0 B7R0.1 BrCCCCCCBr CS20550 [0,0,0,0,0,0|2,0,2]=4 1 B7R0.1 C#CCCCCCO CS10705 [0,0,0,0,0,0|0,0,4]=4 2 B7R0.1 NCCCNCCBr CS13982 [0,0,0,0,0,0|3,0,1]=4 3 B7R0.1 OCCCCCCBr CS14335 [0,0,0,0,0,0|1,0,2]=3 4 B6R0.6 BrCCCCCBr MC41886 [1,0,0,0,0,0|2,0,1]=4 5 B6R0.6 C#CCCCCO MC424004 [1,0,0,0,0,0|0,0,3]=4 6 B6R0.6 C=CCCCCCl MC427568 [1,0,0,0,0,0|1,0,2]=4 7 B6R0.6 C=CCCCCN MC111853 [1,0,0,0,0,0|1,0,2]=4 8 B6R0.6 C=CCCCCO CS10397 [1,0,0,0,0,0|0,0,2]=3 9 B6R0.6 C=COCCCN MC41859 [1,0,0,0,0,0|2,0,1]=4 10 B6R0.6 CCCOCCCl MC428009 [1,0,0,0,0,0|2,0,1]=4 11 B6R0.6 COCCCCBr CS22933 [1,0,0,0,0,0|2,0,1]=4 12 B6R0.6 COCCCCCl MC428014 [1,0,0,0,0,0|2,0,1]=4 13 B6R0.6 FCCCCCBr CS14708 [1,0,0,0,0,0|2,0,1]=4 14 B6R0.6 NCCCCCN CS19074 [1,0,0,0,0,0|2,0,1]=4 15 B6R0.6 OCCCCCCl CS14778 [1,0,0,0,0,0|1,0,1]=3 16 B6R0.6 OCCCCCO CS20549 [1,0,0,0,0,0|1,0,1]=3 17 B6R0.6 OCCOCCO MC41893 [1,0,0,0,0,0|2,0,1]=4 18 B8R0.1 C#CCCC(=O)OCC MC424003 [0,1,0,0,0,0|2,0,1]=4 19 B8R0.1 CCCC(C)CCCO MC112367 [0,1,0,0,0,0|0,0,2]=3 20 B8R0.1 CCOC(=O)CCCO MC111642 [0,1,0,0,0,0|1,0,0]=2 21 B8R0.1 CCOC(=O)\C=C\CO MC103341 [0,1,0,0,0,0|1,0,2]=4 22 B8R0.4 C#CCCCCCCO CS10833 [0,1,0,0,0,0|0,0,3]=4 23 B8R0.4 CCCCCOCCO MC437002 [0,1,0,0,0,0|0,0,2]=3 24 B8R0.4 CCCCNCCCC CS11229 [0,1,0,0,0,0|1,0,2]=4 25 B8R0.4 CCC\C=C\C=C\CO CS17006 [0,1,0,0,0,0|0,0,2]=3 26 B8R0.4 OCCCCCCCBr CS13415 [0,1,0,0,0,0|0,0,2]=3 27 B8R0.4 OCCCNCCCO CS21826 [0,1,0,0,0,0|1,0,1]=3 28 B8R0.6 CCCCCC(O)CCl MC114490 [0,1,0,0,0,0|1,0,2]=4 29 B8R0.6 CCCCNC(=O)CCl CS11766 [0,1,0,0,0,0|3,0,0]=4 30 B8R0.6 OCCCCC(O)CO MC41917 [0,1,0,0,0,0|1,0,2]=4 31 B8R0.6 OCCOCC(O)CO MC112470 [0,1,0,0,0,0|2,0,1]=4 32 B8R0.7 CCCCCCB(O)O MC31067 [0,1,0,0,0,0|1,0,2]=4 33 B8R1.2 BrCC1=CCCCC1 MC103521 [0,0,0,1,0,0|2,0,0]=3 34 B8R1.2 BrCC1CCCCC1 CS19887 [0,0,0,1,0,0|1,0,2]=4 35 B8R1.2 BrCC1CCCOC1 MC102393 [0,0,0,1,0,0|2,0,1]=4 36 B8R1.2 C=CC1CC=CCC1 MC115110 [0,0,0,1,0,0|1,0,1]=3 37 B8R1.2 CCC1CNCCO1 MC444035 [0,0,0,1,0,0|1,0,2]=4 38 B8R1.2 CCC1CNCCO1 MC444058 [0,0,0,1,0,0|1,0,2]=4 39 B8R1.2 CCC1CNCCO1 MC444187 [0,0,0,1,0,0|1,0,2]=4 40 B8R1.2 ICC1CCOCC1 MC31010 [0,0,0,1,0,0|2,0,1]=4 41 B8R1.2 NCC1CCCCC1 MC20908 [0,0,0,1,0,0|1,0,2]=4 42 B8R1.2 NCC1CCCOC1 CS18439 [0,0,0,1,0,0|2,0,1]=4 43 B8R1.2 NCC1CCCOC1 MC105501 [0,0,0,1,0,0|2,0,1]=4 44 B8R1.2 NCC1CCCOC1 MC105502 [0,0,0,1,0,0|2,0,1]=4 45 B8R1.2 NCC1CCOCC1 CS18584 [0,0,0,1,0,0|2,0,1]=4 46 B8R1.2 NCC1CCSCC1 MC102976 [0,0,0,1,0,0|2,0,1]=4 47 B8R1.2 NCC1CCSCC1 MC111187 [0,0,0,1,0,0|2,0,1]=4 48 B8R1.2 OCC1CCC=CO1 MC20505 [0,0,0,1,0,0|1,0,0]=2 49 B8R1.2 OCC1CCCCC1 MC20144 [0,0,0,1,0,0|0,0,2]=3 50 B8R1.2 OCC1CCCCN1 CS21780 [0,0,0,1,0,0|1,0,2]=4 51 B8R1.2 OCC1CCCNC1 CS15958 [0,0,0,1,0,0|1,0,1]=3 52 B8R1.2 OCC1CCCNC1 CS22817 [0,0,0,1,0,0|1,0,1]=3 53 B8R1.2 OCC1CCCOC1 MC31058 [0,0,0,1,0,0|1,0,1]=3 54 B8R1.2 OCC1CCNCC1 CS22819 [0,0,0,1,0,0|1,0,1]=3 55 B8R1.2 OCC1CCOCC1 CS18741 [0,0,0,1,0,0|1,0,1]=3 56 B8R1.2 OCC1CNCCO1 CS14518 [0,0,0,1,0,0|2,0,1]=4 57 B8R1.2 OCC1CNCCO1 CS15145 [0,0,0,1,0,0|2,0,1]=4 58 B8R1.2 OCC1CNCCO1 CS15312 [0,0,0,1,0,0|2,0,1]=4 59 B8R1.2 OCC1COCCN1 CS15269 [0,0,0,1,0,0|2,0,1]=4 60 B8R1.2 OCC1COCCN1 CS15280 [0,0,0,1,0,0|2,0,1]=4 61 B8R1.2 OCC1COCCN1 MC106628 [0,0,0,1,0,0|2,0,1]=4 62 B8R1.2 OCC1COCCN1 MC115923 [0,0,0,1,0,0|2,0,1]=4 63 B8R1.2 OCC1COCCN1 MC444278 [0,0,0,1,0,0|2,0,1]=4 64 B8R1.2 OCC1COCCO1 MC107175 [0,0,0,1,0,0|2,0,1]=4 65 B8R1.2 OCC1COCCO1 MC107176 [0,0,0,1,0,0|2,0,1]=4 66 B8R1.5 CC1CCNCC1O MC103744 [0,0,0,1,0,0|1,0,2]=4 67 B8R1.5 CC1CCNCC1O MC103745 [0,0,0,1,0,0|1,0,2]=4 68 B8R1.5 CC1CCNCC1O MC105563 [0,0,0,1,0,0|1,0,2]=4 69 B8R1.5 CC1CCNCC1O MC105564 [0,0,0,1,0,0|1,0,2]=4 70 B8R1.5 CC1CCNCC1O MC444275 [0,0,0,1,0,0|1,0,2]=4 71 B8R1.5 CC1COCCC1N MC100869 [0,0,0,1,0,0|2,0,1]=4 72 B8R1.5 CC1COCCC1N MC104730 [0,0,0,1,0,0|2,0,1]=4 73 B8R1.5 NC1CCCCC1O CS12403 [0,0,0,1,0,0|1,0,2]=4 74 B8R1.5 NC1CCCCC1O CS12547 [0,0,0,1,0,0|1,0,2]=4 75 B8R1.5 