0 B7R1.3 BrC1CCCCC1 CS11079 [0,0,0,0,0,0|1,0,1]=2 1 B7R1.3 BrC1CCNCC1 CS18356 [0,0,0,0,0,0|2,0,1]=3 2 B7R1.3 BrC1CCOCC1 CS18193 [0,0,0,0,0,0|2,0,1]=3 3 B7R1.3 CC1CCCCN1 MC20418 [0,0,0,0,0,0|2,0,1]=3 4 B7R1.3 CC1CCCNC1 CS16133 [0,0,0,0,0,0|2,0,1]=3 5 B7R1.3 CC1CCCNC1 MC425227 [0,0,0,0,0,0|2,0,1]=3 6 B7R1.3 CC1CNCCN1 CS13503 [0,0,0,0,0,0|3,0,1]=4 7 B7R1.3 CC1CNCCN1 CS17164 [0,0,0,0,0,0|3,0,1]=4 8 B7R1.3 CC1CNCCN1 CS17167 [0,0,0,0,0,0|3,0,1]=4 9 B7R1.3 CC1CNCCO1 CS14515 [0,0,0,0,0,0|3,0,1]=4 10 B7R1.3 CC1CNCCO1 CS14521 [0,0,0,0,0,0|3,0,1]=4 11 B7R1.3 CC1CNCCO1 CS19299 [0,0,0,0,0,0|3,0,1]=4 12 B7R1.3 CC1CNCCO1 CS21692 [0,0,0,0,0,0|3,0,1]=4 13 B7R1.3 CC1CNCCO1 MC444038 [0,0,0,0,0,0|3,0,1]=4 14 B7R1.3 CC1CNCCO1 MC444192 [0,0,0,0,0,0|3,0,1]=4 15 B7R1.3 CC1COCCN1 CS14856 [0,0,0,0,0,0|3,0,1]=4 16 B7R1.3 CC1COCCN1 CS20285 [0,0,0,0,0,0|3,0,1]=4 17 B7R1.3 CC1COCCN1 CS22371 [0,0,0,0,0,0|3,0,1]=4 18 B7R1.3 CC1COCCN1 CS22413 [0,0,0,0,0,0|3,0,1]=4 19 B7R1.3 CC1COCCN1 MC20820 [0,0,0,0,0,0|3,0,1]=4 20 B7R1.3 CN1CC=CCC1 CS20742 [0,0,0,0,0,0|2,0,2]=4 21 B7R1.3 CN1CCNCC1 MC20458 [0,0,0,0,0,0|3,0,0]=3 22 B7R1.3 ClC1CCNCC1 CS16938 [0,0,0,0,0,0|2,0,1]=3 23 B7R1.3 FC1CCCNC1 MC101908 [0,0,0,0,0,0|2,0,1]=3 24 B7R1.3 FC1CCCNC1 MC101918 [0,0,0,0,0,0|2,0,1]=3 25 B7R1.3 FC1CCCNC1 MC444270 [0,0,0,0,0,0|2,0,1]=3 26 B7R1.3 FC1CCNCC1 CS22845 [0,0,0,0,0,0|2,0,1]=3 27 B7R1.3 IC1CCOCC1 CS18194 [0,0,0,0,0,0|2,0,1]=3 28 B7R1.3 NC1CCCNC1 CS17178 [0,0,0,0,0,0|2,0,1]=3 29 B7R1.3 NC1CCCNC1 CS17182 [0,0,0,0,0,0|2,0,1]=3 30 B7R1.3 NC1CCCNC1 CS22655 [0,0,0,0,0,0|2,0,1]=3 31 B7R1.3 NC1CCOCC1 CS16997 [0,0,0,0,0,0|2,0,1]=3 32 B7R1.3 NC1CCOCC1 CS18985 [0,0,0,0,0,0|2,0,1]=3 33 B7R1.3 O=C1C=CCCC1 MC41883 [0,0,0,0,0,0|0,0,2]=2 34 B7R1.3 O=C1C=CCCN1 CS15771 [0,0,0,0,0,0|1,0,2]=3 35 B7R1.3 O=C1C=CCOC1 CS17023 [0,0,0,0,0,0|1,0,2]=3 36 B7R1.3 O=C1CCCCN1 MC429045 [0,0,0,0,0,0|1,0,0]=1 37 B7R1.3 O=C1CCCCO1 CS11208 [0,0,0,0,0,0|1,0,0]=1 38 B7R1.3 O=C1CCCNC1 CS14768 [0,0,0,0,0,0|1,0,0]=1 39 B7R1.3 O=C1CCCNC1 CS17767 [0,0,0,0,0,0|1,0,0]=1 40 B7R1.3 O=C1CCCOC1 MC31097 [0,0,0,0,0,0|1,0,0]=1 41 B7R1.3 O=C1CCNCC1 CS22790 [0,0,0,0,0,0|1,0,0]=1 42 B7R1.3 O=C1CCOCC1 CS13380 [0,0,0,0,0,0|1,0,0]=1 43 B7R1.3 O=C1CCSCC1 CS18797 [0,0,0,0,0,0|1,0,0]=1 44 B7R1.3 O=C1CNCCN1 CS19142 [0,0,0,0,0,0|2,0,0]=2 45 B7R1.3 O=C1CNCCO1 MC441004 [0,0,0,0,0,0|2,0,0]=2 46 B7R1.3 O=C1COCCN1 CS11697 [0,0,0,0,0,0|2,0,0]=2 47 B7R1.3 O=C1COCCO1 MC20725 [0,0,0,0,0,0|2,0,0]=2 48 B7R1.3 OC1CCCNC1 CS17016 [0,0,0,0,0,0|1,0,2]=3 49 B7R1.3 OC1CCCNC1 CS17020 [0,0,0,0,0,0|1,0,2]=3 50 B7R1.3 OC1CCCNC1 CS22642 [0,0,0,0,0,0|1,0,2]=3 51 B7R1.3 OC1CCCOC1 CS17782 [0,0,0,0,0,0|1,0,2]=3 52 B7R1.3 OC1CCNCC1 CS14900 [0,0,0,0,0,0|1,0,2]=3 53 B7R1.3 OC1CCNCC1 CS22643 [0,0,0,0,0,0|1,0,2]=3 54 B7R1.3 OC1CCOCC1 CS13929 [0,0,0,0,0,0|1,0,2]=3 55 B7R1.3 OC1CCSCC1 CS12012 [0,0,0,0,0,0|1,0,2]=3 56 B7R1.3 SC1CCCNC1 MC105166 [0,0,0,0,0,0|1,1,1]=3 57 B7R1.3 SC1CCOCC1 MC107026 [0,0,0,0,0,0|1,1,1]=3 58 B6R1.1 C1=CCNCC1 MC444071 [1,0,0,0,0,0|1,0,1]=3 59 B6R1.1 C1=CCOCC1 MC427315 [1,0,0,0,0,0|1,0,1]=3 60 B6R1.1 C1=CCSCC1 MC427366 [1,0,0,0,0,0|1,0,1]=3 61 B6R1.1 C1=COCCC1 MC20500 [1,0,0,0,0,0|1,0,1]=3 62 B6R1.1 C1CCCCC1 MC41853 [1,0,0,0,0,0|0,0,1]=2 63 B6R1.1 C1CCNNC1 CS17893 [1,0,0,0,0,0|2,0,0]=3 64 B6R1.1 C1CC[NH2+]CC1 CS16333 [1,0,0,0,0,0|1,0,0]=2 65 B6R1.1 C1CNCCN1 MC41703 [1,0,0,0,0,0|2,0,0]=3 66 B6R1.1 C1COCCN1 MC20726 [1,0,0,0,0,0|2,0,0]=3 67 B6R1.1 C1CSCCN1 MC20759 [1,0,0,0,0,0|2,0,0]=3 68 B8R1.2 BrCC1=CCCCC1 MC103521 [0,1,0,0,0,0|1,0,1]=3 69 B8R1.2 BrCC1CCCCC1 CS19887 [0,1,0,0,0,0|1,0,1]=3 70 B8R1.2 BrCC1CCCOC1 MC102393 [0,1,0,0,0,0|2,0,1]=4 71 B8R1.2 Br[Zn]C1CCCCC1 MC121343 [0,1,0,0,0,0|1,0,1]=3 72 B8R1.2 Br[Zn]C1CCOCC1 MC116068 [0,1,0,0,0,0|2,0,1]=4 73 B8R1.2 C#CC1CCCOC1 MC104582 [0,1,0,0,0,0|2,0,1]=4 74 B8R1.2 C#CC1CCSCC1 MC104148 [0,1,0,0,0,0|2,0,1]=4 75 B8R1.2 CCN1CCNCC1 CS20680 [0,1,0,0,0,0|3,0,0]=4 76 B8R1.2 CNC1CCCNC1 CS22823 [0,1,0,0,0,0|2,0,1]=4 77 B8R1.2 CNC1CCOCC1 CS15192 [0,1,0,0,0,0|2,0,1]=4 78 B8R1.2 COC1CCCNC1 MC31194 [0,1,0,0,0,0|1,0,2]=4 79 B8R1.2 COC1CCCNC1 MC444290 [0,1,0,0,0,0|1,0,2]=4 80 B8R1.2 COC1CCNCC1 MC444354 [0,1,0,0,0,0|1,0,2]=4 81 B8R1.2 CON1CCNCC1 MC106159 [0,1,0,0,0,0|2,0,1]=4 82 B8R1.2 CSC1CCNCC1 MC444359 [0,1,0,0,0,0|1,1,1]=4 83 B8R1.2 Cl[Mg]C1CCOCC1 MC121322 [0,1,0,0,0,0|2,0,1]=4 84 B8R1.2 ICC1CCOCC1 MC31010 [0,1,0,0,0,0|2,0,1]=4 85 B8R1.2 N#CC1CCCCN1 MC105353 [0,1,0,0,0,0|2,0,1]=4 86 B8R1.2 N#CC1CCCCN1 MC444185 [0,1,0,0,0,0|2,0,1]=4 87 B8R1.2 N#CC1CCCNC1 MC105598 [0,1,0,0,0,0|2,0,1]=4 88 B8R1.2 N#CC1CCCNC1 MC444266 [0,1,0,0,0,0|2,0,1]=4 89 B8R1.2 N#CC1CCOCC1 CS12562 [0,1,0,0,0,0|2,0,1]=4 90 B8R1.2 NCC1CCCCC1 MC20908 [0,1,0,0,0,0|1,0,1]=3 91 B8R1.2 NCC1CCCCN1 CS22822 [0,1,0,0,0,0|2,0,1]=4 