NC1CCCCC1O CS12548 [1,1,0,0,0,0|0,0,2]=4 348 B8R1.5 NC1CCCCC1O CS14928 [1,1,0,0,0,0|0,0,2]=4 349 B8R1.5 NC1CCCCC1O CS18590 [1,1,0,0,0,0|0,0,2]=4 350 B8R1.5 NC1CCCCC1O MC20710 [1,1,0,0,0,0|0,0,2]=4 351 B8R1.5 NC1CCCCC1O MC20824 [1,1,0,0,0,0|0,0,2]=4 352 B8R1.5 NC1CCCNC1=O MC106744 [1,1,0,0,0,0|1,0,0]=3 353 B8R1.5 NC1CCOCC1O MC102103 [1,1,0,0,0,0|2,0,0]=4 354 B8R1.5 NC1CCOCC1O MC102104 [1,1,0,0,0,0|2,0,0]=4 355 B8R1.5 NC1CCOCC1O MC102509 [1,1,0,0,0,0|2,0,0]=4 356 B8R1.5 NC1COCCC1O MC427129 [1,1,0,0,0,0|2,0,0]=4 357 B8R1.5 O=C1CCCC=C1I MC106097 [1,1,0,0,0,0|0,0,2]=4 358 B8R1.5 O=C1CCCCC1=O CS20486 [1,1,0,0,0,0|0,0,1]=3 359 B8R1.5 O=C1CCNCC1Br MC106749 [1,1,0,0,0,0|1,0,0]=3 360 B8R1.5 O=C1NCCCC1Br CS14644 [1,1,0,0,0,0|1,0,0]=3 361 B8R1.5 O=C1NCCCC1O CS19689 [1,1,0,0,0,0|1,0,0]=3 362 B8R1.5 O=C1OCCCC1O CS16147 [1,1,0,0,0,0|1,0,0]=3 363 B8R1.5 OC1CCCCC1F MC107093 [1,1,0,0,0,0|0,0,2]=4 364 B8R1.5 OC1CCCCC1O CS12029 [1,1,0,0,0,0|0,0,2]=4 365 B8R1.5 OC1CCNCC1F MC101962 [1,1,0,0,0,0|2,0,0]=4 366 B8R1.5 OC1CCNCC1F MC103718 [1,1,0,0,0,0|2,0,0]=4 367 B8R1.5 OC1CCNCC1O MC101991 [1,1,0,0,0,0|2,0,0]=4 368 B8R1.5 OC1CCNCC1O MC111756 [1,1,0,0,0,0|2,0,0]=4 369 B8R1.5 OC1CCNCC1O MC116420 [1,1,0,0,0,0|2,0,0]=4 370 B8R1.5 OC1CNCCC1F MC101961 [1,1,0,0,0,0|2,0,0]=4 371 B8R1.72 CC1(C)CCNCC1 CS13819 [1,1,0,0,0,0|1,0,0]=3 372 B8R1.72 CC1(N)CCOCC1 CS14346 [1,1,0,0,0,0|1,0,0]=3 373 B8R1.72 CC1(N)CCOCC1 MC106879 [1,1,0,0,0,0|1,0,0]=3 374 B8R1.72 CC1(O)CCCNC1 MC444294 [1,1,0,0,0,0|1,0,1]=4 375 B8R1.72 CC1(O)CCNCC1 MC443374 [1,1,0,0,0,0|1,0,0]=3 376 B8R1.72 CC1(O)CCOCC1 CS12641 [1,1,0,0,0,0|1,0,0]=3 377 B8R1.72 FC1(F)CCNCC1 CS18259 [1,1,0,0,0,0|2,0,0]=4 378 B8R1.72 O=S1(=O)CCCCN1 MC428209 [1,1,0,0,0,0|2,0,0]=4 379 B8R1.72 O=S1(=O)CCNCC1 CS16686 [1,1,0,0,0,0|2,0,0]=4 380 B8R1.72 