NC1CCCCC1O CS12548 [0,0,0,1,0,0|1,0,2]=4 76 B8R1.5 NC1CCCCC1O CS14928 [0,0,0,1,0,0|1,0,2]=4 77 B8R1.5 NC1CCCCC1O CS18590 [0,0,0,1,0,0|1,0,2]=4 78 B8R1.5 NC1CCCCC1O MC20710 [0,0,0,1,0,0|1,0,2]=4 79 B8R1.5 NC1CCCCC1O MC20824 [0,0,0,1,0,0|1,0,2]=4 80 B8R1.5 NC1COCCC1O MC427129 [0,0,0,1,0,0|2,0,1]=4 81 B8R1.5 OC1CCCCC1F MC107093 [0,0,0,1,0,0|1,0,2]=4 82 B8R1.5 OC1CCCCC1O CS12029 [0,0,0,1,0,0|1,0,2]=4 83 B8R1.5 OC1CCNCC1F MC101962 [0,0,0,1,0,0|2,0,1]=4 84 B8R1.5 OC1CCNCC1F MC103718 [0,0,0,1,0,0|2,0,1]=4 85 B8R1.5 OC1CCNCC1O MC101991 [0,0,0,1,0,0|2,0,1]=4 86 B8R1.5 OC1CCNCC1O MC111756 [0,0,0,1,0,0|2,0,1]=4 87 B8R1.5 OC1CCNCC1O MC116420 [0,0,0,1,0,0|2,0,1]=4 88 B8R1.8 ICCC1CCCC1 MC106254 [0,0,0,1,0,0|1,0,2]=4 89 B8R1.8 NCCC1CCCC1 CS15909 [0,0,0,1,0,0|1,0,2]=4 90 B8R1.8 OCCC1=CC=CS1 CS14939 [0,0,0,1,0,0|1,0,2]=4 91 B8R1.8 OCCC1=CSC=C1 CS20858 [0,0,0,1,0,0|1,0,2]=4 92 B8R1.8 OCCC1CCCN1 MC103847 [0,0,0,1,0,0|1,0,1]=3 93 B8R1.8 OCCC1CCCN1 MC106622 [0,0,0,1,0,0|1,0,1]=3 94 B8R1.8 OCCN1C=CN=C1 CS18191 [0,0,0,1,0,0|2,0,1]=4 95 B8R1.10 OCCOC1CCC1 MC121362 [0,0,0,1,0,0|1,0,2]=4 96 B8R1.11 CN1C=CN=C1CO CS13833 [0,0,0,1,0,0|2,0,1]=4 97 B8R1.11 CN1CCCC1CO CS14186 [0,0,0,1,0,0|1,0,2]=4 98 B8R1.11 CN1CCCC1CO CS22816 [0,0,0,1,0,0|1,0,2]=4 99 B8R1.22 FC1CCCNCC1 MC103919 [0,0,0,1,0,0|2,0,1]=4 100 B8R1.49 C1=CCCC=CCC1 CS14877 [0,0,0,1,0,0|1,0,1]=3 101 B8R1.49 C1=CCCC=CCC1 MC115088 [0,0,0,1,0,0|1,0,1]=3 102 B8R1.49 C1=CCCC=CCC1 MC444943 [0,0,0,1,0,0|1,0,1]=3 103 B8R1.49 C1=CCCC=CCC1 MC444983 [0,0,0,1,0,0|1,0,1]=3 104 B8R1.49 C1=CCCC=CCC1 MC444992 [0,0,0,1,0,0|1,0,1]=3 105 B8R1.49 C1=CCCC=CCC1 MC444993 [0,0,0,1,0,0|1,0,1]=3 106 B8R1.49 C1=CCCC=CCC1 MC444996 [0,0,0,1,0,0|1,0,1]=3 107 B8R1.49 C1=CCCC=CCC1 MC444997 [0,0,0,1,0,0|1,0,1]=3 108 B8R1.49 C1=CCCC=CCC1 MC444998 [0,0,0,1,0,0|1,0,1]=3 109 B8R1.49 C1=CCCC=CCC1 MC445003 [0,0,0,1,0,0|1,0,1]=3 110 B8R1.49 C1=CCCC=CCC1 MC445012 [0,0,0,1,0,0|1,0,1]=3 111 B8R1.49 C1=CCCCCCC1 