0 B6R1.2 BrC1=CCCC1 Amb10067271 [0,0,0,0,0,0|2,0,1]=3 1 B6R1.2 BrC1=CCCO1 Amb24322605 [0,0,0,0,0,0|3,0,1]=4 2 B6R1.2 BrC1=COCC1 Amb24322594 [0,0,0,0,0,0|1,1,1]=3 3 B6R1.2 BrC1=NCCN1 Amb28382662 [0,0,0,0,0,0|4,0,0]=4 4 B6R1.2 BrC1=NCCS1 Amb25987679 [0,0,0,0,0,0|4,0,0]=4 5 B6R1.2 BrC1CC=CC1 Amb25811243 [0,0,0,0,0,0|2,0,2]=4 6 B6R1.2 BrC1CCCC1 Amb2686651 [0,0,0,0,0,0|2,0,1]=3 7 B6R1.2 BrC1CCCO1 Amb24322808 [0,0,0,0,0,0|3,0,1]=4 8 B6R1.2 BrC1CCNC1 Amb10608920 [0,0,0,0,0,0|2,0,1]=3 9 B6R1.2 BrC1CCNC1 Amb19958764 [0,0,0,0,0,0|2,0,1]=3 10 B6R1.2 BrC1CCNC1 Amb22229239 [0,0,0,0,0,0|2,0,1]=3 11 B6R1.2 BrC1CCOC1 Amb19957943 [0,0,0,0,0,0|1,1,1]=3 12 B6R1.2 BrC1CCSC1 Amb20413646 [0,0,0,0,0,0|1,0,1]=2 13 B6R1.2 Br[C@@H]1CCNC1 Amb22225312 [0,0,0,0,0,0|2,0,1]=3 14 B6R1.2 Br[C@@H]1CCNC1 Amb22225313 [0,0,0,0,0,0|2,0,1]=3 15 B6R1.2 Br[C@H]1CCNC1 Amb22226659 [0,0,0,0,0,0|2,0,1]=3 16 B6R1.2 Br[C@H]1CCNC1 Amb22226660 [0,0,0,0,0,0|2,0,1]=3 17 B6R1.2 Brc1ccsc1 Amb2685505 [0,0,0,0,0,0|1,0,3]=4 18 B6R1.2 Brc1ccsn1 Amb18828880 [0,0,0,0,0,0|2,0,2]=4 19 B6R1.2 Brc1cnsc1 Amb1091886 [0,0,0,0,0,0|2,0,2]=4 20 B6R1.2 Brc1cnsn1 Amb18199655 [0,0,0,0,0,0|3,0,1]=4 21 B6R1.2 Brc1cscn1 Amb2447456 [0,0,0,0,0,0|2,0,2]=4 22 B6R1.2 Brc1csnn1 Amb18199663 [0,0,0,0,0,0|3,0,1]=4 23 B6R1.2 Brc1ncsn1 Amb18828633 [0,0,0,0,0,0|3,0,1]=4 24 B6R1.2 C=C1CCCC1 Amb22337671 [0,0,0,0,0,0|2,0,0]=2 25 B6R1.2 C=C1CCCS1 Amb28137153 [0,0,0,0,0,0|3,0,0]=3 26 B6R1.2 C=C1CCNC1 Amb22490848 [0,0,0,0,0,0|2,0,0]=2 27 B6R1.2 C=C1CCNC1 Amb27782898 [0,0,0,0,0,0|2,0,0]=2 28 B6R1.2 C=C1CCSC1 Amb26477950 [0,0,0,0,0,0|1,0,0]=1 29 B6R1.2 C=C1CNOC1 Amb31156059 [0,0,0,0,0,0|2,1,0]=3 30 B6R1.2 C=C1CNOC1 Amb33309622 [0,0,0,0,0,0|2,1,0]=3 31 B6R1.2 C=C1N=CCS1 Amb27796505 [0,0,0,0,0,0|4,0,0]=4 32 B6R1.2 C=C1OCCO1 Amb24477046 [0,0,0,0,0,0|4,0,0]=4 33 B6R1.2 CC1=CC=CC1 Amb26338978 [0,0,0,0,0,0|2,0,2]=4 34 B6R1.2 CC1=CCCC1 Amb8513250 [0,0,0,0,0,0|2,0,1]=3 35 B6R1.2 CC1=CCCO1 Amb20621083 [0,0,0,0,0,0|3,0,1]=4 36 B6R1.2 CC1=CSCC1 Amb26495749 [0,0,0,0,0,0|1,0,1]=2 37 B6R1.2 CC1=NCCC1 Amb8513341 [0,0,0,0,0,0|3,0,0]=3 38 B6R1.2 CC1=NCCN1 Amb1294344 [0,0,0,0,0,0|4,0,0]=4 39 B6R1.2 CC1=NCCO1 Amb8395082 [0,0,0,0,0,0|4,0,0]=4 40 B6R1.2 CC1=NCCS1 Amb6608778 [0,0,0,0,0,0|4,0,0]=4 41 B6R1.2 CC1=NNCC1 Amb8492492 [0,0,0,0,0,0|3,0,0]=3 42 B6R1.2 CC1=NOCN1 Amb27262288 [0,0,0,0,0,0|3,1,0]=4 43 B6R1.2 CC1C=CCC1 Amb17674168 [0,0,0,0,0,0|2,0,2]=4 44 B6R1.2 CC1CC=CC1 Amb27492739 [0,0,0,0,0,0|2,0,2]=4 45 B6R1.2 CC1CCCC1 Amb8516028 [0,0,0,0,0,0|2,0,1]=3 46 B6R1.2 CC1CCCN1 Amb8387002 [0,0,0,0,0,0|3,0,1]=4 