OC1(O)CCNCC1 CS10106 [1,1,0,0,0,0|2,0,0]=4 381 B8R1.1 CN1CCC(CN)C1 MC104144 [0,1,0,0,1,0|2,0,0]=4 382 B8R1.1 CN1CCC(CN)C1 MC105308 [0,1,0,0,1,0|2,0,0]=4 383 B8R1.1 CN1CCC(CO)C1 MC102370 [0,1,0,0,1,0|2,0,0]=4 384 B8R1.1 CN1CCC(CO)C1 MC102371 [0,1,0,0,1,0|2,0,0]=4 385 B8R1.1 NCC1CNC(=O)C1 MC101927 [0,1,0,0,1,0|1,0,0]=3 386 B8R1.1 NCC1CNC(=O)C1 MC105678 [0,1,0,0,1,0|1,0,0]=3 387 B8R1.1 NCC1CNC(=O)C1 MC121239 [0,1,0,0,1,0|1,0,0]=3 388 B8R1.1 NCC1CNC(=O)O1 MC103408 [0,1,0,0,1,0|2,0,0]=4 389 B8R1.1 NCC1COC(=O)N1 MC104254 [0,1,0,0,1,0|2,0,0]=4 390 B8R1.1 O=C1CC(CF)CO1 MC10217 [0,1,0,0,1,0|1,0,0]=3 391 B8R1.1 O=C1CCC(CO)N1 CS13834 [0,1,0,0,1,0|1,0,0]=3 392 B8R1.1 O=C1CCC(CO)N1 CS15562 [0,1,0,0,1,0|1,0,0]=3 393 B8R1.1 O=C1NC(CO)CO1 MC427148 [0,1,0,0,1,0|2,0,0]=4 394 B8R1.18 CC1CC(=O)OC1=O MC440511 [0,1,0,0,1,0|1,0,1]=4 395 B8R1.18 CN1CC(N)CC1=O MC104828 [0,1,0,0,1,0|2,0,0]=4 396 B8R1.18 CN1CC(O)CC1=O MC111393 [0,1,0,0,1,0|2,0,0]=4 397 B8R1.50 CC1=C(O)C(=O)CC1 CS16508 [0,1,0,0,1,0|0,0,2]=4 398 B8R1.50 CC1C(=O)CCC1=O CS21655 [0,1,0,0,1,0|1,0,1]=4 399 B8R1.50 O=C1OCC(O)C1Br MC113108 [0,1,0,0,1,0|2,0,0]=4 400 B8R1.51 CC1(C)CNC(=O)C1 CS22480 [0,1,0,0,1,0|1,0,0]=3 401 B8R1.51 CC1(C)CNC(=O)N1 MC443125 [0,1,0,0,1,0|2,0,0]=4 402 B8R1.51 CC1(O)CCC(N)C1 MC104923 [0,1,0,0,1,0|1,0,1]=4 403 B8R1.51 NC1CCS(=O)(=O)C1 CS22113 [0,1,0,0,1,0|2,0,0]=4 404 B8R1.51 O=C1CCS(=O)(=O)C1 CS20460 [0,1,0,0,1,0|2,0,0]=4 405 B8R1.51 O=S1(=O)CCC(O)C1 MC107294 [0,1,0,0,1,0|2,0,0]=4 406 B10R1.1 CCCC1CCC(=O)OC1 MC440473 [0,2,0,0,0,0|1,0,0]=3 407 B10R1.1 CN1CCC(=CC#N)CC1 MC429699 [0,2,0,0,0,0|2,0,0]=4 408 B10R1.1 CN1CCC(CC#N)CC1 MC429697 [0,2,0,0,0,0|2,0,0]=4 409 B10R1.1 CN1CCC(CC=O)CC1 MC431131 [0,2,0,0,0,0|1,0,1]=4 410 B10R1.1 CN1CCN(CC=O)CC1 MC104423 [0,2,0,0,0,0|2,0,0]=4 411 B10R1.1 COCC1CCC(N)CC1 