MC445004 [0,0,0,1,0,0|1,0,0]=2 112 B5R0.2 BrCCCCBr MC41885 [2,0,0,0,0,0|2,0,0]=4 113 B5R0.2 C#C\C=C\CO MC428290 [2,0,0,0,0,0|0,0,2]=4 114 B5R0.2 C=CCCON MC110761 [2,0,0,0,0,0|2,0,0]=4 115 B5R0.2 C=CCC[Zn]Br MC121337 [2,0,0,0,0,0|2,0,0]=4 116 B5R0.2 CCCCCBr CS20657 [2,0,0,0,0,0|1,0,0]=3 117 B5R0.2 CCCC[Zn]Br MC121334 [2,0,0,0,0,0|2,0,0]=4 118 B5R0.2 CCOCCBr CS21396 [2,0,0,0,0,0|2,0,0]=4 119 B5R0.2 CCOCCCl MC428008 [2,0,0,0,0,0|2,0,0]=4 120 B5R0.2 CNCCCO CS14200 [2,0,0,0,0,0|1,0,0]=3 121 B5R0.2 COCCCBr CS20649 [2,0,0,0,0,0|2,0,0]=4 122 B5R0.2 COCCCO CS20039 [2,0,0,0,0,0|1,0,0]=3 123 B5R0.2 C\C=C\C[Pd]Cl MC444919 [2,0,0,0,0,0|2,0,0]=4 124 B5R0.2 ClC\C=C\CCl MC10276 [2,0,0,0,0,0|2,0,0]=4 125 B5R0.2 ClC\C=C\CCl MC10277 [2,0,0,0,0,0|2,0,0]=4 126 B5R0.2 NCCCCBr CS14979 [2,0,0,0,0,0|2,0,0]=4 127 B5R0.2 NCCCCN CS19906 [2,0,0,0,0,0|2,0,0]=4 128 B5R0.2 OC\C=C\CCl MC10262 [2,0,0,0,0,0|1,0,0]=3 129 B5R0.2 OC\C=C\CO MC41968 [2,0,0,0,0,0|1,0,0]=3 130 B5R0.2 OC\C=C\CO MC424009 [2,0,0,0,0,0|1,0,0]=3 131 B7R0.3 CCC(O)CCCO MC116029 [1,1,0,0,0,0|0,0,1]=3 132 B7R0.3 COC(=O)CCCBr MC427387 [1,1,0,0,0,0|2,0,0]=4 133 B7R0.3 COC(=O)CCCN MC439309 [1,1,0,0,0,0|2,0,0]=4 134 B7R0.3 CSCCC(N)CO MC437961 [1,1,0,0,0,0|1,0,1]=4 135 B7R0.4 CC(=O)CCCCBr CS10627 [1,1,0,0,0,0|1,0,1]=4 136 B7R0.4 CC(O)CCCCO MC112436 [1,1,0,0,0,0|0,0,1]=3 137 B7R0.4 CCCCCB(O)O CS22305 [1,1,0,0,0,0|1,0,1]=4 138 B7R0.4 CCCCCC(C)O CS21570 [1,1,0,0,0,0|0,0,1]=3 139 B7R0.4 CCC\C=C\C(C)=O MC20875 [1,1,0,0,0,0|0,0,1]=3 140 B7R0.4 CN(C)CCCCO CS22813 [1,1,0,0,0,0|1,0,1]=4 141 B7R0.7 CCCC(N)CCO CS16692 [1,1,0,0,0,0|0,0,1]=3 142 B7R0.7 CCOC(=O)CCN CS14330 [1,1,0,0,0,0|2,0,0]=4 143 B7R0.7 CCOC(=O)CNC CS17068 [1,1,0,0,0,0|2,0,0]=4 144 B7R0.7 CCOC(=O)COC CS11389 [1,1,0,0,0,0|2,0,0]=4 145 B9R0.5 CCCCCC(C)CCO MC112328 [0,2,0,0,0,0|0,0,2]=4 146 B9R0.5 CCOC(=O)CCCCBr CS13726 [0,2,0,0,0,0|1,0,1]=4 147 B9R0.5 CCOC(=O)CCCCN CS14354 [0,2,0,0,0,0|1,0,1]=4 148 B9R0.5 