47 B6R1.2 CC1CCCN1 Amb9713910 [0,0,0,0,0,0|3,0,1]=4 48 B6R1.2 CC1CCCO1 Amb8385612 [0,0,0,0,0,0|3,0,1]=4 49 B6R1.2 CC1CCCS1 Amb2689709 [0,0,0,0,0,0|3,0,1]=4 50 B6R1.2 CC1CCC[Cl+]1 Amb27233495 [0,0,0,0,0,0|3,0,1]=4 51 B6R1.2 CC1CCNC1 Amb15690616 [0,0,0,0,0,0|2,0,1]=3 52 B6R1.2 CC1CCNC1 Amb8630788 [0,0,0,0,0,0|2,0,1]=3 53 B6R1.2 CC1CCNO1 Amb27209819 [0,0,0,0,0,0|3,0,1]=4 54 B6R1.2 CC1CCOC1 Amb4418362 [0,0,0,0,0,0|1,1,1]=3 55 B6R1.2 CC1CCON1 Amb27793876 [0,0,0,0,0,0|2,1,1]=4 56 B6R1.2 CC1CCSC1 Amb20621725 [0,0,0,0,0,0|1,0,1]=2 57 B6R1.2 CC1CNCO1 Amb25934148 [0,0,0,0,0,0|3,0,1]=4 58 B6R1.2 CC1CNCS1 Amb27185493 [0,0,0,0,0,0|3,0,1]=4 59 B6R1.2 CC1CNCS1 Amb33330411 [0,0,0,0,0,0|3,0,1]=4 60 B6R1.2 CC1CNOC1 Amb30526860 [0,0,0,0,0,0|2,1,1]=4 61 B6R1.2 CC1COCN1 Amb17506155 [0,0,0,0,0,0|2,1,1]=4 62 B6R1.2 CC1CSCN1 Amb24550471 [0,0,0,0,0,0|2,0,1]=3 63 B6R1.2 CC1CSCN1 Amb33330531 [0,0,0,0,0,0|2,0,1]=3 64 B6R1.2 CC1SCSS1 Amb28315760 [0,0,0,0,0,0|3,0,1]=4 65 B6R1.2 CN1C=NCC1 Amb10565894 [0,0,0,0,0,0|3,0,1]=4 66 B6R1.2 CN1CC=CC1 Amb17938851 [0,0,0,0,0,0|3,0,1]=4 67 B6R1.2 CN1CCCC1 Amb8513261 [0,0,0,0,0,0|3,0,0]=3 68 B6R1.2 CN1CCCN1 Amb28058528 [0,0,0,0,0,0|4,0,0]=4 69 B6R1.2 CN1CCCN1 Amb35826246 [0,0,0,0,0,0|4,0,0]=4 70 B6R1.2 CN1CCNC1 Amb25663131 [0,0,0,0,0,0|3,0,0]=3 71 B6R1.2 CN1CCOC1 Amb25146749 [0,0,0,0,0,0|2,1,0]=3 72 B6R1.2 C[C@@H]1CCCN1 Amb10071006 [0,0,0,0,0,0|3,0,1]=4 73 B6R1.2 C[C@@H]1CCCN1 Amb8628964 [0,0,0,0,0,0|3,0,1]=4 74 B6R1.2 C[C@@H]1CCNC1 Amb19888329 [0,0,0,0,0,0|2,0,1]=3 75 B6R1.2 C[C@@H]1CCNC1 Amb27593574 [0,0,0,0,0,0|2,0,1]=3 76 B6R1.2 C[C@@H]1CNCO1 Amb35788486 [0,0,0,0,0,0|3,0,1]=4 77 B6R1.2 C[C@H]1CCCN1 Amb10071007 [0,0,0,0,0,0|3,0,1]=4 78 B6R1.2 C[C@H]1CCCN1 Amb8387004 [0,0,0,0,0,0|3,0,1]=4 79 B6R1.2 C[C@H]1CCNC1 Amb19887708 [0,0,0,0,0,0|2,0,1]=3 80 B6R1.2 C[C@H]1CNCO1 Amb35788704 [0,0,0,0,0,0|3,0,1]=4 81 B6R1.2 C[C@H]1COCN1 Amb28383154 [0,0,0,0,0,0|2,1,1]=4 82 B6R1.2 Cc1ccsc1 Amb2447071 [0,0,0,0,0,0|1,0,3]=4 83 B6R1.2 Cc1ccsn1 Amb20621563 [0,0,0,0,0,0|2,0,2]=4 84 B6R1.2 Cc1cnsc1 Amb22370679 [0,0,0,0,0,0|2,0,2]=4 85 B6R1.2 Cc1cnsn1 Amb9901751 [0,0,0,0,0,0|3,0,1]=4 86 B6R1.2 Cc1cscn1 Amb1163532 [0,0,0,0,0,0|2,0,2]=4 87 B6R1.2 Cc1csnn1 Amb2722987 [0,0,0,0,0,0|3,0,1]=4 88 B6R1.2 ClC1=CCC=C1 Amb22584067 [0,0,0,0,0,0|2,0,2]=4 89 B6R1.2 ClC1=NCCN1 Amb27624895 [0,0,0,0,0,0|4,0,0]=4 90 B6R1.2 ClC1=NCCO1 Amb8396614 [0,0,0,0,0,0|4,0,0]=4 91 B6R1.2 ClC1=NCCS1 Amb24621482 [0,0,0,0,0,0|4,0,0]=4 92 B6R1.2 ClC1C=CCC1 Amb17672585 [0,0,0,0,0,0|2,0,2]=4 93 B6R1.2 ClC1CC=CC1 Amb27657118 [0,0,0,0,0,0|2,0,2]=4 