92 B8R1.2 NCC1CCCOC1 CS18439 [0,1,0,0,0,0|2,0,1]=4 93 B8R1.2 NCC1CCCOC1 MC105501 [0,1,0,0,0,0|2,0,1]=4 94 B8R1.2 NCC1CCCOC1 MC105502 [0,1,0,0,0,0|2,0,1]=4 95 B8R1.2 NCC1CCOCC1 CS18584 [0,1,0,0,0,0|2,0,1]=4 96 B8R1.2 NCC1CCSCC1 MC102976 [0,1,0,0,0,0|2,0,1]=4 97 B8R1.2 NCC1CCSCC1 MC111187 [0,1,0,0,0,0|2,0,1]=4 98 B8R1.2 NNC1CCCCC1 MC442574 [0,1,0,0,0,0|1,0,1]=3 99 B8R1.2 NNC1CCCCC1 MC442575 [0,1,0,0,0,0|1,0,1]=3 100 B8R1.2 NNC1CCOCC1 CS13041 [0,1,0,0,0,0|2,0,1]=4 101 B8R1.2 NNC1CCOCC1 CS20368 [0,1,0,0,0,0|2,0,1]=4 102 B8R1.2 NOC1CCCCO1 CS17026 [0,1,0,0,0,0|1,0,2]=4 103 B8R1.2 O=CC1=CCCOC1 CS10171 [0,1,0,0,0,0|1,0,1]=3 104 B8R1.2 O=CC1CCCCC1 MC20143 [0,1,0,0,0,0|0,0,1]=2 105 B8R1.2 O=CC1CCCOC1 MC442323 [0,1,0,0,0,0|1,0,1]=3 106 B8R1.2 O=CC1CCOCC1 MC445812 [0,1,0,0,0,0|1,0,1]=3 107 B8R1.2 O=CN1CCOCC1 CS11780 [0,1,0,0,0,0|2,0,0]=3 108 B8R1.2 OCC1CCCCC1 MC20144 [0,1,0,0,0,0|0,0,2]=3 109 B8R1.2 OCC1CCCCN1 CS21780 [0,1,0,0,0,0|1,0,2]=4 110 B8R1.2 OCC1CCCNC1 CS15958 [0,1,0,0,0,0|1,0,2]=4 111 B8R1.2 OCC1CCCNC1 CS22817 [0,1,0,0,0,0|1,0,2]=4 112 B8R1.2 OCC1CCCOC1 MC31058 [0,1,0,0,0,0|1,0,2]=4 113 B8R1.2 OCC1CCNCC1 CS22819 [0,1,0,0,0,0|1,0,2]=4 114 B8R1.2 OCC1CCOCC1 CS18741 [0,1,0,0,0,0|1,0,2]=4 115 B8R1.3 C=C1CCC(=O)CC1 MC106742 [0,1,0,0,0,0|0,0,1]=2 116 B8R1.3 C=C1CCC(C)CC1 MC105701 [0,1,0,0,0,0|1,0,0]=2 117 B8R1.3 CN1CC=C(Br)CC1 MC425142 [0,1,0,0,0,0|2,0,1]=4 118 B8R1.3 CN1CCC(=O)CC1 CS18410 [0,1,0,0,0,0|1,0,0]=2 119 B8R1.3 CN1CCC(Cl)CC1 CS18485 [0,1,0,0,0,0|2,0,0]=3 120 B8R1.3 CN1CCC(N)CC1 CS18628 [0,1,0,0,0,0|2,0,0]=3 121 B8R1.3 CN1CCC(O)CC1 CS13491 [0,1,0,0,0,0|2,0,0]=3 122 B8R1.3 NC1CCC(=O)CC1 CS22583 [0,1,0,0,0,0|0,0,0]=1 123 B8R1.3 NC1CCC(=O)NC1 MC113024 [0,1,0,0,0,0|1,0,0]=2 124 B8R1.3 NC1CCC(=O)NC1 MC444382 [0,1,0,0,0,0|1,0,0]=2 125 B8R1.3 NC1CCC(N)CC1 CS18629 [0,1,0,0,0,0|1,0,1]=3 126 B8R1.3 NC1CCC(N)CC1 MC20732 [0,1,0,0,0,0|1,0,1]=3 127 B8R1.3 NC1CCC(O)CC1 CS12038 [0,1,0,0,0,0|0,0,2]=3 128 B8R1.3 NC1CCC(O)CC1 CS15381 [0,1,0,0,0,0|0,0,2]=3 129 B8R1.3 NC1CCC(O)CC1 CS18581 [0,1,0,0,0,0|0,0,2]=3 130 B8R1.3 NC1CCC(O)CC1 CS18592 [0,1,0,0,0,0|0,0,2]=3 131 B8R1.3 O=C1CCC(=O)CC1 CS19236 [0,1,0,0,0,0|0,0,1]=2 132 B8R1.3 O=C1CCC(=O)NC1 CS21155 [0,1,0,0,0,0|1,0,1]=3 133 B8R1.3 O=C1CCC(O)CC1 CS22889 [0,1,0,0,0,0|0,0,0]=1 134 B8R1.3 OC1CCC(O)CC1 CS20531 [0,1,0,0,0,0|0,0,2]=3 135 B8R1.3 OC1CCC(O)CC1 MC103601 [0,1,0,0,0,0|0,0,2]=3 136 B8R1.4 CC1=CC(O)CCC1 MC111652 [0,1,0,0,0,0|1,0,1]=3 137 B8R1.4 CC1CC(=O)CCN1 MC101989 [0,1,0,0,0,0|1,0,0]=2 138 B8R1.4 CC1CC(=O)CCN1 MC103769 [0,1,0,0,0,0|1,0,0]=2 139 B8R1.4 CC1CC(=O)CCN1 MC444193 [0,1,0,0,0,0|1,0,0]=2 140 B8R1.4 CC1CC(=O)CCO1 MC103799 [0,1,0,0,0,0|1,0,0]=2 141 B8R1.4 CC1CC(=O)CCO1 MC103800 [0,1,0,0,0,0|1,0,0]=2 142 B8R1.4 CC1CC(=O)CCO1 MC31001 [0,1,0,0,0,0|1,0,0]=2 143 B8R1.4 CC1CC(O)CCN1 MC102122 [0,1,0,0,0,0|1,0,2]=4 144 B8R1.4 CC1CC(O)CCN1 MC102123 [0,1,0,0,0,0|1,0,2]=4 145 B8R1.4 CC1CC(O)CCN1 MC102289 [0,1,0,0,0,0|1,0,2]=4 146 B8R1.4 CC1CC(O)CCO1 MC31218 [0,1,0,0,0,0|1,0,2]=4 147 B8R1.4 CC1CCNC(C)C1 CS21125 [0,1,0,0,0,0|2,0,1]=4 148 B8R1.4 CC1CN(C)CCN1 MC102815 [0,1,0,0,0,0|3,0,0]=4 149 B8R1.4 CC1CNCC(=O)N1 MC103795 [0,1,0,0,0,0|2,0,0]=3 150 B8R1.4 CC1CNCC(=O)N1 MC104244 [0,1,0,0,0,0|2,0,0]=3 151 B8R1.4 CC1CNCC(=O)N1 MC444027 [0,1,0,0,0,0|2,0,0]=3 152 B8R1.4 CC1CNCC(C)C1 CS14191 [0,1,0,0,0,0|2,0,1]=4 153 B8R1.4 CN1CCC=C(Br)C1 MC100076 [0,1,0,0,0,0|2,0,1]=4 154 B8R1.4 CN1CCCC(N)C1 MC102357 [0,1,0,0,0,0|2,0,0]=3 155 B8R1.4 CN1CCCC(N)C1 MC444039 [0,1,0,0,0,0|2,0,0]=3 156 B8R1.4 CN1CCCC(N)C1 MC444227 [0,1,0,0,0,0|2,0,0]=3 157 B8R1.4 CN1CCCC(O)C1 MC445500 [0,1,0,0,0,0|2,0,0]=3 158 B8R1.4 CN1CCNC(=O)C1 CS13438 [0,1,0,0,0,0|2,0,0]=3 159 B8R1.4 CN1CCOC(=O)C1 CS17566 [0,1,0,0,0,0|2,0,0]=3 160 B8R1.4 NC1CCCC(N)C1 CS17066 [0,1,0,0,0,0|1,0,1]=3 161 B8R1.4 NC1CCCC(O)C1 CS17342 [0,1,0,0,0,0|0,0,2]=3 162 B8R1.4 NC1CCCC(O)C1 CS18558 [0,1,0,0,0,0|0,0,2]=3 163 B8R1.4 NC1CCCC(O)C1 MC116000 [0,1,0,0,0,0|0,0,2]=3 164 B8R1.4 NC1CCCC(O)C1 MC116001 [0,1,0,0,0,0|0,0,2]=3 165 B8R1.4 NC1CCNC(=O)C1 CS15459 [0,1,0,0,0,0|1,0,0]=2 166 B8R1.4 NC1CCNC(=O)C1 MC444313 [0,1,0,0,0,0|1,0,0]=2 167 B8R1.4 O=C1CCCC(=O)C1 CS19094 [0,1,0,0,0,0|0,0,1]=2 168 B8R1.4 O=C1CCCC(=O)O1 CS11243 [0,1,0,0,0,0|1,0,1]=3 169 B8R1.4 O=C1CCNC(=O)C1 CS18339 [0,1,0,0,0,0|1,0,1]=3 170 B8R1.4 O=C1CNCC(=O)N1 CS19079 [0,1,0,0,0,0|2,0,1]=4 171 B8R1.5 BrC1CCCCC1Br CS20488 [0,1,0,0,0,0|1,0,1]=3 172 B8R1.5 CC1=NCCCN1C MC20695 [0,1,0,0,0,0|3,0,0]=4 173 B8R1.5 CC1CCNCC1=O MC105562 [0,1,0,0,0,0|1,0,0]=2 174 B8R1.5 CC1CCNCC1O MC103744 [0,1,0,0,0,0|1,0,2]=4 175 B8R1.5 CC1CCNCC1O MC103745 [0,1,0,0,0,0|1,0,2]=4 176 B8R1.5 CC1CCNCC1O MC105563 [0,1,0,0,0,0|1,0,2]=4 177 B8R1.5 CC1CCNCC1O MC105564 [0,1,0,0,0,0|1,0,2]=4 178 B8R1.5 