CCOC(=O)CNCCN MC436180 [0,2,0,0,0,0|2,0,0]=4 149 B9R0.18 O=C(CCCCl)CCCCl CS14305 [0,2,0,0,0,0|1,0,1]=4 150 B9R0.35 CCCC(N)C(=O)OCC MC439184 [0,2,0,0,0,0|2,0,0]=4 151 B9R0.48 CCOC(=O)CCC(=O)O CS11693 [0,2,0,0,0,0|1,0,1]=4 152 B9R0.2 CCCSCCCC(=O)O MC112372 [0,2,0,0,0,0|1,0,1]=4 153 B9R0.45 C#CCCCCCCCO MC424005 [0,2,0,0,0,0|0,0,2]=4 154 B9R0.45 OCCCCCCCCBr CS14609 [0,2,0,0,0,0|0,0,2]=4 155 B9R0.45 OCCCCCCCCO CS20567 [0,2,0,0,0,0|0,0,2]=4 156 B9R0.45 OCCOCCOCCO CS20932 [0,2,0,0,0,0|1,0,1]=4 157 B9R0.47 CCCCOC(=O)C(C)N CS15628 [0,2,0,0,0,0|2,0,0]=4 158 B9R0.47 NC\C=C\CC(N)C(=O)O MC436933 [0,2,0,0,0,0|1,0,1]=4 159 B7R1.1 BrCC1CCCC1 MC20145 [1,0,0,1,0,0|1,0,1]=4 160 B7R1.1 BrCC1CCCO1 MC106365 [1,0,0,1,0,0|1,0,1]=4 161 B7R1.1 CCC1CCCN1 MC110951 [1,0,0,1,0,0|1,0,1]=4 162 B7R1.1 COC1=NCCC1 CS10423 [1,0,0,1,0,0|2,0,0]=4 163 B7R1.1 FCC1CCNC1 MC103199 [1,0,0,1,0,0|2,0,0]=4 164 B7R1.1 NCC1CCCC1 CS14873 [1,0,0,1,0,0|1,0,1]=4 165 B7R1.1 NCC1CCNC1 MC431426 [1,0,0,1,0,0|2,0,0]=4 166 B7R1.1 NCC1CCOC1 MC102307 [1,0,0,1,0,0|2,0,0]=4 167 B7R1.1 NCC1CCOC1 MC103862 [1,0,0,1,0,0|2,0,0]=4 168 B7R1.1 NCC1CCOC1 MC115675 [1,0,0,1,0,0|2,0,0]=4 169 B7R1.1 NCC1CCOC1 MC121256 [1,0,0,1,0,0|2,0,0]=4 170 B7R1.1 O=CC1=CCCC1 CS12865 [1,0,0,1,0,0|1,0,1]=4 171 B7R1.1 OCC1CC=CC1 CS20734 [1,0,0,1,0,0|0,0,0]=2 172 B7R1.1 OCC1CCCC1 CS11185 [1,0,0,1,0,0|0,0,1]=3 173 B7R1.1 OCC1CCCN1 CS17003 [1,0,0,1,0,0|1,0,1]=4 174 B7R1.1 OCC1CCCN1 CS22640 [1,0,0,1,0,0|1,0,1]=4 175 B7R1.1 OCC1CCCO1 MC20392 [1,0,0,1,0,0|1,0,1]=4 176 B7R1.1 OCC1CCNC1 CS11284 [1,0,0,1,0,0|1,0,0]=3 177 B7R1.1 OCC1CCNC1 CS16764 [1,0,0,1,0,0|1,0,0]=3 178 B7R1.1 OCC1CCNC1 CS18341 [1,0,0,1,0,0|1,0,0]=3 179 B7R1.1 OCC1CCNC1 MC102405 [1,0,0,1,0,0|1,0,0]=3 180 B7R1.1 OCC1CCNC1 MC115660 [1,0,0,1,0,0|1,0,0]=3 181 B7R1.1 OCC1CCOC1 MC113000 [1,0,0,1,0,0|1,0,0]=3 182 B7R1.1 OCC1CCOC1 MC113001 [1,0,0,1,0,0|1,0,0]=3 183 B7R1.1 OCC1CCOC1 MC427704 [1,0,0,1,0,0|1,0,0]=3 184 B7R1.3 BrC1CCCCC1 