94 B6R1.2 ClC1CCCC1 Amb3940287 [0,0,0,0,0,0|2,0,1]=3 95 B6R1.2 ClC1CCNC1 Amb18640558 [0,0,0,0,0,0|2,0,1]=3 96 B6R1.2 ClC1CCNC1 Amb22229273 [0,0,0,0,0,0|2,0,1]=3 97 B6R1.2 ClC1CCOC1 Amb20623054 [0,0,0,0,0,0|1,1,1]=3 98 B6R1.2 Cl[C@H]1CCNC1 Amb22226671 [0,0,0,0,0,0|2,0,1]=3 99 B6R1.2 Clc1ccsc1 Amb2686482 [0,0,0,0,0,0|1,0,3]=4 100 B6R1.2 Clc1ccsn1 Amb21927817 [0,0,0,0,0,0|2,0,2]=4 101 B6R1.2 Clc1cnsc1 Amb28049472 [0,0,0,0,0,0|2,0,2]=4 102 B6R1.2 Clc1cnsn1 Amb21837602 [0,0,0,0,0,0|3,0,1]=4 103 B6R1.2 Clc1cscn1 Amb10602719 [0,0,0,0,0,0|2,0,2]=4 104 B6R1.2 Clc1ncsn1 Amb27590046 [0,0,0,0,0,0|3,0,1]=4 105 B6R1.2 FC1=CCNC1 Amb35751388 [0,0,0,0,0,0|2,0,1]=3 106 B6R1.2 FC1=CCNC1 Amb35752602 [0,0,0,0,0,0|2,0,1]=3 107 B6R1.2 FC1=COCC1 Amb24322813 [0,0,0,0,0,0|1,1,1]=3 108 B6R1.2 FC1=NCCS1 Amb26341808 [0,0,0,0,0,0|4,0,0]=4 109 B6R1.2 FC1CCCC1 Amb10839457 [0,0,0,0,0,0|2,0,1]=3 110 B6R1.2 FC1CCCN1 Amb27590475 [0,0,0,0,0,0|3,0,1]=4 111 B6R1.2 FC1CCNC1 Amb19148522 [0,0,0,0,0,0|2,0,1]=3 112 B6R1.2 FC1CCNC1 Amb8010918 [0,0,0,0,0,0|2,0,1]=3 113 B6R1.2 F[C@@H]1CCNC1 Amb10603224 [0,0,0,0,0,0|2,0,1]=3 114 B6R1.2 F[C@@H]1CCNC1 Amb2688413 [0,0,0,0,0,0|2,0,1]=3 115 B6R1.2 F[C@H]1CCNC1 Amb10603273 [0,0,0,0,0,0|2,0,1]=3 116 B6R1.2 F[C@H]1CCNC1 Amb2688414 [0,0,0,0,0,0|2,0,1]=3 117 B6R1.2 Fc1ccsc1 Amb33543454 [0,0,0,0,0,0|1,0,3]=4 118 B6R1.2 IC1=CCCC1 Amb24332192 [0,0,0,0,0,0|2,0,1]=3 119 B6R1.2 IC1=CCCO1 Amb24322816 [0,0,0,0,0,0|3,0,1]=4 120 B6R1.2 IC1=COCC1 Amb24322814 [0,0,0,0,0,0|1,1,1]=3 121 B6R1.2 IC1CCCC1 Amb3941530 [0,0,0,0,0,0|2,0,1]=3 122 B6R1.2 IC1CCNC1 Amb22229333 [0,0,0,0,0,0|2,0,1]=3 123 B6R1.2 IC1CCOC1 Amb9677596 [0,0,0,0,0,0|1,1,1]=3 124 B6R1.2 IC1CCSC1 Amb35704950 [0,0,0,0,0,0|1,0,1]=2 125 B6R1.2 IN1CCCC1 Amb27765883 [0,0,0,0,0,0|3,0,0]=3 126 B6R1.2 I[C@@H]1CCOC1 Amb25337461 [0,0,0,0,0,0|1,1,1]=3 127 B6R1.2 I[C@H]1CCOC1 Amb22405918 [0,0,0,0,0,0|1,1,1]=3 128 B6R1.2 Ic1ccsc1 Amb8393328 [0,0,0,0,0,0|1,0,3]=4 129 B6R1.2 Ic1ccsn1 Amb32685567 [0,0,0,0,0,0|2,0,2]=4 130 B6R1.2 Ic1cnsc1 Amb12805582 [0,0,0,0,0,0|2,0,2]=4 131 B6R1.2 Ic1cscn1 Amb22057367 [0,0,0,0,0,0|2,0,2]=4 132 B6R1.2 Ic1ncsn1 Amb24528198 [0,0,0,0,0,0|3,0,1]=4 133 B6R1.2 N=C1C=CNC1 Amb28135748 [0,0,0,0,0,0|2,0,2]=4 134 B6R1.2 N=C1CCC=N1 Amb28436317 [0,0,0,0,0,0|3,0,0]=3 135 B6R1.2 N=C1CCCN1 Amb2371632 [0,0,0,0,0,0|3,0,0]=3 136 B6R1.2 N=C1CCCN1 Amb501585 [0,0,0,0,0,0|3,0,0]=3 137 B6R1.2 N=C1CCCS1 Amb10072429 [0,0,0,0,0,0|3,0,0]=3 138 B6R1.2 N=C1CCCS1 Amb9825646 [0,0,0,0,0,0|3,0,0]=3 139 B6R1.2 N=C1NCCN1 Amb21859025 [0,0,0,0,0,0|4,0,0]=4 140 