CC1CCNCC1O MC444275 [0,1,0,0,0,0|1,0,2]=4 179 B8R1.5 CC1CNCCC1=O MC106748 [0,1,0,0,0,0|1,0,0]=2 180 B8R1.5 CC1CNCCN1C MC444011 [0,1,0,0,0,0|3,0,0]=4 181 B8R1.5 CC1CNCCN1C MC444015 [0,1,0,0,0,0|3,0,0]=4 182 B8R1.5 CC1COCCC1=O MC425868 [0,1,0,0,0,0|1,0,0]=2 183 B8R1.5 CC1COCCC1N MC100869 [0,1,0,0,0,0|2,0,1]=4 184 B8R1.5 CC1COCCC1N MC104730 [0,1,0,0,0,0|2,0,1]=4 185 B8R1.5 CN1CCNCC1=O CS17040 [0,1,0,0,0,0|2,0,0]=3 186 B8R1.5 CN1CCNCC1=O CS18390 [0,1,0,0,0,0|2,0,0]=3 187 B8R1.5 FC1CCNCC1F MC105603 [0,1,0,0,0,0|2,0,1]=4 188 B8R1.5 FC1CCNCC1F MC105604 [0,1,0,0,0,0|2,0,1]=4 189 B8R1.5 NC1CCCCC1N CS11826 [0,1,0,0,0,0|1,0,1]=3 190 B8R1.5 NC1CCCCC1N CS22821 [0,1,0,0,0,0|1,0,1]=3 191 B8R1.5 NC1CCCCC1O CS12403 [0,1,0,0,0,0|0,0,2]=3 192 B8R1.5 NC1CCCCC1O CS12547 [0,1,0,0,0,0|0,0,2]=3 193 B8R1.5 NC1CCCCC1O CS12548 [0,1,0,0,0,0|0,0,2]=3 194 B8R1.5 NC1CCCCC1O CS14928 [0,1,0,0,0,0|0,0,2]=3 195 B8R1.5 NC1CCCCC1O CS18590 [0,1,0,0,0,0|0,0,2]=3 196 B8R1.5 NC1CCCCC1O MC20710 [0,1,0,0,0,0|0,0,2]=3 197 B8R1.5 NC1CCCCC1O MC20824 [0,1,0,0,0,0|0,0,2]=3 198 B8R1.5 NC1CCCNC1=O MC106744 [0,1,0,0,0,0|1,0,0]=2 199 B8R1.5 NC1CCOCC1O MC102103 [0,1,0,0,0,0|1,0,2]=4 200 B8R1.5 NC1CCOCC1O MC102104 [0,1,0,0,0,0|1,0,2]=4 201 B8R1.5 NC1CCOCC1O MC102509 [0,1,0,0,0,0|1,0,2]=4 202 B8R1.5 NC1COCCC1O MC427129 [0,1,0,0,0,0|1,0,2]=4 203 B8R1.5 O=C1CCCC=C1I MC106097 [0,1,0,0,0,0|0,0,2]=3 204 B8R1.5 O=C1CCCCC1=O CS20486 [0,1,0,0,0,0|0,0,1]=2 205 B8R1.5 O=C1CCNCC1Br MC106749 [0,1,0,0,0,0|1,0,0]=2 206 B8R1.5 O=C1NCCCC1Br CS14644 [0,1,0,0,0,0|1,0,0]=2 207 B8R1.5 O=C1NCCCC1O CS19689 [0,1,0,0,0,0|1,0,0]=2 208 B8R1.5 O=C1OCCCC1O CS16147 [0,1,0,0,0,0|1,0,0]=2 209 B8R1.5 OC1CCCCC1F MC107093 [0,1,0,0,0,0|0,0,2]=3 210 B8R1.5 OC1CCCCC1O CS12029 [0,1,0,0,0,0|0,0,2]=3 211 B8R1.5 OC1CCNCC1F MC101962 [0,1,0,0,0,0|1,0,2]=4 212 B8R1.5 OC1CCNCC1F MC103718 [0,1,0,0,0,0|1,0,2]=4 213 B8R1.5 OC1CCNCC1O MC101991 [0,1,0,0,0,0|1,0,2]=4 214 B8R1.5 OC1CCNCC1O MC111756 [0,1,0,0,0,0|1,0,2]=4 215 B8R1.5 OC1CCNCC1O MC116420 [0,1,0,0,0,0|1,0,2]=4 216 B8R1.5 OC1CNCCC1F MC101961 [0,1,0,0,0,0|1,0,2]=4 217 B8R1.72 CC1(C)CCNCC1 CS13819 [0,1,0,0,0,0|2,0,1]=4 218 B8R1.72 CC1(N)CCOCC1 CS14346 [0,1,0,0,0,0|2,0,1]=4 219 B8R1.72 CC1(N)CCOCC1 MC106879 [0,1,0,0,0,0|2,0,1]=4 220 B8R1.72 CC1(O)CCCNC1 MC444294 [0,1,0,0,0,0|1,0,2]=4 221 B8R1.72 CC1(O)CCNCC1 MC443374 [0,1,0,0,0,0|1,0,2]=4 222 B8R1.72 CC1(O)CCOCC1 CS12641 [0,1,0,0,0,0|1,0,2]=4 223 B8R1.72 FC1(F)CCCNC1 CS21902 [0,1,0,0,0,0|2,0,1]=4 224 B8R1.72 FC1(F)CCNCC1 CS18259 [0,1,0,0,0,0|2,0,1]=4 225 B8R1.72 O=S1(=O)CCCCN1 MC428209 [0,1,0,0,0,0|2,0,0]=3 226 B8R1.72 O=S1(=O)CCNCC1 CS16686 [0,1,0,0,0,0|2,0,0]=3 227 B8R1.72 OC1(O)CCNCC1 CS10106 [0,1,0,0,0,0|1,0,2]=4 228 B6R0.1 C#CC(=O)OCC MC434052 [0,0,1,0,0,0|1,0,2]=4 229 B6R0.1 CCC(C)CCBr MC112369 [0,0,1,0,0,0|2,0,1]=4 230 B6R0.1 CCCC(=O)NN CS22544 [0,0,1,0,0,0|2,0,0]=3 231 B6R0.1 CCCC(C)CBr MC112368 [0,0,1,0,0,0|2,0,1]=4 232 B6R0.1 CCCC(O)CO CS20495 [0,0,1,0,0,0|1,0,2]=4 233 B6R0.1 CCNC(=O)NC MC428152 [0,0,1,0,0,0|2,0,0]=3 234 B6R0.1 CCOC(=O)CBr MC41907 [0,0,1,0,0,0|2,0,0]=3 235 B6R0.1 CCOC(=O)CCl MC41910 [0,0,1,0,0,0|2,0,0]=3 236 B6R0.1 CCOC(=O)CN CS15347 [0,0,1,0,0,0|2,0,0]=3 237 B6R0.1 CCOC(=O)CO CS11386 [0,0,1,0,0,0|2,0,0]=3 238 B6R0.1 CCOC(=O)NN CS11383 [0,0,1,0,0,0|3,0,0]=4 239 B6R0.1 CNC(=O)CC#N CS18404 [0,0,1,0,0,0|2,0,1]=4 240 B6R0.1 CNC(=O)CCN MC112263 [0,0,1,0,0,0|2,0,0]=3 241 B6R0.1 CNCC(=O)OC MC438154 [0,0,1,0,0,0|2,0,0]=3 242 B6R0.1 COC(=O)CC#N MC428339 [0,0,1,0,0,0|2,0,1]=4 243 B6R0.1 COC(=O)CCBr CS18993 [0,0,1,0,0,0|2,0,0]=3 244 B6R0.1 COC(=O)CCN CS22266 [0,0,1,0,0,0|2,0,0]=3 245 B6R0.1 COCC(=O)NN CS11580 [0,0,1,0,0,0|3,0,0]=4 246 B6R0.1 C\C=C\C(=O)OC MC41953 [0,0,1,0,0,0|1,0,2]=4 247 B6R0.1 O=C(CCl)NCO CS14580 [0,0,1,0,0,0|3,0,0]=4 248 B6R0.4 C#CCCC(=O)Cl MC106035 [0,0,1,0,0,0|1,0,2]=4 249 B6R0.4 C#CCCC(=O)O MC428029 [0,0,1,0,0,0|1,0,2]=4 250 B6R0.4 C#CCCC(N)=O MC106194 [0,0,1,0,0,0|1,0,2]=4 251 B6R0.4 C=CCCC(=O)O CS15216 [0,0,1,0,0,0|1,0,2]=4 252 B6R0.4 CC(=O)CCCBr CS10305 [0,0,1,0,0,0|1,0,0]=2 253 B6R0.4 CC(=O)CCCCl CS10334 [0,0,1,0,0,0|1,0,0]=2 254 B6R0.4 CC(=O)NCCCl MC33011 [0,0,1,0,0,0|2,0,0]=3 255 B6R0.4 CC(C)CCCO MC428025 [0,0,1,0,0,0|2,0,1]=4 256 B6R0.4 CCCCC(=O)Cl MC40508 [0,0,1,0,0,0|1,0,0]=2 257 B6R0.4 CN(C)CCCBr CS22184 [0,0,1,0,0,0|3,0,0]=4 258 B6R0.4 CN(C)CCCCl CS13505 [0,0,1,0,0,0|3,0,0]=4 259 B6R0.4 CN(C)CCCCl CS14943 [0,0,1,0,0,0|3,0,0]=4 260 B6R0.4 CNCCN(C)C CS11723 [0,0,1,0,0,0|3,0,0]=4 261 B6R0.4 CNCCN(C)C CS15131 [0,0,1,0,0,0|3,0,0]=4 262 B6R0.4 CO\C=C\C(C)=O MC33352 [0,0,1,0,0,0|1,0,2]=4 263 B6R0.4 N#CCCC(=O)O CS22262 [0,0,1,0,0,0|2,0,1]=4 264 B6R0.4 NCCCC(=O)O CS14998 [0,0,1,0,0,0|2,0,0]=3 265 B6R0.4 NCCCC(N)=O MC112262 [0,0,1,0,0,0|2,0,0]=3 266 B6R0.4 