CS11079 [1,0,0,1,0,0|1,0,1]=4 185 B7R1.3 BrC1CCNCC1 CS18356 [1,0,0,1,0,0|2,0,0]=4 186 B7R1.3 BrC1CCOCC1 CS18193 [1,0,0,1,0,0|2,0,0]=4 187 B7R1.3 CC1CCCCN1 MC20418 [1,0,0,1,0,0|1,0,1]=4 188 B7R1.3 CC1CCCNC1 CS16133 [1,0,0,1,0,0|1,0,1]=4 189 B7R1.3 CC1CCCNC1 MC425227 [1,0,0,1,0,0|1,0,1]=4 190 B7R1.3 CC1CNCCO1 CS14515 [1,0,0,1,0,0|1,0,1]=4 191 B7R1.3 CC1CNCCO1 CS14521 [1,0,0,1,0,0|1,0,1]=4 192 B7R1.3 CC1CNCCO1 CS19299 [1,0,0,1,0,0|1,0,1]=4 193 B7R1.3 CC1CNCCO1 CS21692 [1,0,0,1,0,0|1,0,1]=4 194 B7R1.3 CC1CNCCO1 MC444038 [1,0,0,1,0,0|1,0,1]=4 195 B7R1.3 CC1CNCCO1 MC444192 [1,0,0,1,0,0|1,0,1]=4 196 B7R1.3 CN1CC=CCC1 CS20742 [1,0,0,1,0,0|1,0,0]=3 197 B7R1.3 ClC1CCNCC1 CS16938 [1,0,0,1,0,0|2,0,0]=4 198 B7R1.3 FC1CCNCC1 CS22845 [1,0,0,1,0,0|2,0,0]=4 199 B7R1.3 IC1CCOCC1 CS18194 [1,0,0,1,0,0|2,0,0]=4 200 B7R1.3 NC1CCOCC1 CS16997 [1,0,0,1,0,0|2,0,0]=4 201 B7R1.3 NC1CCOCC1 CS18985 [1,0,0,1,0,0|2,0,0]=4 202 B7R1.3 O=C1C=CCCC1 MC41883 [1,0,0,1,0,0|1,0,1]=4 203 B7R1.3 O=C1CCCCO1 CS11208 [1,0,0,1,0,0|1,0,1]=4 204 B7R1.3 OC1CCCNC1 CS17016 [1,0,0,1,0,0|1,0,1]=4 205 B7R1.3 OC1CCCNC1 CS17020 [1,0,0,1,0,0|1,0,1]=4 206 B7R1.3 OC1CCCNC1 CS22642 [1,0,0,1,0,0|1,0,1]=4 207 B7R1.3 OC1CCCOC1 CS17782 [1,0,0,1,0,0|1,0,1]=4 208 B7R1.3 OC1CCNCC1 CS14900 [1,0,0,1,0,0|1,0,0]=3 209 B7R1.3 OC1CCNCC1 CS22643 [1,0,0,1,0,0|1,0,0]=3 210 B7R1.3 OC1CCOCC1 CS13929 [1,0,0,1,0,0|1,0,0]=3 211 B7R1.3 OC1CCSCC1 CS12012 [1,0,0,1,0,0|1,0,0]=3 212 B7R1.3 SC1CCOCC1 MC107026 [1,0,0,1,0,0|1,1,0]=4 213 B7R1.4 NC1CCCC1O CS11147 [1,0,0,1,0,0|1,0,1]=4 214 B7R1.4 NC1CCCC1O CS15594 [1,0,0,1,0,0|1,0,1]=4 215 B7R1.4 NC1CCCC1O CS18884 [1,0,0,1,0,0|1,0,1]=4 216 B7R1.4 NC1CCCC1O CS19404 [1,0,0,1,0,0|1,0,1]=4 217 B7R1.4 O=C1NCCC1O CS19486 [1,0,0,1,0,0|2,0,0]=4 218 B7R1.4 O=C1NCCC1O MC115910 [1,0,0,1,0,0|2,0,0]=4 219 B7R1.4 O=C1NCCC1O MC444274 [1,0,0,1,0,0|2,0,0]=4 220 B7R1.6 COC=C1COC1 MC113188 [1,0,0,1,0,0|2,0,0]=4 221 B7R1.6 OCCN1CCC1 MC106862 [1,0,0,1,0,0|1,0,1]=4 