B6R1.2 N=C1NCCO1 Amb20623979 [0,0,0,0,0,0|4,0,0]=4 141 B6R1.2 N=C1NCCS1 Amb8470061 [0,0,0,0,0,0|4,0,0]=4 142 B6R1.2 N=C1SCCS1 Amb22168117 [0,0,0,0,0,0|4,0,0]=4 143 B6R1.2 NC1=CCNN1 Amb22346141 [0,0,0,0,0,0|3,0,1]=4 144 B6R1.2 NC1=CCNN1 Amb24053526 [0,0,0,0,0,0|3,0,1]=4 145 B6R1.2 NC1=CCNN1 Amb24080576 [0,0,0,0,0,0|3,0,1]=4 146 B6R1.2 NC1=CCNN1 Amb6889369 [0,0,0,0,0,0|3,0,1]=4 147 B6R1.2 NC1=NCC=C1 Amb25208790 [0,0,0,0,0,0|3,0,1]=4 148 B6R1.2 NC1=NCCC1 Amb10976565 [0,0,0,0,0,0|3,0,0]=3 149 B6R1.2 NC1=NCCC1 Amb8342250 [0,0,0,0,0,0|3,0,0]=3 150 B6R1.2 NC1=NCCN1 Amb10810372 [0,0,0,0,0,0|4,0,0]=4 151 B6R1.2 NC1=NCCO1 Amb24325166 [0,0,0,0,0,0|4,0,0]=4 152 B6R1.2 NC1=NCCS1 Amb1924859 [0,0,0,0,0,0|4,0,0]=4 153 B6R1.2 NC1=NCCS1 Amb2684532 [0,0,0,0,0,0|4,0,0]=4 154 B6R1.2 NC1=NCCS1 Amb6860805 [0,0,0,0,0,0|4,0,0]=4 155 B6R1.2 NC1=NNCC1 Amb22330617 [0,0,0,0,0,0|3,0,0]=3 156 B6R1.2 NC1=NNCC1 Amb28555323 [0,0,0,0,0,0|3,0,0]=3 157 B6R1.2 NC1=NOCC1 Amb27975619 [0,0,0,0,0,0|2,1,0]=3 158 B6R1.2 NC1C=CCC1 Amb23385329 [0,0,0,0,0,0|2,0,2]=4 159 B6R1.2 NC1C=CCC1 Amb26367288 [0,0,0,0,0,0|2,0,2]=4 160 B6R1.2 NC1CC=CC1 Amb18203201 [0,0,0,0,0,0|2,0,2]=4 161 B6R1.2 NC1CC=CC1 Amb2684387 [0,0,0,0,0,0|2,0,2]=4 162 B6R1.2 NC1CCCC1 Amb2792832 [0,0,0,0,0,0|2,0,1]=3 163 B6R1.2 NC1CCCO1 Amb16233703 [0,0,0,0,0,0|3,0,1]=4 164 B6R1.2 NC1CCNC1 Amb2720262 [0,0,0,0,0,0|2,0,1]=3 165 B6R1.2 NC1CCNC1 Amb2777850 [0,0,0,0,0,0|2,0,1]=3 166 B6R1.2 NC1CCOC1 Amb33536523 [0,0,0,0,0,0|1,1,1]=3 167 B6R1.2 NC1CCOC1 Amb3941188 [0,0,0,0,0,0|1,1,1]=3 168 B6R1.2 NC1CCSC1 Amb19149005 [0,0,0,0,0,0|1,0,1]=2 169 B6R1.2 NC1CCSC1 Amb9709380 [0,0,0,0,0,0|1,0,1]=2 170 B6R1.2 NC1CSSC1 Amb8480297 [0,0,0,0,0,0|2,0,1]=3 171 B6R1.2 NN1CCCC1 Amb2720328 [0,0,0,0,0,0|3,0,0]=3 172 B6R1.2 NN1CCCC1 Amb32651939 [0,0,0,0,0,0|3,0,0]=3 173 B6R1.2 NN1CCCC1 Amb836837 [0,0,0,0,0,0|3,0,0]=3 174 B6R1.2 N[C@@H]1CCNC1 Amb2696338 [0,0,0,0,0,0|2,0,1]=3 175 B6R1.2 N[C@@H]1CCNC1 Amb8396670 [0,0,0,0,0,0|2,0,1]=3 176 B6R1.2 N[C@@H]1CCOC1 Amb19515768 [0,0,0,0,0,0|1,1,1]=3 177 B6R1.2 N[C@@H]1CCOC1 Amb8628967 [0,0,0,0,0,0|1,1,1]=3 178 B6R1.2 N[C@@H]1CCSC1 Amb28067533 [0,0,0,0,0,0|1,0,1]=2 179 B6R1.2 N[C@H]1CCNC1 Amb2696339 [0,0,0,0,0,0|2,0,1]=3 180 B6R1.2 N[C@H]1CCOC1 Amb10603285 [0,0,0,0,0,0|1,1,1]=3 181 B6R1.2 N[C@H]1CCOC1 Amb8389308 [0,0,0,0,0,0|1,1,1]=3 182 B6R1.2 N[C@H]1CCSC1 Amb24611361 [0,0,0,0,0,0|1,0,1]=2 183 B6R1.2 Nc1ccsc1 Amb13889594 [0,0,0,0,0,0|1,0,3]=4 184 B6R1.2 Nc1ccsc1 Amb17935671 [0,0,0,0,0,0|1,0,3]=4 185 B6R1.2 Nc1ccsc1 Amb19515444 [0,0,0,0,0,0|1,0,3]=4 186 B6R1.2 