O=C(Cl)CCCCl MC40450 [0,0,1,0,0,0|2,0,0]=3 267 B6R0.4 O=C(O)CCCBr CS14053 [0,0,1,0,0,0|2,0,0]=3 268 B6R0.6 BrCCCCCBr MC41886 [0,0,1,0,0,0|2,0,1]=4 269 B6R0.6 C#CCCCCO MC424004 [0,0,1,0,0,0|2,0,1]=4 270 B6R0.6 C=CCCCCCl MC427568 [0,0,1,0,0,0|2,0,0]=3 271 B6R0.6 C=CCCCCN MC111853 [0,0,1,0,0,0|2,0,0]=3 272 B6R0.6 C=CCCCCO CS10397 [0,0,1,0,0,0|2,0,0]=3 273 B6R0.6 C=CCCC[Zn]Br MC121349 [0,0,1,0,0,0|3,0,0]=4 274 B6R0.6 C=COCCCN MC41859 [0,0,1,0,0,0|3,0,0]=4 275 B6R0.6 CCCOCCCl MC428009 [0,0,1,0,0,0|2,0,1]=4 276 B6R0.6 COCCCC=O MC111975 [0,0,1,0,0,0|1,0,0]=2 277 B6R0.6 COCCCCBr CS22933 [0,0,1,0,0,0|2,0,1]=4 278 B6R0.6 COCCCCCl MC428014 [0,0,1,0,0,0|2,0,1]=4 279 B6R0.6 FCCCCCBr CS14708 [0,0,1,0,0,0|2,0,1]=4 280 B6R0.6 FCCCC[Mg]Br MC116032 [0,0,1,0,0,0|3,0,0]=4 281 B6R0.6 N#CCCCCCl CS10359 [0,0,1,0,0,0|2,0,1]=4 282 B6R0.6 NCCCCCN CS19074 [0,0,1,0,0,0|2,0,1]=4 283 B6R0.6 OCCCCCCl CS14778 [0,0,1,0,0,0|1,0,2]=4 284 B6R0.6 OCCCCCO CS20549 [0,0,1,0,0,0|1,0,2]=4 285 B8R2.11 C12CNCC1C2O MC102023 [0,0,0,1,0,0|1,0,2]=4 286 B8R2.18 NC1CC2CC2C1 MC103540 [0,0,0,1,0,0|1,0,1]=3 287 B8R2.23 C1NCC2CC1C2 MC115688 [0,0,0,1,0,0|2,0,1]=4 288 B8R2.23 C1NCC2CC1O2 MC102903 [0,0,0,1,0,0|1,0,2]=4 289 B8R2.23 C1OCC2CC1N2 MC116488 [0,0,0,1,0,0|2,0,1]=4 290 B8R2.25 C1CC2CC2CN1 MC105241 [0,0,0,1,0,0|2,0,1]=4 291 B8R2.25 C1CC2OC2CO1 MC427300 [0,0,0,1,0,0|1,0,2]=4 292 B8R2.25 C1CCC2OC2C1 MC41785 [0,0,0,1,0,0|0,0,2]=3 293 B8R2.34 C1CC2CCC1N2 CS10780 [0,0,0,1,0,0|1,0,1]=3 294 B8R2.34 C1CC2CCC1N2 MC113036 [0,0,0,1,0,0|1,0,1]=3 295 B6R1.2 BrC1CCNC1 CS15742 [0,0,0,0,1,0|2,0,1]=4 296 B6R1.2 BrC1CCOC1 CS14643 [0,0,0,0,1,0|2,0,1]=4 297 B6R1.2 CC1=NCCC1 CS21664 [0,0,0,0,1,0|2,0,0]=3 298 B6R1.2 CC1CCCN1 CS18299 [0,0,0,0,1,0|2,0,1]=4 299 B6R1.2 CC1CCCN1 CS18800 [0,0,0,0,1,0|2,0,1]=4 300 B6R1.2 CC1CCCN1 CS19735 [0,0,0,0,1,0|2,0,1]=4 301 B6R1.2 CC1CCCN1 CS21699 [0,0,0,0,1,0|2,0,1]=4 302 B6R1.2 CC1CCCN1 CS21700 [0,0,0,0,1,0|2,0,1]=4 303 B6R1.2 CC1CCCN1 MC428345 [0,0,0,0,1,0|2,0,1]=4 304 B6R1.2 CC1CCCO1 MC20580 [0,0,0,0,1,0|2,0,1]=4 305 B6R1.2 FC1CCNC1 CS12894 [0,0,0,0,1,0|2,0,1]=4 306 B6R1.2 FC1CCNC1 CS14870 [0,0,0,0,1,0|2,0,1]=4 307 B6R1.2 FC1CCNC1 MC31003 [0,0,0,0,1,0|2,0,1]=4 308 B6R1.2 IC1CCOC1 MC101926 [0,0,0,0,1,0|2,0,1]=4 309 B6R1.2 NC1=NCCC1 CS19310 [0,0,0,0,1,0|2,0,0]=3 310 B6R1.2 NC1CCOC1 CS12010 [0,0,0,0,1,0|2,0,1]=4 311 B6R1.2 NC1CCOC1 CS13003 [0,0,0,0,1,0|2,0,1]=4 312 B6R1.2 NC1CCOC1 CS20366 [0,0,0,0,1,0|2,0,1]=4 313 B6R1.2 NC1CCOC1 MC443324 [0,0,0,0,1,0|2,0,1]=4 314 B6R1.2 NC1CCOC1 MC444237 [0,0,0,0,1,0|2,0,1]=4 315 B6R1.2 O=C1CC=NN1 CS20496 [0,0,0,0,1,0|2,0,1]=4 316 B6R1.2 O=C1CCCC1 MC21085 [0,0,0,0,1,0|0,0,0]=1 317 B6R1.2 O=C1CCNC1 CS22412 [0,0,0,0,1,0|1,0,0]=2 318 B6R1.2 O=C1CCOC1 CS18178 [0,0,0,0,1,0|1,0,0]=2 319 B6R1.2 O=C1CCSC1 MC20305 [0,0,0,0,1,0|1,0,0]=2 320 B6R1.2 O=C1CNCN1 CS15654 [0,0,0,0,1,0|2,0,0]=3 321 B6R1.2 O=C1NCCN1 CS21607 [0,0,0,0,1,0|2,0,0]=3 322 B6R1.2 O=C1NCCS1 CS20525 [0,0,0,0,1,0|2,0,0]=3 323 B6R1.2 O=C1OCCO1 CS20012 [0,0,0,0,1,0|2,0,0]=3 324 B6R1.2 OC1CCNC1 CS16166 [0,0,0,0,1,0|1,0,2]=4 325 B6R1.2 OC1CCNC1 CS16635 [0,0,0,0,1,0|1,0,2]=4 326 B6R1.2 OC1CCNC1 CS16650 [0,0,0,0,1,0|1,0,2]=4 327 B6R1.2 OC1CCNC1 CS17407 [0,0,0,0,1,0|1,0,2]=4 328 B6R1.2 OC1CCNC1 CS21757 [0,0,0,0,1,0|1,0,2]=4 329 B6R1.2 OC1CCOC1 CS20284 [0,0,0,0,1,0|1,0,2]=4 330 B6R1.2 OC1CCOC1 MC42235 [0,0,0,0,1,0|1,0,2]=4 331 B6R1.2 OC1CCOC1 MC444279 [0,0,0,0,1,0|1,0,2]=4 332 B8R1.22 CC1CCNCCN1 MC104490 [0,0,0,0,0,1|2,0,1]=4 333 B8R1.22 FC1CCCNCC1 MC103919 [0,0,0,0,0,1|1,0,1]=3 334 B8R1.22 NC1CCCCNC1 CS18624 [0,0,0,0,0,1|1,0,1]=3 335 B8R1.22 NC1CCCCNC1 MC104803 [0,0,0,0,0,1|1,0,1]=3 336 B8R1.22 NC1CCCCNC1 MC425605 [0,0,0,0,0,1|1,0,1]=3 337 B8R1.22 O=C1CCCNCC1 CS19096 [0,0,0,0,0,1|0,0,0]=1 338 B8R1.22 O=C1CCNCCN1 CS18857 [0,0,0,0,0,1|1,0,0]=2 339 B8R1.22 O=C1CCSCCN1 MC121122 [0,0,0,0,0,1|1,0,0]=2 340 B8R1.22 O=S1CCCNCC1 MC100495 [0,0,0,0,0,1|1,0,0]=2 341 B5R0.1 C=C(C)CCBr CS14513 [1,0,1,0,0,0|2,0,0]=4 342 B5R0.1 CCCC(C)=O CS21731 [1,0,1,0,0,0|0,0,0]=2 343 B5R0.1 CCC[N+](=O)[O-] MC428297 [1,0,1,0,0,0|2,0,0]=4 344 B5R0.1 CNCC(=O)O CS18595 [1,0,1,0,0,0|2,0,0]=4 345 B5R0.1 CNCC(N)=O MC438151 [1,0,1,0,0,0|2,0,0]=4 346 B5R0.1 COCC(=O)Cl MC40491 [1,0,1,0,0,0|2,0,0]=4 347 B5R0.1 COCC(=O)O CS11579 [1,0,1,0,0,0|2,0,0]=4 348 B5R0.1 COCC(N)=O MC41924 [1,0,1,0,0,0|2,0,0]=4 349 B5R0.1 CSCC(=O)Cl MC106201 [1,0,1,0,0,0|2,0,0]=4 350 B5R0.1 CSCC(N)=O CS12608 [1,0,1,0,0,0|2,0,0]=4 351 B5R0.1 NCCC(=O)O CS13499 [1,0,1,0,0,0|2,0,0]=4 352 B5R0.1 NCCC(N)=O MC436150 [1,0,1,0,0,0|2,0,0]=4 353 B5R0.1 O=C(O)CCO MC20638 [1,0,1,0,0,0|2,0,0]=4 354 B5R0.2 BrCCCCBr MC41885 [1,0,1,0,0,0|2,0,0]=4 355 B5R0.2 CCCCCBr CS20657 [1,0,1,0,0,0|1,0,0]=3 356 B5R0.2 CCCC[Zn]Br MC121334 [1,0,1,0,0,0|2,0,0]=4 357 B5R0.2 CCOCCBr CS21396 [1,0,1,0,0,0|2,0,0]=4 358 B5R0.2 CCOCCCl MC428008 [1,0,1,0,0,0|2,0,0]=4 359 B5R0.2 CNCCCO CS14200 [1,0,1,0,0,0|1,0,1]=4 360 B5R0.2 CNCCNC CS15116 [1,0,1,0,0,0|2,0,0]=4 361 B5R0.2 CNCCOC MC427349 [1,0,1,0,0,0|2,0,0]=4 362 B5R0.2 COCCCBr CS20649 [1,0,1,0,0,0|2,0,0]=4 363 B5R0.2 COCCCO CS20039 [1,0,1,0,0,0|1,0,1]=4 364 B5R0.2 COCCOC MC41899 [1,0,1,0,0,0|2,0,0]=4 365 B5R0.2 COCCOC MC445008 [1,0,1,0,0,0|2,0,0]=4 366 B5R0.2 NCCCCBr CS14979 [1,0,1,0,0,0|2,0,0]=4 367 B5R0.2 NCCCCN CS19906 [1,0,1,0,0,0|2,0,0]=4 368 B5R0.3 CNC(=O)CCl MC21094 [1,0,1,0,0,0|2,0,0]=4 369 B5R0.3 CNC(=O)CN MC437710 [1,0,1,0,0,0|2,0,0]=4 370 B5R0.3 COC(=O)CN CS15045 [1,0,1,0,0,0|2,0,0]=4 371 B5R0.3 COC(=O)CO CS19433 [1,0,1,0,0,0|2,0,0]=4 372 B5R0.3 COC(=O)CS MC20578 [1,0,1,0,0,0|2,0,0]=4 373 B5R0.3 O=C(CO)CO CS11245 [1,0,1,0,0,0|2,0,0]=4 374 B7R0.2 CC(C)OC(=O)CO CS11522 [0,1,1,0,0,0|2,0,0]=4 375 B7R0.2 CCC(=O)CC(C)=O CS21124 [0,1,1,0,0,0|0,0,1]=3 376 B7R0.2 CCC(=O)OC(C)=O CS16382 [0,1,1,0,0,0|1,0,1]=4 377 B7R0.2 COC(=O)CC(C)=O MC41927 [0,1,1,0,0,0|1,0,1]=4 378 B7R0.2 COC(=O)CC(C)O CS11584 [0,1,1,0,0,0|1,0,0]=3 379 B7R0.3 C#CCCC(=O)OC MC424002 [0,1,1,0,0,0|1,0,1]=4 380 B7R0.3 CCC(O)CCCO MC116029 [0,1,1,0,0,0|0,0,2]=4 381 B7R0.3 COC(=O)CCC=O MC21172 [0,1,1,0,0,0|1,0,1]=4 382 B7R0.3 COC(=O)CCCBr MC427387 [0,1,1,0,0,0|1,0,0]=3 383 B7R0.3 COC(=O)CCCN MC439309 [0,1,1,0,0,0|1,0,0]=3 384 B7R0.3 COCCC(=O)NN MC111753 [0,1,1,0,0,0|2,0,0]=4 385 B7R0.5 CC(C)C(=O)CC#N MC41933 [0,1,1,0,0,0|1,0,1]=4 386 B7R0.5 CCOC(=O)C(C)C CS11388 [0,1,1,0,0,0|1,0,0]=3 387 B7R0.5 CCOC(=O)C(C)F MC439605 [0,1,1,0,0,0|1,0,0]=3 388 B7R0.5 CCOC(=O)C(C)N CS15404 [0,1,1,0,0,0|1,0,0]=3 389 B7R0.5 CCOC(=O)C(C)N MC436160 [0,1,1,0,0,0|1,0,0]=3 390 B7R0.5 CCOC(=O)C(C)O CS20075 [0,1,1,0,0,0|1,0,0]=3 391 B7R0.5 CCOC(=O)C(F)Br MC41908 [0,1,1,0,0,0|2,0,0]=4 392 B7R0.5 CCOC(=O)C(F)Cl MC41909 [0,1,1,0,0,0|2,0,0]=4 393 B7R0.5 CCOC(=O)C(F)F CS11385 [0,1,1,0,0,0|2,0,0]=4 394 B7R0.5 CNCC(=O)N(C)C MC438152 [0,1,1,0,0,0|2,0,0]=4 395 B7R0.7 CC#CC(=O)OCC CS10117 [0,1,1,0,0,0|0,0,2]=4 396 B7R0.7 CCCC(N)CCO CS16692 [0,1,1,0,0,0|1,0,1]=4 397 B7R0.7 CCOC(=O)CC#N MC41911 [0,1,1,0,0,0|1,0,1]=4 398 B7R0.7 CCOC(=O)CCN CS14330 [0,1,1,0,0,0|1,0,0]=3 399 B7R0.7 CCOC(=O)CNC CS17068 [0,1,1,0,0,0|1,0,0]=3 400 B7R0.7 CCOC(=O)CNN CS19987 [0,1,1,0,0,0|2,0,0]=4 401 B7R0.7 CCOC(=O)COC CS11389 [0,1,1,0,0,0|1,0,0]=3 402 B7R0.7 O=C(CCCl)CCCl CS19912 [0,1,1,0,0,0|1,0,0]=3 403 B7R0.10 CCC(Br)C(=O)OC CS14136 [0,1,1,0,0,0|1,0,0]=3 404 B7R0.10 CCC(N)C(=O)OC MC436010 [0,1,1,0,0,0|1,0,0]=3 405 B7R0.10 CNC(C)C(=O)OC MC437898 [0,1,1,0,0,0|2,0,0]=4 406 B7R0.10 COC(=O)C(C)CBr MC428281 [0,1,1,0,0,0|2,0,0]=4 407 B7R0.10 COC(=O)C(F)CO CS17081 [0,1,1,0,0,0|2,0,0]=4 408 B7R0.10 COC(=O)C(N)CCl CS22615 [0,1,1,0,0,0|2,0,0]=4 409 B7R0.10 COC(=O)C(N)CCl MC418493 [0,1,1,0,0,0|2,0,0]=4 410 B7R0.10 COC(=O)C(N)CCl MC436854 [0,1,1,0,0,0|2,0,0]=4 411 B7R0.10 COC(=O)C(N)CO CS16778 [0,1,1,0,0,0|2,0,0]=4 412 B7R0.10 COC(=O)C(N)CO CS16785 [0,1,1,0,0,0|2,0,0]=4 413 B7R0.10 COC(=O)C(N)CO CS22621 [0,1,1,0,0,0|2,0,0]=4 414 B7R0.10 COC(=O)C(N)CS CS13863 [0,1,1,0,0,0|2,0,0]=4 415 B7R0.10 COC(=O)C(N)CS MC110561 [0,1,1,0,0,0|2,0,0]=4 416 B7R0.10 COC(=O)C(O)CO MC429048 [0,1,1,0,0,0|2,0,0]=4 417 B7R0.4 C#CCCCC(=O)O CS14686 [0,1,1,0,0,0|1,0,1]=4 418 B7R0.4 CC#CCOC(C)=O MC434061 [0,1,1,0,0,0|0,0,2]=4 419 B7R0.4 CC(=O)CCCCBr CS10627 [0,1,1,0,0,0|0,0,0]=2 420 B7R0.4 CC(O)CCCCO MC112436 [0,1,1,0,0,0|0,0,2]=4 421 B7R0.4 CCCCCC(C)O CS21570 [0,1,1,0,0,0|0,0,2]=4 422 B7R0.4 CCCOCC(=O)O MC425744 [0,1,1,0,0,0|1,0,0]=3 423 B7R0.4 CCC\C=C\C(C)=O MC20875 [0,1,1,0,0,0|0,0,1]=3 424 B7R0.4 CN(C)CCCCO CS22813 [0,1,1,0,0,0|2,0,0]=4 425 B7R0.4 COCCCC(C)N MC112163 [0,1,1,0,0,0|1,0,1]=4 426 B7R0.4 NCCCCC(=O)O MC428108 [0,1,1,0,0,0|1,0,0]=3 427 B7R0.4 NCCNCC(=O)O MC436179 [0,1,1,0,0,0|2,0,0]=4 428 B7R0.4 O=C(O)CCCCBr MC41866 [0,1,1,0,0,0|1,0,0]=3 429 B7R0.6 C=C(C)CCC(=O)O CS16527 [0,1,1,0,0,0|1,0,1]=4 430 B7R0.6 CC(=O)CCC(=O)O CS18688 [0,1,1,0,0,0|1,0,1]=4 431 B7R0.6 CC(C)CCC(=O)Cl MC20895 [0,1,1,0,0,0|1,0,0]=3 432 B7R0.6 CC(C)CCC(C)N MC446673 [0,1,1,0,0,0|1,0,1]=4 433 B7R0.6 CC(N)CCC(=O)O MC435302 [0,1,1,0,0,0|1,0,0]=3 434 B7R0.6 CN(C)CCC(=O)O CS12169 [0,1,1,0,0,0|2,0,0]=4 435 B7R0.8 CCCCS(=O)(=O)Cl MC32076 [0,1,1,0,0,0|2,0,0]=4 436 B7R0.8 CCCCS(=O)(=O)F MC32077 [0,1,1,0,0,0|2,0,0]=4 437 B7R0.8 CCCCS(=O)(=O)O MC32078 [0,1,1,0,0,0|2,0,0]=4 438 B7R0.8 CCCCS(=O)(=O)[O-] MC32079 [0,1,1,0,0,0|2,0,0]=4 439 B7R0.8 CCCCS(N)(=O)=O MC32080 [0,1,1,0,0,0|2,0,0]=4 440 B7R0.1 BrCCCCCCBr CS20550 [0,1,1,0,0,0|1,0,1]=4 441 B7R0.1 C#CCCCCCO CS10705 [0,1,1,0,0,0|1,0,1]=4 442 B7R0.1 C=CCCCCCBr CS19607 [0,1,1,0,0,0|1,0,0]=3 443 B7R0.1 COCOCCC=O