222 B7R1.7 C=CCCC1CO1 MC42008 [1,0,0,1,0,0|0,0,2]=4 223 B7R1.8 O=C1CCC1CO MC104211 [1,0,0,1,0,0|1,0,1]=4 224 B7R1.8 O=C1CCC1CO MC104212 [1,0,0,1,0,0|1,0,1]=4 225 B7R1.8 O=C1CCC1CO MC104213 [1,0,0,1,0,0|1,0,1]=4 226 B7R1.24 C1CNCCNC1 MC31155 [1,0,0,1,0,0|2,0,0]=4 227 B7R1.24 C1CNCCOC1 CS17007 [1,0,0,1,0,0|1,0,0]=3 228 B9R1.2 CC1CCCC(CO)N1 MC104326 [0,1,0,1,0,0|0,0,2]=4 229 B9R1.2 CN1CCCC(CO)C1 MC425692 [0,1,0,1,0,0|1,0,1]=4 230 B9R1.2 NCC1CCNC(=O)C1 MC101902 [0,1,0,1,0,0|2,0,0]=4 231 B9R1.2 NCC1CCNC(=O)C1 MC102333 [0,1,0,1,0,0|2,0,0]=4 232 B9R1.2 O=C1CC(CO)CCN1 MC444199 [0,1,0,1,0,0|1,0,0]=3 233 B9R1.7 CN1CCC(CCO)C1 MC102377 [0,1,0,1,0,0|1,0,1]=4 234 B9R1.8 OCCC1CCCCN1 CS13732 [0,1,0,1,0,0|0,0,2]=4 235 B9R1.8 OCCC1CCCCN1 CS17564 [0,1,0,1,0,0|0,0,2]=4 236 B9R1.8 OCCC1CCCCN1 MC445188 [0,1,0,1,0,0|0,0,2]=4 237 B9R1.8 OCCC1CNCCN1 CS16449 [0,1,0,1,0,0|1,0,1]=4 238 B9R1.8 OCCC1CNCCN1 CS16450 [0,1,0,1,0,0|1,0,1]=4 239 B9R1.8 OCCC1CNCCN1 MC113929 [0,1,0,1,0,0|1,0,1]=4 240 B9R1.8 OCCC1CNCCO1 MC107498 [0,1,0,1,0,0|1,0,1]=4 241 B9R1.8 OCCN1CCNCC1 CS13442 [0,1,0,1,0,0|1,0,1]=4 242 B9R1.8 OCCN1CCOCC1 CS11708 [0,1,0,1,0,0|1,0,1]=4 243 B9R1.8 OCCN1CCSCC1 CS18622 [0,1,0,1,0,0|1,0,1]=4 244 B9R1.12 OCCCC1=CN=CN1 MC443843 [0,1,0,1,0,0|1,0,1]=4 245 B9R1.15 CN1CCCCC1CO CS16091 [0,1,0,1,0,0|0,0,2]=4 246 B9R1.15 CN1CCCCC1CO CS16092 [0,1,0,1,0,0|0,0,2]=4 247 B9R1.15 CN1CCCCC1CO CS18858 [0,1,0,1,0,0|0,0,2]=4 248 B9R1.15 OCC1CCNCC1F MC121266 [0,1,0,1,0,0|1,0,1]=4 249 B9R1.33 CN1C=CC=C1CCO MC106498 [0,1,0,1,0,0|0,0,2]=4 250 B9R1.49 CN1CCCC(O)CC1 CS13879 [0,1,0,1,0,0|1,0,1]=4 251 B9R1.50 O=C1CCCCCCN1 CS21316 [0,1,0,1,0,0|2,0,0]=4 252 B9R1.73 CCOC(=O)C1CCC1 MC41840 [0,1,0,1,0,0|2,0,0]=4 253 B9R1.183 CCOC(=O)C1CC1Br MC430633 [0,1,0,1,0,0|2,0,0]=4 254 B9R1.183 CCOC(=O)C1CC1F MC425315 [0,1,0,1,0,0|2,0,0]=4 255 B9R1.17 OCCCOC1COC1 MC112091 [0,1,0,1,0,0|1,0,1]=4 256 B9R1.89 COC1CCCNCC1 MC101899 [0,1,0,1,0,0|1,0,1]=4 257 