Nc1ccsc1 Amb22405919 [0,0,0,0,0,0|1,0,3]=4 187 B6R1.2 Nc1ccsn1 Amb22235783 [0,0,0,0,0,0|2,0,2]=4 188 B6R1.2 Nc1ccsn1 Amb33553648 [0,0,0,0,0,0|2,0,2]=4 189 B6R1.2 Nc1cnsc1 Amb19958803 [0,0,0,0,0,0|2,0,2]=4 190 B6R1.2 Nc1cnsc1 Amb30584670 [0,0,0,0,0,0|2,0,2]=4 191 B6R1.2 Nc1cnsc1 Amb8009360 [0,0,0,0,0,0|2,0,2]=4 192 B6R1.2 Nc1cnsn1 Amb17231804 [0,0,0,0,0,0|3,0,1]=4 193 B6R1.2 Nc1cnsn1 Amb20669152 [0,0,0,0,0,0|3,0,1]=4 194 B6R1.2 Nc1cscn1 Amb10600518 [0,0,0,0,0,0|2,0,2]=4 195 B6R1.2 Nc1cscn1 Amb22495658 [0,0,0,0,0,0|2,0,2]=4 196 B6R1.2 Nc1csnn1 Amb28555335 [0,0,0,0,0,0|3,0,1]=4 197 B6R1.2 Nc1ncsn1 Amb18202868 [0,0,0,0,0,0|3,0,1]=4 198 B6R1.2 O=C1C=CCC1 Amb4019519 [0,0,0,0,0,0|1,0,1]=2 199 B6R1.2 O=C1C=CCN1 Amb20241082 [0,0,0,0,0,0|2,0,1]=3 200 B6R1.2 O=C1C=CCO1 Amb2792769 [0,0,0,0,0,0|2,0,1]=3 201 B6R1.2 O=C1C=CCS1 Amb22336458 [0,0,0,0,0,0|2,0,1]=3 202 B6R1.2 O=C1C=CN=N1 Amb22230022 [0,0,0,0,0,0|2,0,2]=4 203 B6R1.2 O=C1C=CNN1 Amb19958916 [0,0,0,0,0,0|2,0,2]=4 204 B6R1.2 O=C1C=COC1 Amb24107591 [0,0,0,0,0,0|0,1,2]=3 205 B6R1.2 O=C1C=CSN1 Amb19895016 [0,0,0,0,0,0|1,0,2]=3 206 B6R1.2 O=C1C=CSS1 Amb27421370 [0,0,0,0,0,0|1,0,2]=3 207 B6R1.2 O=C1C=NCN1 Amb26572891 [0,0,0,0,0,0|2,0,1]=3 208 B6R1.2 O=C1C=NCO1 Amb25786221 [0,0,0,0,0,0|2,0,1]=3 209 B6R1.2 O=C1C=NN=C1 Amb28351406 [0,0,0,0,0,0|2,0,2]=4 210 B6R1.2 O=C1CC=CC1 Amb2686649 [0,0,0,0,0,0|1,0,1]=2 211 B6R1.2 O=C1CC=CN1 Amb22235167 [0,0,0,0,0,0|2,0,1]=3 212 B6R1.2 O=C1CC=NN1 Amb3428206 [0,0,0,0,0,0|2,0,1]=3 213 B6R1.2 O=C1CC=NO1 Amb27654112 [0,0,0,0,0,0|2,0,1]=3 214 B6R1.2 O=C1CCCC1 Amb2793024 [0,0,0,0,0,0|1,0,0]=1 215 B6R1.2 O=C1CCCN1 Amb22169686 [0,0,0,0,0,0|2,0,0]=2 216 B6R1.2 O=C1CCCN1 Amb6608645 [0,0,0,0,0,0|2,0,0]=2 217 B6R1.2 O=C1CCCO1 Amb3940401 [0,0,0,0,0,0|2,0,0]=2 218 B6R1.2 O=C1CCCS1 Amb22338102 [0,0,0,0,0,0|2,0,0]=2 219 B6R1.2 O=C1CCNC1 Amb2700623 [0,0,0,0,0,0|1,0,0]=1 220 B6R1.2 O=C1CCNC1 Amb8386645 [0,0,0,0,0,0|1,0,0]=1 221 B6R1.2 O=C1CCNN1 Amb33551041 [0,0,0,0,0,0|2,0,0]=2 222 B6R1.2 O=C1CCNN1 Amb3428540 [0,0,0,0,0,0|2,0,0]=2 223 B6R1.2 O=C1CCOC1 Amb7990143 [0,0,0,0,0,0|0,1,0]=1 224 B6R1.2 O=C1CCON1 Amb22235009 [0,0,0,0,0,0|1,1,0]=2 225 B6R1.2 O=C1CCSC1 Amb2720904 [0,0,0,0,0,0|0,0,0]=0 226 B6R1.2 O=C1CN=CS1 Amb27963219 [0,0,0,0,0,0|2,0,1]=3 227 B6R1.2 O=C1CNCN1 Amb19957368 [0,0,0,0,0,0|2,0,0]=2 228 B6R1.2 O=C1CNCS1 Amb27443758 [0,0,0,0,0,0|2,0,0]=2 229 B6R1.2 O=C1COCN1 Amb28132686 [0,0,0,0,0,0|1,1,0]=2 230 B6R1.2 O=C1CSCN1 Amb28187121 [0,0,0,0,0,0|1,0,0]=1 231 B6R1.2 O=C1CSSC1 Amb28351444 [0,0,0,0,0,0|1,0,0]=1 232 B6R1.2 O=C1N=CC=N1 