MC103330 [0,2,0,0,0,0|1,0,1]=4 412 B10R1.1 CSCC1CCC(N)CC1 MC112053 [0,2,0,0,0,0|1,0,1]=4 413 B10R1.1 N#CCC1CCC(N)CC1 MC106227 [0,2,0,0,0,0|1,0,1]=4 414 B10R1.1 NCCN1CCC(=O)CC1 MC111194 [0,2,0,0,0,0|1,0,0]=3 415 B10R1.3 CCN1CCC(CO)CC1 CS14786 [0,2,0,0,0,0|2,0,0]=4 416 B10R1.3 CNC1CCC(CO)CC1 MC103327 [0,2,0,0,0,0|0,0,2]=4 417 B10R1.3 OCC1CCC(CO)CC1 CS20552 [0,2,0,0,0,0|0,0,2]=4 418 B10R1.13 CC(=O)C1CC=C(C)CC1 CS14813 [0,2,0,0,0,0|1,0,1]=4 419 B10R1.13 CC(=O)N1CCC(N)CC1 CS13776 [0,2,0,0,0,0|2,0,0]=4 420 B10R1.13 CC(=O)N1CCC(N)CC1 CS20412 [0,2,0,0,0,0|2,0,0]=4 421 B10R1.13 CC1CCC(C(C)C)CC1 MC428284 [0,2,0,0,0,0|1,0,1]=4 422 B10R1.13 CC1CCC(C(N)=O)CN1 MC425228 [0,2,0,0,0,0|1,0,1]=4 423 B10R1.13 CN(C)C1CCC(=O)CC1 MC429047 [0,2,0,0,0,0|0,0,0]=2 424 B10R1.13 CN(C)C1CCC(N)CC1 MC103148 [0,2,0,0,0,0|1,0,1]=4 425 B10R1.13 CN(C)C1CCC(O)CC1 CS18395 [0,2,0,0,0,0|0,0,2]=4 426 B10R1.13 NC1CCC(C(=O)O)CC1 CS12037 [0,2,0,0,0,0|1,0,1]=4 427 B10R1.13 NC1CCC(C(=O)O)CC1 CS14216 [0,2,0,0,0,0|1,0,1]=4 428 B10R1.13 NC1CCC(C(=O)O)CC1 CS14217 [0,2,0,0,0,0|1,0,1]=4 429 B10R1.13 O=C(O)C1CCC(O)CC1 MC428316 [0,2,0,0,0,0|1,0,1]=4 430 B10R1.13 O=C1CCC(C(=O)O)CC1 MC425116 [0,2,0,0,0,0|0,0,1]=3 431 B10R1.13 O=C1CCC(C(=O)O)CN1 MC444434 [0,2,0,0,0,0|1,0,1]=4 432 B10R1.26 FC1(F)CCC(CBr)CC1 MC430090 [0,2,0,0,0,0|1,0,1]=4 433 B10R1.26 NCC1CCS(=O)(=O)CC1 MC121087 [0,2,0,0,0,0|1,0,0]=3 434 B10R1.26 O=CC1CCC(F)(F)CC1 CS11181 [0,2,0,0,0,0|1,0,1]=4 435 B10R1.26 OCC1CCC(F)(F)CC1 MC432514 [0,2,0,0,0,0|1,0,1]=4 436 B10R1.30 CCN1CC(C)NCC1=O MC31018 [0,2,0,0,0,0|2,0,0]=4 437 B10R1.30 CCN1CC(C)NCC1=O MC31210 [0,2,0,0,0,0|2,0,0]=4 438 B10R1.120 CC1(C)CC(=O)CCC1O MC110760 [0,2,0,0,0,0|1,0,0]=3 439 B10R1.120 CC1(C)CC(O)CCC1=O MC110923 [0,2,0,0,0,0|1,0,0]=3 440 B10R1.120 O=C1NCC(O)CC1(F)F MC102278 [0,2,0,0,0,0|2,0,0]=4 441 B8R1.22 O=C1CCCNCC1 CS19096 [0,0,1,1,0,0|1,0,0]=3 442 B8R1.22 O=C1CCNCCN1 CS18857 [0,0,1,1,0,0|2,0,0]=4 443 B8R1.22 O=C1CCSCCN1 MC121122 [0,0,1,1,0,0|2,0,0]=4 444 B8R1.22 O=S1CCCNCC1 MC100495 [0,0,1,1,0,0|2,0,0]=4 445 B8R1.38 COC(=O)C1CNC1 CS13402 [0,0,1,1,0,0|2,0,0]=4 446 B8R1.38 COC(=O)C1COC1 MC100370 [0,0,1,1,0,0|2,0,0]=4 447 B8R1.83 COC(=O)C1CC1Br MC430638 [0,0,1,1,0,0|2,0,0]=4 448 B8R1.23 CC1CC(C(=O)O)C1 CS15188 [0,0,1,1,0,0|1,0,0]=3 449 B8R1.23 CC1CC(C(=O)O)C1 MC101958 [0,0,1,1,0,0|1,0,0]=3 450 B8R1.23 CC1CC(C(=O)O)C1 MC101959 [0,0,1,1,0,0|1,0,0]=3 451 B8R1.23 CN1CC(C(=O)O)C1 MC444119 [0,0,1,1,0,0|2,0,0]=4 452 B8R1.23 NC1CC(C(=O)O)C1 CS15871 [0,0,1,1,0,0|2,0,0]=4 453 B8R1.23 NC1CC(C(=O)O)C1 CS18457 [0,0,1,1,0,0|2,0,0]=4 454 B8R1.23 NC1CC(C(=O)O)C1 MC100079 [0,0,1,1,0,0|2,0,0]=4 455 B8R1.23 NC1CC(C(=O)O)C1 MC10550 [0,0,1,1,0,0|2,0,0]=4 456 B8R1.23 NC1CC(C(=O)O)C1 MC444597 [0,0,1,1,0,0|2,0,0]=4 457 B8R1.23 O=C(O)C1CC(Cl)C1 MC444263 [0,0,1,1,0,0|2,0,0]=4 458 B8R1.23 O=C(O)C1CC(F)C1 MC121085 [0,0,1,1,0,0|2,0,0]=4 459 B8R1.23 O=C(O)C1CC(O)C1 CS13147 [0,0,1,1,0,0|2,0,0]=4 460 B8R1.23 O=C(O)C1CC(O)C1 MC102155 [0,0,1,1,0,0|2,0,0]=4 461 B8R1.23 O=C(O)C1CC(O)C1 MC104924 [0,0,1,1,0,0|2,0,0]=4 462 B8R1.35 O=C(O)CCC1CC1 CS19562 [0,0,1,1,0,0|1,0,0]=3 463 B8R1.77 CC1(C)CC1C(=O)O CS19841 [0,0,1,1,0,0|1,0,0]=3 464 B8R1.77 CC1(C)CC1C(N)=O MC427500 [0,0,1,1,0,0|1,0,0]=3 465 B8R2.11 C12CNCC1C2O MC102023 [1,0,0,1,0,0|2,0,0]=4 466 B8R2.18 NC1CC2CC2C1 MC103540 [1,0,0,1,0,0|1,0,1]=4 467 B8R2.23 C1NCC2CC1C2 MC115688 [1,0,0,1,0,0|1,0,1]=4 468 B8R2.25 C1CC2CC2CN1 MC105241 [1,0,0,1,0,0|1,0,0]=3 469 B8R2.25 C1CC2OC2CO1 MC427300 [1,0,0,1,0,0|2,0,0]=4 470 B8R2.25 C1CCC2OC2C1 MC41785 [1,0,0,1,0,0|0,0,2]=4 471 B8R2.34 C1CC2CCC1N2 CS10780 [1,0,0,1,0,0|1,0,1]=4 