MC445436 [0,1,1,0,0,0|1,0,0]=3 444 B7R0.1 N#CCCCCCBr MC41862 [0,1,1,0,0,0|1,0,1]=4 445 B7R0.1 OCCCCCCBr CS14335 [0,1,1,0,0,0|0,0,2]=4 446 B7R0.1 [N-]=[N+]=NCCCC=O MC121280 [0,1,1,0,0,0|2,0,0]=4 447 B7R1.1 BrCC1CCCC1 MC20145 [0,1,0,0,1,0|1,0,1]=4 448 B7R1.1 Br[Zn]C1CCCC1 MC121342 [0,1,0,0,1,0|1,0,1]=4 449 B7R1.1 COC1=NCCC1 CS10423 [0,1,0,0,1,0|1,0,1]=4 450 B7R1.1 N#CC1CCCC1 MC433761 [0,1,0,0,1,0|1,0,1]=4 451 B7R1.1 NCC1CCCC1 CS14873 [0,1,0,0,1,0|1,0,1]=4 452 B7R1.1 O=CC1=CCCC1 CS12865 [0,1,0,0,1,0|0,0,1]=3 453 B7R1.1 O=CC1CCCC1 MC21048 [0,1,0,0,1,0|0,0,1]=3 454 B7R1.1 OCC1CCCC1 CS11185 [0,1,0,0,1,0|0,0,2]=4 455 B7R1.2 CC1=CC(=O)CC1 CS22356 [0,1,0,0,1,0|0,0,2]=4 456 B7R1.2 CC1COC(=O)N1 CS14300 [0,1,0,0,1,0|2,0,0]=4 457 B7R1.2 CC1COC(=O)O1 MC428298 [0,1,0,0,1,0|2,0,0]=4 458 B7R1.2 CN1CCC(=O)C1 CS20760 [0,1,0,0,1,0|1,0,0]=3 459 B7R1.2 CN1CCC(N)C1 MC444033 [0,1,0,0,1,0|2,0,0]=4 460 B7R1.2 CN1CCC(N)C1 MC444055 [0,1,0,0,1,0|2,0,0]=4 461 B7R1.2 CN1CCC(N)C1 MC444130 [0,1,0,0,1,0|2,0,0]=4 462 B7R1.2 CN1CCC(O)C1 MC20690 [0,1,0,0,1,0|2,0,0]=4 463 B7R1.2 CN1CCC(O)C1 MC444062 [0,1,0,0,1,0|2,0,0]=4 464 B7R1.2 CN1CCC(O)C1 MC444273 [0,1,0,0,1,0|2,0,0]=4 465 B7R1.2 NC1CCC(O)C1 CS12946 [0,1,0,0,1,0|0,0,2]=4 466 B7R1.2 NC1CCC(O)C1 CS14798 [0,1,0,0,1,0|0,0,2]=4 467 B7R1.2 NC1CCC(O)C1 CS15869 [0,1,0,0,1,0|0,0,2]=4 468 B7R1.2 NC1CCC(O)C1 CS16172 [0,1,0,0,1,0|0,0,2]=4 469 B7R1.2 NC1CNC(=O)C1 MC103473 [0,1,0,0,1,0|1,0,0]=3 470 B7R1.2 NC1COC(=O)C1 CS14340 [0,1,0,0,1,0|1,0,0]=3 471 B7R1.2 NC1COC(=O)C1 CS14674 [0,1,0,0,1,0|1,0,0]=3 472 B7R1.2 O=C1CC(O)CN1 CS14706 [0,1,0,0,1,0|1,0,0]=3 473 B7R1.2 O=C1CC(O)CN1 CS16472 [0,1,0,0,1,0|1,0,0]=3 474 B7R1.2 O=C1CCC(=O)N1 MC41707 [0,1,0,0,1,0|1,0,1]=4 475 B7R1.2 O=C1CCC(I)C1 MC115016 [0,1,0,0,1,0|0,0,0]=2 476 B7R1.2 O=C1CNC(=O)C1 MC116520 [0,1,0,0,1,0|1,0,1]=4 477 B7R1.4 CC1OCCC1=O CS14135 [0,1,0,0,1,0|1,0,0]=3 478 B7R1.4 CN1CCCC1=O MC41699 [0,1,0,0,1,0|1,0,0]=3 479 B7R1.4 NC1CCCC1O CS11147 [0,1,0,0,1,0|0,0,2]=4 480 B7R1.4 NC1CCCC1O CS15594 [0,1,0,0,1,0|0,0,2]=4 481 B7R1.4 NC1CCCC1O CS18884 [0,1,0,0,1,0|0,0,2]=4 482 B7R1.4 NC1CCCC1O CS19404 [0,1,0,0,1,0|0,0,2]=4 483 B7R1.4 NC1CCNC1=O MC107169 [0,1,0,0,1,0|1,0,0]=3 484 B7R1.4 NC1CCNC1=O MC115917 [0,1,0,0,1,0|1,0,0]=3 485 B7R1.4 NC1CCOC1=O CS18578 [0,1,0,0,1,0|1,0,0]=3 486 B7R1.4 NC1CCOC1=O MC439296 [0,1,0,0,1,0|1,0,0]=3 487 B7R1.4 NC1CCSC1=O MC428331 [0,1,0,0,1,0|1,0,0]=3 488 B7R1.4 NC1CONC1=O CS19264 [0,1,0,0,1,0|2,0,0]=4 489 B7R1.4 NC1CONC1=O CS22528 [0,1,0,0,1,0|2,0,0]=4 490 B7R1.4 NC1CONC1=O MC436879 [0,1,0,0,1,0|2,0,0]=4 491 B7R1.4 NN1CCOC1=O MC102926 [0,1,0,0,1,0|2,0,0]=4 492 B7R1.4 O=C1CCC=C1O CS14654 [0,1,0,0,1,0|0,0,2]=4 493 B7R1.4 O=C1CCCC1Br MC445112 [0,1,0,0,1,0|0,0,0]=2 494 B7R1.4 O=C1NCCC1O CS19486 [0,1,0,0,1,0|1,0,0]=3 495 B7R1.4 O=C1NCCC1O MC115910 [0,1,0,0,1,0|1,0,0]=3 496 B7R1.4 O=C1NCCC1O MC444274 [0,1,0,0,1,0|1,0,0]=3 497 B7R1.14 CC1(O)CCCC1 CS20768 [0,1,0,0,1,0|0,0,2]=4 498 B9R1.5 CN1CCCNCC1=O MC100103 [0,1,0,0,0,1|1,0,0]=3 499 B9R1.5 NC1CCCCNC1=O CS15569 [0,1,0,0,0,1|0,0,0]=2 500 B9R1.5 NC1CCCCNC1=O CS15816 [0,1,0,0,0,1|0,0,0]=2 501 B9R1.5 NC1CCCCNC1=O MC425745 [0,1,0,0,0,1|0,0,0]=2 502 B9R1.5 NC1CSCCNC1=O MC100169 [0,1,0,0,0,1|1,0,0]=3 503 B9R1.48 O=C1CCCCC(=O)C1 CS20375 [0,1,0,0,0,1|0,0,0]=2 504 B9R1.48 O=C1CCCNC(=O)C1 MC428135 [0,1,0,0,0,1|0,0,1]=3 505 B9R1.49 CN1CCCC(=O)CC1 CS13899 [0,1,0,0,0,1|0,0,0]=2 506 B9R1.49 CN1CCCC(N)CC1 MC444311 [0,1,0,0,0,1|1,0,1]=4 507 B9R1.49 CN1CCCC(O)CC1 CS13879 [0,1,0,0,0,1|0,0,2]=4 508 B9R1.89 COC1CCCNCC1 MC101899 [0,1,0,0,0,1|0,0,2]=4 509 B9R1.89 N#CC1CCCNCC1 MC425892 [0,1,0,0,0,1|1,0,1]=4 510 B9R1.89 OCC1CCCCNC1 MC105285 [0,1,0,0,0,1|0,0,2]=4 511 B9R1.148 FC1(F)CCCNCC1 MC101898 [0,1,0,0,0,1|1,0,1]=4 512 B9R1.148 O=S1(=O)CCCNCC1 MC100270 [0,1,0,0,0,1|1,0,0]=3 513 B9R1.1 CN1CCC(CN)CC1 CS21766 [0,2,0,0,0,0|2,0,0]=4 514 B9R1.1 CN1CCC(CO)CC1 CS19632 [0,2,0,0,0,0|2,0,0]=4 515 B9R1.1 CN1CCC([Mg]Cl)CC1 MC121320 [0,2,0,0,0,0|2,0,0]=4 516 B9R1.1 CNC1CCC(=O)CC1 CS14610 [0,2,0,0,0,0|0,0,0]=2 517 B9R1.1 CNC1CCC(O)CC1 MC103812 [0,2,0,0,0,0|0,0,2]=4 518 B9R1.1 CNC1CCN(C)CC1 CS18451 [0,2,0,0,0,0|2,0,0]=4 519 B9R1.1 COC1CCC(=O)CC1 CS14437 [0,2,0,0,0,0|0,0,0]=2 520 B9R1.1 COC1CCC(N)CC1 CS13257 [0,2,0,0,0,0|0,0,2]=4 521 B9R1.1 COC1CCC(N)CC1 MC429972 [0,2,0,0,0,0|0,0,2]=4 522 B9R1.1 COC1CCC(O)CC1 CS15906 [0,2,0,0,0,0|0,0,2]=4 523 B9R1.1 N#CC1CCC(=O)CC1 CS13355 [0,2,0,0,0,0|0,0,0]=2 524 B9R1.1 N#CC1CCC(O)CC1 CS14344 [0,2,0,0,0,0|0,0,2]=4 525 B9R1.1 NC1CCC(CO)CC1 MC425647 [0,2,0,0,0,0|0,0,2]=4 526 B9R1.1 NCC1CCC(=O)NC1 MC101985 [0,2,0,0,0,0|1,0,0]=3 527 B9R1.1 NCC1CCC(O)CC1 MC102788 [0,2,0,0,0,0|0,0,2]=4 528 B9R1.1 NCC1CCC(O)CC1 MC103405 [0,2,0,0,0,0|0,0,2]=4 529 B9R1.1 NCC1CCC(O)CC1 MC104233 [0,2,0,0,0,0|0,0,2]=4 530 B9R1.1 O=CC1CCC(=O)CC1 MC112097 [0,2,0,0,0,0|0,0,0]=2 531 B9R1.2 CN1CCCC(CN)C1 CS18007 [0,2,0,0,0,0|2,0,0]=4 532 B9R1.2 CN1CCCC(CN)C1 MC103935 [0,2,0,0,0,0|2,0,0]=4 533 B9R1.2 CN1CCCC(CO)C1 MC425692 [0,2,0,0,0,0|2,0,0]=4 534 B9R1.2 NCC1CCNC(=O)C1 MC101902 [0,2,0,0,0,0|1,0,0]=3 535 B9R1.2 NCC1CCNC(=O)C1 MC102333 [0,2,0,0,0,0|1,0,0]=3 536 B9R1.2 O=C1CC(CO)CCN1 MC444199 [0,2,0,0,0,0|1,0,0]=3 537 B9R1.2 O=C1COCC(CO)N1 CS17255 [0,2,0,0,0,0|2,0,0]=4 538 B9R1.6 CC(=O)C1CCOCC1 CS13055 [0,2,0,0,0,0|1,0,1]=4 539 B9R1.6 CC(=O)N1CCNCC1 CS18512 [0,2,0,0,0,0|2,0,0]=4 540 B9R1.6 N=C(N)N1CCCCC1 MC106899 [0,2,0,0,0,0|2,0,0]=4 541 B9R1.6 NC(=O)C1CCCCN1 MC425161 [0,2,0,0,0,0|1,0,1]=4 542 B9R1.6 NC(=O)C1CCCNC1 CS18298 [0,2,0,0,0,0|1,0,1]=4 543 B9R1.6 NC(=O)C1CCCNC1 MC103934 [0,2,0,0,0,0|1,0,1]=4 544 B9R1.6 NC(=O)C1CCCNC1 MC105293 [0,2,0,0,0,0|1,0,1]=4 545 B9R1.6 NC(=O)C1CCNCC1 CS22309 [0,2,0,0,0,0|1,0,1]=4 546 B9R1.6 O=C(Cl)C1=CCOCC1 MC106029 [0,2,0,0,0,0|1,0,1]=4 547 B9R1.6 O=C(O)C1=CCOCC1 MC105969 [0,2,0,0,0,0|1,0,1]=4 548 B9R1.6 O=C(O)C1CCCCC1 CS16426 [0,2,0,0,0,0|0,0,1]=3 549 B9R1.6 O=C(O)C1CCCCN1 CS13937 [0,2,0,0,0,0|1,0,1]=4 550 B9R1.6 O=C(O)C1CCCCN1 CS18416 [0,2,0,0,0,0|1,0,1]=4 551 B9R1.6 O=C(O)C1CCCCN1 CS18418 [0,2,0,0,0,0|1,0,1]=4 552 B9R1.6 O=C(O)C1CCCCN1 CS18433 [0,2,0,0,0,0|1,0,1]=4 553 B9R1.6 O=C(O)C1CCCNC1 CS12538 [0,2,0,0,0,0|1,0,1]=4 554 B9R1.6 O=C(O)C1CCCNC1 CS22802 [0,2,0,0,0,0|1,0,1]=4 555 B9R1.6 O=C(O)C1CCCNC1 CS22806 [0,2,0,0,0,0|1,0,1]=4 556 B9R1.6 O=C(O)C1CCCOC1 CS18526 [0,2,0,0,0,0|1,0,1]=4 557 B9R1.6 O=C(O)C1CCCSC1 MC113062 [0,2,0,0,0,0|1,0,1]=4 558 B9R1.6 O=C(O)C1CCNCC1 CS15208 [0,2,0,0,0,0|1,0,1]=4 559 B9R1.6 O=C(O)C1CCNCC1 CS22807 [0,2,0,0,0,0|1,0,1]=4 560 B9R1.6 O=C(O)C1CCOCC1 CS18392 [0,2,0,0,0,0|1,0,1]=4 561 B9R1.6 OB(O)C1=CCCCC1 CS18401 [0,2,0,0,0,0|0,0,2]=4 562 B9R1.6 OB(O)C1CCCCC1 CS18573 [0,2,0,0,0,0|0,0,2]=4 563 B9R1.8 BrCCN1CCCCC1 CS16757 [0,2,0,0,0,0|2,0,0]=4 564 B9R1.8 Br[Zn]CC1CCCCC1 MC121338 [0,2,0,0,0,0|1,0,1]=4 565 B9R1.8 C#CCN1CCCCC1 CS15416 [0,2,0,0,0,0|2,0,0]=4 566 B9R1.8 CCNC1CCCCC1 CS11778 [0,2,0,0,0,0|1,0,1]=4 567 B9R1.8 ClCCN1CCCCC1 CS19629 [0,2,0,0,0,0|2,0,0]=4 568 B9R1.8 NCCC1CCCCC1 CS18358 [0,2,0,0,0,0|1,0,1]=4 569 B9R1.8 NCCN1CCCCC1 CS16099 [0,2,0,0,0,0|2,0,0]=4 570 B9R1.8 O=CCN1CCOCC1 MC104422 [0,2,0,0,0,0|2,0,0]=4 571 B9R1.15 CCC1CNCCC1=O CS17950 [0,2,0,0,0,0|1,0,0]=3 572 B9R1.15 CN1CCCCC1CO CS16091 [0,2,0,0,0,0|2,0,0]=4 573 B9R1.15 CN1CCCCC1CO CS16092 [0,2,0,0,0,0|2,0,0]=4 574 B9R1.15 CN1CCCCC1CO CS18858 [0,2,0,0,0,0|2,0,0]=4 575 B9R1.15 COC1CCCNC1=O CS12712 [0,2,0,0,0,0|1,0,0]=3 576 B9R1.15 N#CC1CCCCC1=O MC33325 [0,2,0,0,0,0|0,0,0]=2 577 B9R1.15 O=CC1=C(Cl)CCCC1 MC107245 [0,2,0,0,0,0|0,0,1]=3 578 B9R1.118 C#CC1(C)CCCCC1 MC114544 [0,2,0,0,0,0|1,0,1]=4 579 B9R1.118 CCC1(O)CCCCC1 MC111123 [0,2,0,0,0,0|0,0,2]=4 580 B9R1.118 OC1(CBr)CCCCC1 MC107759 [0,2,0,0,0,0|0,0,2]=4 581 B9R1.10 C=C1CCC(C)(C)CC1 MC105700 [0,2,0,0,0,0|1,0,0]=3 582 B9R1.10 CC1(C)CCC(=O)CC1 CS22420 [0,2,0,0,0,0|0,0,0]=2 583 B9R1.10 CC1(C)CCC(O)CC1 CS22482 [0,2,0,0,0,0|0,0,2]=4 584 B9R1.10 CC1(C)OCC(=O)CO1 MC425473 [0,2,0,0,0,0|2,0,0]=4 585 B9R1.10 CC1(N)CCC(O)CC1 MC103484 [0,2,0,0,0,0|0,0,2]=4 586 B9R1.10 CC1(O)CCC(=O)CC1 CS14351 [0,2,0,0,0,0|0,0,0]=2 587 B9R1.10 CC1(O)CCC(N)CC1 MC102206 [0,2,0,0,0,0|0,0,2]=4 588 B9R1.10 CC1(O)CCC(N)CC1 MC102207 [0,2,0,0,0,0|0,0,2]=4 589 B9R1.10 CC1(O)CCC(N)CC1 MC102208 [0,2,0,0,0,0|0,0,2]=4 590 B9R1.10 NC1CCC(F)(F)CC1 MC113813 [0,2,0,0,0,0|1,0,1]=4 591 B9R1.10 NC1CCC(F)(F)CC1 MC444299 [0,2,0,0,0,0|1,0,1]=4 592 B9R1.10 NC1CCC(F)(F)CC1 MC445108 [0,2,0,0,0,0|1,0,1]=4 593 B9R1.10 NC1CCS(=O)(=O)CC1 CS22595 [0,2,0,0,0,0|1,0,0]=3 594 B9R1.10 NC1CCS(=O)(=O)CC1 MC444070 [0,2,0,0,0,0|1,0,0]=3 595 B9R1.10 O=C1CCC(F)(F)CC1 MC10539 [0,2,0,0,0,0|0,0,0]=2 596 B9R1.10 O=C1CCC(F)(F)CN1 MC105162 [0,2,0,0,0,0|1,0,0]=3 597 B9R1.10 O=C1CCS(=O)(=O)CC1 CS15032 [0,2,0,0,0,0|1,0,0]=3 598 B9R1.10 OC1CCC(F)(F)CC1 CS12250 [0,2,0,0,0,0|0,0,2]=4 599 B9R1.69 CC1CC(N)CCN1C MC104351 [0,2,0,0,0,0|2,0,0]=4 600 B9R1.69 CC1CCC(=O)NC1=O MC427305 [0,2,0,0,0,0|1,0,1]=4 601 B9R1.69 CC1CN(C)C(=O)CN1 MC104410 [0,2,0,0,0,0|2,0,0]=4 602 B9R1.69 CC1CN(C)C(=O)CN1 MC105415 [0,2,0,0,0,0|2,0,0]=4 603 B9R1.69 CC1CNC(=O)CC1=O CS12978 [0,2,0,0,0,0|1,0,1]=4 604 B9R1.69 CN1CC(N)CCC1=O MC104028 [0,2,0,0,0,0|1,0,0]=3 605 B9R1.69 CN1CC(N)CCC1=O MC444375 [0,2,0,0,0,0|1,0,0]=3 606 B9R1.69 CN1CCC(=O)CC1=O MC105215 [0,2,0,0,0,0|1,0,1]=4 607 B9R1.69 CN1CCC(N)CC1=O MC105288 [0,2,0,0,0,0|1,0,0]=3 608 B9R1.69 NC1CCC(=O)NC1=O CS13348 [0,2,0,0,0,0|1,0,1]=4 609 B9R1.69 NC1CCC(=O)NC1=O MC105196 [0,2,0,0,0,0|1,0,1]=4 610 B9R1.69 O=C1CCC(Br)C(=O)N1 MC106801 [0,2,0,0,0,0|1,0,1]=4 611 B9R1.3 CC1C(=O)CCCC1=O CS10132 [0,2,0,0,0,0|0,0,1]=3 612 B9R1.3 CN1C(=O)CCCC1=O MC446647 [0,2,0,0,0,0|1,0,1]=4 613 B9R1.3 CN1CCCC(N)C1=O MC103467 [0,2,0,0,0,0|1,0,0]=3 614 B9R1.3 CN1CCCC(N)C1=O MC104792 [0,2,0,0,0,0|1,0,0]=3 615 B9R1.3 CN1CCCC(N)C1=O MC106967 [0,2,0,0,0,0|1,0,0]=3 616 B9R1.3 CN1CCCN(C)C1=O CS14637 [0,2,0,0,0,0|2,0,0]=4 617 B9R1.34 CC1CC(=O)CC(=O)C1 CS19597 [0,2,0,0,0,0|0,0,1]=3 618 B9R1.34 CC1CC(=O)CC(C)O1 MC425912 [0,2,0,0,0,0|1,0,0]=3 619 B9R1.66 CC1(C)CC(=O)CCO1 CS17870 [0,2,0,0,0,0|1,0,0]=3 620 B9R1.66 CC1(C)CCCC(=O)C1 MC10482 [0,2,0,0,0,0|0,0,0]=2 621 B9R1.66 NC1CCCC(F)(F)C1 CS15007 [0,2,0,0,0,0|1,0,1]=4 622 B9R1.66 NC1CCCC(F)(F)C1 MC113461 [0,2,0,0,0,0|1,0,1]=4 623 B9R1.40 CC1(C)CCCOC1=O MC112082 [0,2,0,0,0,0|1,0,0]=3 624 B9R1.40 CC1(C)COCCC1=O CS16380 [0,2,0,0,0,0|1,0,0]=3 625 B9R1.40 NC1CCCCC1(F)F CS15870 [0,2,0,0,0,0|1,0,1]=4 626 B9R1.40 NC1CCCCC1(F)F MC107605 [0,2,0,0,0,0|1,0,1]=4 627 B9R1.40 O=C1NCCCC1(Br)Br CS18534 [0,2,0,0,0,0|1,0,0]=3 628 B7R1.8 O=C1CCC1CO MC104211 [0,0,1,1,0,0|1,0,0]=3 629 B7R1.8 O=C1CCC1CO MC104212 [0,0,1,1,0,0|1,0,0]=3 630 B7R1.8 O=C1CCC1CO MC104213 [0,0,1,1,0,0|1,0,0]=3 631 B7R1.22 COC(=O)C1CC1 MC41839 [0,0,1,1,0,0|1,0,0]=3 632 B7R1.22 O=C(CBr)C1CC1 MC433212 [0,0,1,1,0,0|1,0,0]=3 633 B7R1.12 CC1CC1C(=O)O MC100841 [0,0,1,1,0,0|1,0,0]=3 634 B7R1.12 CC1CC1C(=O)O MC103281 [0,0,1,1,0,0|1,0,0]=3 635 B7R1.12 CC1CC1C(N)=O MC425328 [0,0,1,1,0,0|1,0,0]=3 636 B7R1.12 NC(=O)C1CC1F MC102846 [0,0,1,1,0,0|2,0,0]=4 637 B7R1.12 O=C(O)C1CC1Br MC430635 [0,0,1,1,0,0|2,0,0]=4 638 B7R1.12 O=C(O)C1CC1F MC21162 [0,0,1,1,0,0|2,0,0]=4 639 B7R1.12 O=C(O)C1CC1F MC425300 [0,0,1,1,0,0|2,0,0]=4 640 B7R1.12 O=C(O)C1CC1F MC425301 [0,0,1,1,0,0|2,0,0]=4 641 B7R1.12 O=C(O)C1CC1F MC425302 [0,0,1,1,0,0|2,0,0]=4 642 B7R1.12 O=C(O)C1CC1F MC425316 [0,0,1,1,0,0|2,0,0]=4 643 B7R1.12 O=C(O)C1CC1I MC102749 [0,0,1,1,0,0|2,0,0]=4 644 B7R1.12 O=C(O)C1CC1I MC425298 [0,0,1,1,0,0|2,0,0]=4 645 B7R1.18 CC(O)C1CCC1 CS20672 [0,0,1,1,0,0|0,0,2]=4 646 B7R1.18 NC(=O)C1CNC1 MC10515 [0,0,1,1,0,0|2,0,0]=4 647 B7R1.18 NC(=O)C1CNC1 MC10516 [0,0,1,1,0,0|2,0,0]=4 648 B7R1.18 O=C(O)C1CCC1 CS22786 [0,0,1,1,0,0|1,0,0]=3 649 B7R1.18 O=C(O)C1CCN1 CS16493 [0,0,1,1,0,0|2,0,0]=4 650 B7R1.18 O=C(O)C1CCN1 CS16972 [0,0,1,1,0,0|2,0,0]=4 651 B7R1.18 O=C(O)C1CCN1 CS18844 [0,0,1,1,0,0|2,0,0]=4 652 B7R1.18 O=C(O)C1CCN1 MC436280 [0,0,1,1,0,0|2,0,0]=4 653 B7R1.18 O=C(O)C1CCO1 MC115721 [0,0,1,1,0,0|2,0,0]=4 654 B7R1.18 O=C(O)C1CNC1 CS16485 [0,0,1,1,0,0|2,0,0]=4 655 B7R1.18 O=C(O)C1COC1 CS22389 [0,0,1,1,0,0|2,0,0]=4 656 B7R1.18 O=C(O)C1CSC1 MC100118 [0,0,1,1,0,0|2,0,0]=4 657 B7R1.20 N=C(N)CC1CC1 MC114877 [0,0,1,1,0,0|2,0,0]=4 658 B7R1.20 O=C(O)CC1CC1 MC433946 [0,0,1,1,0,0|1,0,0]=3 659 B7R2.13 C1CC2CC2N1 MC105462 [1,0,0,1,0,0|1,0,0]=3 660 B7R2.13 C1CC2CC2N1 MC121378 [1,0,0,1,0,0|1,0,0]=3 661 B7R2.13 C1NCC2CC12 MC104429 [1,0,0,1,0,0|1,0,0]=3 662 B7R2.13 C1NCC2CC12 MC425327 [1,0,0,1,0,0|1,0,0]=3 663 B9R2.6 CC12CCNCC1C2 MC105242 [0,0,0,1,0,1|1,0,1]=4 664 B9R2.7 CN1CC2CNCC21 MC104160 [0,0,0,1,0,1|2,0,0]=4 665 B9R2.7 CN1CC2CNCC21 MC105327 [0,0,0,1,0,1|2,0,0]=4 666 B9R2.7 CN1CC2CNCC21 MC105328 [0,0,0,1,0,1|2,0,0]=4 667 B9R2.33 CN1CC2CNC2C1 MC104159 [0,0,0,1,0,1|2,0,0]=4 668 B9R2.33 CN1CC2CNC2C1 MC105329 [0,0,0,1,0,1|2,0,0]=4 669 B9R2.33 CN1CC2CNC2C1 MC105330 [0,0,0,1,0,1|2,0,0]=4 670 B9R2.68 C1CC2CCC(C1)N2 MC444465 [0,0,0,1,0,1|1,0,1]=4 671 B9R2.68 C1CC2CNCC1N2 CS15955 [0,0,0,1,0,1|1,0,1]=4 672 B9R2.68 C1CC2CNCC1O2 CS10860 [0,0,0,1,0,1|0,0,2]=4 673 B9R2.68 C1CC2COCC1N2 CS14923 [0,0,0,1,0,1|1,0,1]=4 674 B9R2.68 C1CC2COCC1N2 MC102946 [0,0,0,1,0,1|1,0,1]=4 675 B9R2.68 C1CC2COCC1N2 MC105474 [0,0,0,1,0,1|1,0,1]=4 676 B9R2.68 C1CN2CCC(C2)N1 MC103662 [0,0,0,1,0,1|2,0,0]=4 677 B9R2.68 C1CN2CCC(C2)N1 MC105589 [0,0,0,1,0,1|2,0,0]=4 678 B9R2.109 O=C1CCCC2CC12 MC102253 [0,0,0,1,0,1|0,0,0]=2 679 B9R2.49 C1CC2CCC1CN2 MC425241 [0,1,0,1,0,0|1,0,1]=4 680 B9R2.49 C1CN2CCC1CC2 MC440084 [0,1,0,1,0,0|2,0,0]=4 681 B9R2.19 O=C1NCC2CC1N2 MC105469 [0,1,0,1,0,0|1,0,0]=3 682 B9R2.54 CN1CC2C(N)C2C1 MC444499 [0,1,0,1,0,0|2,0,0]=4 683 B9R2.25 O=C1OC(=O)C2CC12 CS22387 [0,1,0,1,0,0|1,0,1]=4 684 B9R2.39 OC1CC2CCC1N2 MC105311 [0,1,0,1,0,0|0,0,2]=4 685 B9R2.39 OC1CC2CCC1N2 MC105312 [0,1,0,1,0,0|0,0,2]=4 686 B5R1.1 C1=CCNC1 MC10278 [1,0,0,0,1,0|1,0,1]=4 687 B5R1.1 C1CCNC1 MC41708 [1,0,0,0,1,0|1,0,0]=3 688 B5R1.1 C1CNNC1 CS16750 [1,0,0,0,1,0|2,0,0]=4 689 B5R1.2 O=C1CCC1 MC10479 [0,0,0,0,2,0|0,0,0]=2 690 B5R1.2 O=C1CCN1 MC31231 [0,0,0,0,2,0|1,0,0]=3 691 B5R1.2 O=C1CNC1 MC444241 [0,0,0,0,2,0|1,0,0]=3 692 B5R1.2 O=C1COC1 CS22391 [0,0,0,0,2,0|1,0,0]=3 693 B5R1.2 O=C1CSC1 CS13345 [0,0,0,0,2,0|1,0,0]=3 694 B5R1.2 OC1CCC1 CS11176 [0,0,0,0,2,0|0,0,2]=4 695 B9R1.50 O=C1CCCCCCN1 CS21316 [0,0,0,0,0,2|0,0,0]=2