Amb25138138 [0,0,0,0,0,0|3,0,1]=4 233 B6R1.2 O=C1N=CN=N1 Amb3614275 [0,0,0,0,0,0|3,0,1]=4 234 B6R1.2 O=C1NC=CN1 Amb19516737 [0,0,0,0,0,0|3,0,1]=4 235 B6R1.2 O=C1NC=CO1 Amb20671008 [0,0,0,0,0,0|3,0,1]=4 236 B6R1.2 O=C1NC=CS1 Amb19271596 [0,0,0,0,0,0|3,0,1]=4 237 B6R1.2 O=C1NC=NN1 Amb20243425 [0,0,0,0,0,0|3,0,1]=4 238 B6R1.2 O=C1NCCN1 Amb6357221 [0,0,0,0,0,0|3,0,0]=3 239 B6R1.2 O=C1NCCN1 Amb6608941 [0,0,0,0,0,0|3,0,0]=3 240 B6R1.2 O=C1NCCO1 Amb6608807 [0,0,0,0,0,0|3,0,0]=3 241 B6R1.2 O=C1NCCS1 Amb431322 [0,0,0,0,0,0|3,0,0]=3 242 B6R1.2 O=C1NN=CO1 Amb20667671 [0,0,0,0,0,0|3,0,1]=4 243 B6R1.2 O=C1NN=CS1 Amb22491285 [0,0,0,0,0,0|3,0,1]=4 244 B6R1.2 O=C1OC=CO1 Amb20239430 [0,0,0,0,0,0|3,0,1]=4 245 B6R1.2 O=C1OCCO1 Amb4057710 [0,0,0,0,0,0|3,0,0]=3 246 B6R1.2 O=C1OCCS1 Amb27398683 [0,0,0,0,0,0|3,0,0]=3 247 B6R1.2 O=S1CCCC1 Amb2690579 [0,0,0,0,0,0|2,0,0]=2 248 B6R1.2 O=S1CCNC1 Amb28075495 [0,0,0,0,0,0|2,0,0]=2 249 B6R1.2 O=S1OCCO1 Amb8383890 [0,0,0,0,0,0|4,0,0]=4 250 B6R1.2 O=[PH]1CC=CC1 Amb35747085 [0,0,0,0,0,0|2,0,1]=3 251 B6R1.2 O=[PH]1CCCC1 Amb33804724 [0,0,0,0,0,0|2,0,0]=2 252 B6R1.2 O=[PH]1OCCO1 Amb22346149 [0,0,0,0,0,0|4,0,0]=4 253 B6R1.2 OC1=NC=NC1 Amb26446352 [0,0,0,0,0,0|2,0,2]=4 254 B6R1.2 OC1=NNCC1 Amb2111955 [0,0,0,0,0,0|2,0,1]=3 255 B6R1.2 OC1=NNCC1 Amb844737 [0,0,0,0,0,0|2,0,1]=3 256 B6R1.2 OC1C=CCC1 Amb33546881 [0,0,0,0,0,0|1,0,3]=4 257 B6R1.2 OC1CC=CC1 Amb2686648 [0,0,0,0,0,0|1,0,3]=4 258 B6R1.2 OC1CCCC1 Amb3939016 [0,0,0,0,0,0|1,0,2]=3 259 B6R1.2 OC1CCCN1 Amb28120620 [0,0,0,0,0,0|2,0,2]=4 260 B6R1.2 OC1CCCO1 Amb17615892 [0,0,0,0,0,0|2,0,2]=4 261 B6R1.2 OC1CCCS1 Amb27864587 [0,0,0,0,0,0|2,0,2]=4 262 B6R1.2 OC1CCNC1 Amb22436788 [0,0,0,0,0,0|1,0,2]=3 263 B6R1.2 OC1CCNC1 Amb2688790 [0,0,0,0,0,0|1,0,2]=3 264 B6R1.2 OC1CCNC1 Amb2690449 [0,0,0,0,0,0|1,0,2]=3 265 B6R1.2 OC1CCOC1 Amb2688794 [0,0,0,0,0,0|0,1,2]=3 266 B6R1.2 OC1CCSC1 Amb9748224 [0,0,0,0,0,0|0,0,2]=2 267 B6R1.2 OC1CNNC1 Amb17593035 [0,0,0,0,0,0|2,0,2]=4 268 B6R1.2 OC1CNNC1 Amb33456285 [0,0,0,0,0,0|2,0,2]=4 269 B6R1.2 OC1CNOC1 Amb19516646 [0,0,0,0,0,0|1,1,2]=4 270 B6R1.2 OC1CNOC1 Amb19889794 [0,0,0,0,0,0|1,1,2]=4 271 B6R1.2 ON1CCCC1 Amb30988006 [0,0,0,0,0,0|2,0,1]=3 272 B6R1.2 ON1CCCC1 Amb4035438 [0,0,0,0,0,0|2,0,1]=3 273 B6R1.2 O[C@@H]1CCNC1 Amb2688791 [0,0,0,0,0,0|1,0,2]=3 274 B6R1.2 O[C@@H]1CCNC1 Amb3939360 [0,0,0,0,0,0|1,0,2]=3 275 B6R1.2 O[C@@H]1CCOC1 Amb8628960 [0,0,0,0,0,0|0,1,2]=3 276 B6R1.2 O[C@@H]1CCSC1 Amb27160810 [0,0,0,0,0,0|0,0,2]=2 277 B6R1.2 O[C@@H]1CNOC1 Amb22748671 [0,0,0,0,0,0|1,1,2]=4 278 B6R1.2 O[C@H]1C=CCC1 