472 B8R2.34 C1CC2CCC1N2 MC113036 [1,0,0,1,0,0|1,0,1]=4 473 B10R2.178 O=C1CCC2CCC1N2 MC105539 [0,0,0,1,0,1|1,0,0]=3 474 B10R2.178 O=C1NCC2CCC1N2 MC105362 [0,0,0,1,0,1|2,0,0]=4 475 B10R2.409 C1CN2CCC(CC2)N1 MC429044 [0,0,0,1,0,1|2,0,0]=4 476 B10R2.31 CN1CCC2CNC2C1 MC104224 [0,1,0,1,0,0|2,0,0]=4 477 B10R2.62 NC1CN2CCC1CC2 CS19630 [0,1,0,1,0,0|2,0,0]=4 478 B10R2.62 NC1CN2CCC1CC2 CS20563 [0,1,0,1,0,0|2,0,0]=4 479 B10R2.62 NC1CN2CCC1CC2 MC114997 [0,1,0,1,0,0|2,0,0]=4 480 B10R2.62 NC1CN2CCC1CC2 MC428250 [0,1,0,1,0,0|2,0,0]=4 481 B10R2.62 O=C1CN2CCC1CC2 CS19608 [0,1,0,1,0,0|1,0,1]=4 482 B10R2.62 O=C1NC2CCC1CC2 MC444164 [0,1,0,1,0,0|1,0,1]=4 483 B10R2.62 OC1CC2CCC1CC2 MC105832 [0,1,0,1,0,0|0,0,2]=4 484 B10R2.62 OC1CC2CCC1NC2 MC101978 [0,1,0,1,0,0|1,0,1]=4 485 B10R2.62 OC1CN2CCC1CC2 CS14329 [0,1,0,1,0,0|2,0,0]=4 486 B6R0.2 CC(Br)CC(=O)O MC106689 [0,0,1,0,1,0|2,0,0]=4 487 B6R0.2 CC(N)CC(=O)O CS19028 [0,0,1,0,1,0|2,0,0]=4 488 B6R0.2 CC(N)CC(=O)O CS20346 [0,0,1,0,1,0|2,0,0]=4 489 B6R0.2 CC(N)CC(=O)O MC439098 [0,0,1,0,1,0|2,0,0]=4 490 B6R0.2 CC(O)CC(=O)O MC426020 [0,0,1,0,1,0|2,0,0]=4 491 B6R0.2 CC(O)CC(=O)O MC426021 [0,0,1,0,1,0|2,0,0]=4 492 B6R0.2 CC(O)CC(=O)[O-] CS20253 [0,0,1,0,1,0|2,0,0]=4 493 B6R0.2 CN(C)CC(=O)O CS13413 [0,0,1,0,1,0|2,0,0]=4 494 B6R1.2 BrC1CCNC1 CS15742 [1,0,0,0,1,0|2,0,0]=4 495 B6R1.2 BrC1CCOC1 CS14643 [1,0,0,0,1,0|2,0,0]=4 496 B6R1.2 CC1=NCCC1 CS21664 [1,0,0,0,1,0|1,0,1]=4 497 B6R1.2 CC1CCCN1 CS18299 [1,0,0,0,1,0|1,0,0]=3 498 B6R1.2 CC1CCCN1 CS18800 [1,0,0,0,1,0|1,0,0]=3 499 B6R1.2 CC1CCCN1 CS19735 [1,0,0,0,1,0|1,0,0]=3 500 B6R1.2 CC1CCCN1 CS21699 [1,0,0,0,1,0|1,0,0]=3 501 B6R1.2 CC1CCCN1 CS21700 [1,0,0,0,1,0|1,0,0]=3 502 B6R1.2 CC1CCCN1 MC428345 [1,0,0,0,1,0|1,0,0]=3 503 B6R1.2 CC1CCCO1 MC20580 [1,0,0,0,1,0|1,0,0]=3 504 B6R1.2 FC1CCNC1 