B9R1.89 OCC1CCCCNC1 MC105285 [0,1,0,1,0,0|0,0,2]=4 258 B9R1.1 CN1CCC(CO)CC1 CS19632 [0,1,0,1,0,0|1,0,1]=4 259 B9R1.1 NC1CCC(CO)CC1 MC425647 [0,1,0,1,0,0|0,0,2]=4 260 B9R1.1 NCC1CCC(=O)NC1 MC101985 [0,1,0,1,0,0|2,0,0]=4 261 B9R1.11 COC(=O)C1=CCCC1 CS18911 [0,1,0,1,0,0|2,0,0]=4 262 B9R1.118 CC1(CO)CCCNC1 MC444219 [0,1,0,1,0,0|1,0,1]=4 263 B9R1.118 CC1(CO)CCNCC1 CS12640 [0,1,0,1,0,0|1,0,1]=4 264 B9R1.118 NC1(CO)CCOCC1 MC444316 [0,1,0,1,0,0|1,0,1]=4 265 B9R1.118 NC1(CO)CCOCC1 MC444317 [0,1,0,1,0,0|1,0,1]=4 266 B9R1.118 OCC1(O)CCNCC1 MC429078 [0,1,0,1,0,0|1,0,1]=4 267 B9R1.118 OCC1(O)CCNCC1 MC444352 [0,1,0,1,0,0|1,0,1]=4 268 B9R1.132 CN1C(=O)CCC1CO MC102373 [0,1,0,1,0,0|1,0,1]=4 269 B9R1.6 CC(=O)C1CC=CCC1 MC430669 [0,1,0,1,0,0|0,0,2]=4 270 B9R1.6 O=C(O)C1CC=CCC1 MC20590 [0,1,0,1,0,0|0,0,1]=3 271 B9R1.6 O=C(O)C1CC=CCC1 MC20996 [0,1,0,1,0,0|0,0,1]=3 272 B9R1.40 CC1(C)CNCCC1O CS12106 [0,1,0,1,0,0|1,0,1]=4 273 B9R2.53 OC1C2CNCC1C2 MC102420 [0,0,0,2,0,0|1,0,1]=4 274 B9R2.53 OC1C2CNCC1C2 MC104428 [0,0,0,2,0,0|1,0,1]=4 275 B9R2.56 OCC12CNCC1C2 MC102107 [0,0,0,2,0,0|1,0,1]=4 276 B9R2.56 OCC12CNCC1C2 MC104737 [0,0,0,2,0,0|1,0,1]=4 277 B9R2.65 OCC1C2CNCC12 MC104303 [0,0,0,2,0,0|1,0,1]=4 278 B9R2.65 OCC1C2CNCC12 MC444495 [0,0,0,2,0,0|1,0,1]=4 279 B9R2.68 C1=CC2CCC(C1)N2 MC107768 [0,0,0,2,0,0|2,0,0]=4 280 B9R2.39 OC1CC2CC1CN2 MC104240 [0,0,0,2,0,0|1,0,1]=4 281 B9R2.39 OC1CC2CCC1N2 MC105311 [0,0,0,2,0,0|1,0,1]=4 282 B9R2.39 OC1CC2CCC1N2 MC105312 [0,0,0,2,0,0|1,0,1]=4 283 B9R2.39 OC1CC2CNC1C2 MC104241 [0,0,0,2,0,0|1,0,1]=4 284 B9R2.39 OC1CC2CNC1C2 MC104242 [0,0,0,2,0,0|1,0,1]=4 285 B9R2.3 C1CC2CNCC2O1 MC105099 [0,0,0,2,0,0|1,0,1]=4 286 B9R2.3 C1NCC2COCC12 MC103726 [0,0,0,2,0,0|1,0,1]=4 287 B9R2.173 C1CC2(CCO2)CN1 MC102909 [0,0,0,2,0,0|1,0,1]=4 288 B9R2.173 C1CC2(CCO2)CN1 MC103911 [0,0,0,2,0,0|1,0,1]=4 289 B9R2.173 C1CC2(CCO2)CN1 MC444133 [0,0,0,2,0,0|1,0,1]=4 290 B9R2.28 OCCC1CC12CC2 MC102557 [0,0,0,2,0,0|0,0,2]=4