CS12894 [1,0,0,0,1,0|2,0,0]=4 505 B6R1.2 FC1CCNC1 CS14870 [1,0,0,0,1,0|2,0,0]=4 506 B6R1.2 FC1CCNC1 MC31003 [1,0,0,0,1,0|2,0,0]=4 507 B6R1.2 IC1CCOC1 MC101926 [1,0,0,0,1,0|2,0,0]=4 508 B6R1.2 NC1=NCCC1 CS19310 [1,0,0,0,1,0|2,0,0]=4 509 B6R1.2 NC1CC=CC1 CS19415 [1,0,0,0,1,0|1,0,1]=4 510 B6R1.2 NC1CCOC1 CS12010 [1,0,0,0,1,0|2,0,0]=4 511 B6R1.2 NC1CCOC1 CS13003 [1,0,0,0,1,0|2,0,0]=4 512 B6R1.2 NC1CCOC1 CS20366 [1,0,0,0,1,0|2,0,0]=4 513 B6R1.2 NC1CCOC1 MC443324 [1,0,0,0,1,0|2,0,0]=4 514 B6R1.2 NC1CCOC1 MC444237 [1,0,0,0,1,0|2,0,0]=4 515 B6R1.2 O=C1CCCC1 MC21085 [1,0,0,0,1,0|0,0,0]=2 516 B6R1.2 O=C1CCNC1 CS22412 [1,0,0,0,1,0|1,0,0]=3 517 B6R1.2 O=C1CCOC1 CS18178 [1,0,0,0,1,0|1,0,0]=3 518 B6R1.2 O=C1CCSC1 MC20305 [1,0,0,0,1,0|1,0,0]=3 519 B6R1.2 O=C1CNCN1 CS15654 [1,0,0,0,1,0|2,0,0]=4 520 B6R1.2 O=C1NCCN1 CS21607 [1,0,0,0,1,0|2,0,0]=4 521 B6R1.2 O=C1NCCS1 CS20525 [1,0,0,0,1,0|2,0,0]=4 522 B6R1.2 O=C1OCCO1 CS20012 [1,0,0,0,1,0|2,0,0]=4 523 B6R1.2 OC1CC=CC1 MC10342 [1,0,0,0,1,0|1,0,1]=4 524 B6R1.2 OC1CCNC1 CS16166 [1,0,0,0,1,0|2,0,0]=4 525 B6R1.2 OC1CCNC1 CS16635 [1,0,0,0,1,0|2,0,0]=4 526 B6R1.2 OC1CCNC1 CS16650 [1,0,0,0,1,0|2,0,0]=4 527 B6R1.2 OC1CCNC1 CS17407 [1,0,0,0,1,0|2,0,0]=4 528 B6R1.2 OC1CCNC1 CS21757 [1,0,0,0,1,0|2,0,0]=4 529 B6R1.2 OC1CCOC1 CS20284 [1,0,0,0,1,0|2,0,0]=4 530 B6R1.2 OC1CCOC1 MC42235 [1,0,0,0,1,0|2,0,0]=4 531 B6R1.2 OC1CCOC1 MC444279 [1,0,0,0,1,0|2,0,0]=4 532 B6R1.4 CC1COC1=O MC121237 [0,0,0,0,2,0|1,0,0]=3 533 B6R1.5 CC1CC(N)C1 MC105778 [0,0,0,0,2,0|1,0,1]=4 534 B6R1.5 NC1CC(=O)C1 MC444232 [0,0,0,0,2,0|1,0,0]=3 535 B6R1.5 O=C1CC(F)C1 MC104154 [0,0,0,0,2,0|1,0,0]=3 536 B8R0.28 CC(C)CCCC(C)N MC446672 [0,0,1,0,0,1|1,0,1]=4 537 B8R0.28 CN(C)CCCC(=O)O CS18615 [0,0,1,0,0,1|2,0,0]=4 538 B10R1.79 O=C1CCCC(=O)CCC1 MC102212 [0,0,0,0,0,2|1,0,1]=4