Amb28133982 [0,0,0,0,0,0|1,0,3]=4 279 B6R1.2 O[C@H]1CCNC1 Amb2688792 [0,0,0,0,0,0|1,0,2]=3 280 B6R1.2 O[C@H]1CCNC1 Amb33716680 [0,0,0,0,0,0|1,0,2]=3 281 B6R1.2 O[C@H]1CCNC1 Amb8384246 [0,0,0,0,0,0|1,0,2]=3 282 B6R1.2 O[C@H]1CCOC1 Amb32409449 [0,0,0,0,0,0|0,1,2]=3 283 B6R1.2 O[C@H]1CCOC1 Amb33718794 [0,0,0,0,0,0|0,1,2]=3 284 B6R1.2 O[C@H]1CCOC1 Amb3940165 [0,0,0,0,0,0|0,1,2]=3 285 B6R1.2 O[C@H]1CCSC1 Amb27211574 [0,0,0,0,0,0|0,0,2]=2 286 B6R1.2 O[C@H]1CNOC1 Amb33801809 [0,0,0,0,0,0|1,1,2]=4 287 B6R1.2 Oc1ccsc1 Amb16231253 [0,0,0,0,0,0|0,0,4]=4 288 B6R1.2 Oc1ccsn1 Amb22371253 [0,0,0,0,0,0|1,0,3]=4 289 B6R1.2 Oc1cnsc1 Amb33744137 [0,0,0,0,0,0|1,0,3]=4 290 B6R1.2 Oc1cnsn1 Amb1107309 [0,0,0,0,0,0|2,0,2]=4 291 B6R1.2 Oc1cscn1 Amb10600519 [0,0,0,0,0,0|1,0,3]=4 292 B6R1.2 Oc1csnn1 Amb33321615 [0,0,0,0,0,0|2,0,2]=4 293 B6R1.2 PN1CCCC1 Amb27430446 [0,0,0,0,0,0|3,0,0]=3 294 B6R1.2 S=C1C=CCO1 Amb27971151 [0,0,0,0,0,0|2,1,1]=4 295 B6R1.2 S=C1C=CSS1 Amb19132030 [0,0,0,0,0,0|1,1,2]=4 296 B6R1.2 S=C1CC=CN1 Amb27239207 [0,0,0,0,0,0|2,1,1]=4 297 B6R1.2 S=C1CCCC1 Amb28049287 [0,0,0,0,0,0|1,1,0]=2 298 B6R1.2 S=C1CCCN1 Amb2778514 [0,0,0,0,0,0|2,1,0]=3 299 B6R1.2 S=C1CCCO1 Amb27808589 [0,0,0,0,0,0|2,1,0]=3 300 B6R1.2 S=C1CN=CS1 Amb24093708 [0,0,0,0,0,0|2,1,1]=4 301 B6R1.2 S=C1COC=N1 Amb27636708 [0,0,0,0,0,0|1,2,1]=4 302 B6R1.2 S=C1NCCN1 Amb2720352 [0,0,0,0,0,0|3,1,0]=4 303 B6R1.2 S=C1NCCO1 Amb2371644 [0,0,0,0,0,0|3,1,0]=4 304 B6R1.2 S=C1NCCS1 Amb4010551 [0,0,0,0,0,0|3,1,0]=4 305 B6R1.2 S=C1SCCS1 Amb8517514 [0,0,0,0,0,0|3,1,0]=4 306 B6R1.2 SC1=NCCN1 Amb3778841 [0,0,0,0,0,0|3,1,0]=4 307 B6R1.2 SC1=NCCS1 Amb2720331 [0,0,0,0,0,0|3,1,0]=4 308 B6R1.2 SC1C=CCC1 Amb32788808 [0,0,0,0,0,0|1,1,2]=4 309 B6R1.2 SC1CCCC1 Amb6608767 [0,0,0,0,0,0|1,1,1]=3 310 B6R1.2 SC1CCNC1 Amb10608919 [0,0,0,0,0,0|1,1,1]=3 311 B6R1.2 SC1CCOC1 Amb22298444 [0,0,0,0,0,0|0,2,1]=3 312 B6R1.2 SC1CCSC1 Amb7784766 [0,0,0,0,0,0|0,1,1]=2 313 B6R1.2 SC1CNOC1 Amb32788426 [0,0,0,0,0,0|1,2,1]=4 314 B6R1.2 Sc1ccsc1 Amb16232450 [0,0,0,0,0,0|0,1,3]=4 315 B6R1.2 Sc1cnsc1 Amb25992586 [0,0,0,0,0,0|1,1,2]=4 316 B6R1.2 Sc1cscn1 Amb24099741 [0,0,0,0,0,0|1,1,2]=4 317 B6R1.2 Sc1csnn1 Amb33321055 [0,0,0,0,0,0|2,1,1]=4 318 B6R1.2 [NH3+]C1CC[NH2+]C1 Amb33513012 [0,0,0,0,0,0|2,0,1]=3 319 B6R1.2 [NH3+][C@@H]1CC[NH2+]C1 Amb8397249 [0,0,0,0,0,0|2,0,1]=3 320 B6R1.2 [NH3+][C@H]1CC[NH2+]C1 Amb8397248 [0,0,0,0,0,0|2,0,1]=3 321 B6R1.2 [O-][N+]1=CCCC1 Amb28066729 [0,0,0,0,0,0|2,0,2]=4 322 B6R1.2 [O-][N+]1=CCNC1 Amb27963190 [0,0,0,0,0,0|2,0,2]=4 323 B6R1.2 [S-]c1cnsn1 Amb24116481 [0,0,0,0,0,0|2,1,1]=4 324 B6R1.2 [SiH3]C1CCCC1 Amb22229567 [0,0,0,0,0,0|2,0,1]=3 325 B5R1.1 C1=CCCC1 Amb6608970 [1,0,0,0,0,0|1,0,1]=3 326 B5R1.1 C1=CCNC1 Amb2695003 [1,0,0,0,0,0|1,0,1]=3 327 B5R1.1 C1=CCNC1 Amb8630078 [1,0,0,0,0,0|1,0,1]=3 328 B5R1.1 C1=CCOC1 Amb7809243 [1,0,0,0,0,0|0,1,1]=3 329 B5R1.1 C1=CCSC1 Amb33544213 [1,0,0,0,0,0|0,0,1]=2 330 B5R1.1 C1=CNCC1 Amb24476832 [1,0,0,0,0,0|1,0,1]=3 331 B5R1.1 C1=COCC1 Amb6609005 [1,0,0,0,0,0|0,1,1]=3 332 B5R1.1 C1=COCN1 Amb20242493 [1,0,0,0,0,0|1,1,1]=4 333 B5R1.1 C1=CSCC1 Amb24065325 [1,0,0,0,0,0|0,0,1]=2 334 B5R1.1 C1=CSSC1 Amb27437397 [1,0,0,0,0,0|1,0,1]=3 335 B5R1.1 C1=NCCC1 Amb28282781 [1,0,0,0,0,0|2,0,0]=3 336 B5R1.1 C1=NCCN1 Amb25083166 [1,0,0,0,0,0|2,0,1]=4 337 B5R1.1 C1=NCCO1 Amb16234259 [1,0,0,0,0,0|1,1,1]=4 338 B5R1.1 C1=NCCS1 Amb4022861 [1,0,0,0,0,0|1,0,1]=3 339 B5R1.1 C1=NCNC1 Amb27449121 [1,0,0,0,0,0|2,0,0]=3 340 B5R1.1 C1=NNCC1 Amb21618957 [1,0,0,0,0,0|2,0,0]=3 341 B5R1.1 C1=NNCN1 Amb28186670 [1,0,0,0,0,0|3,0,0]=4 342 B5R1.1 C1=NOCN1 Amb24117046 [1,0,0,0,0,0|2,1,0]=4 343 B5R1.1 C1CCNC1 Amb2792830 [1,0,0,0,0,0|1,0,1]=3 344 B5R1.1 C1CCOC1 Amb2792997 [1,0,0,0,0,0|0,1,1]=3 345 B5R1.1 C1CCSC1 Amb2690554 [1,0,0,0,0,0|0,0,1]=2 346 B5R1.1 C1CC[SiH2]C1 Amb27494656 [1,0,0,0,0,0|1,0,1]=3 347 B5R1.1 C1CNCN1 Amb22497691 [1,0,0,0,0,0|2,0,0]=3 348 B5R1.1 C1CNNC1 Amb18061973 [1,0,0,0,0,0|2,0,1]=4 349 B5R1.1 C1CNNC1 Amb21964916 [1,0,0,0,0,0|2,0,1]=4 350 B5R1.1 C1CNOC1 Amb6365588 [1,0,0,0,0,0|1,1,1]=4 351 B5R1.1 C1CNOC1 Amb8503363 [1,0,0,0,0,0|1,1,1]=4 352 B5R1.1 C1COCN1 Amb17506153 [1,0,0,0,0,0|1,1,0]=3 353 B5R1.1 C1CSCN1 Amb30633758 [1,0,0,0,0,0|1,0,0]=2 354 B5R1.1 C1CSCN1 Amb3940118 [1,0,0,0,0,0|1,0,0]=2 355 B5R1.1 C1CSCS1 Amb10071964 [1,0,0,0,0,0|1,0,0]=2 356 B5R1.1 [C-]1=CC=CC1 Amb22231445 [1,0,0,0,0,0|1,0,2]=4 357 B5R1.1 c1ccsc1 Amb2694672 [1,0,0,0,0,0|0,0,3]=4 358 B5R1.1 c1cnsc1 Amb1090456 [1,0,0,0,0,0|1,0,2]=4 359 B5R1.1 c1cscn1 Amb2690588 [1,0,0,0,0,0|1,0,2]=4 360 B7R1.1 BrC=C1CCCC1 Amb27592183 [0,1,0,0,0,0|2,0,0]=3 361 B7R1.1 BrCC1=CCCC1 Amb23439168 [0,1,0,0,0,0|2,0,1]=4 362 B7R1.1 BrCC1CCCC1 Amb8631537 [0,1,0,0,0,0|2,0,1]=4 363 B7R1.1 BrCC1CCNC1 Amb20618587 [0,1,0,0,0,0|2,0,1]=4 364 B7R1.1 BrCC1CCNC1 Amb22229236 [0,1,0,0,0,0|2,0,1]=4 365 B7R1.1 BrCC1CCNC1 Amb33483362 [0,1,0,0,0,0|2,0,1]=4 366 B7R1.1 BrCC1CCOC1 Amb8835455 [0,1,0,0,0,0|1,1,1]=4 367 B7R1.1 BrCC1CCSC1 Amb27630698 [0,1,0,0,0,0|1,0,1]=3 368 B7R1.1 Br[Mg][C@H]1CCOC1 Amb32643924 [0,1,0,0,0,0|1,1,1]=4 369 B7R1.1 Br\C=C1\COCO1 Amb27656799 [0,1,0,0,0,0|2,1,0]=4 370 B7R1.1 C#CC1=CCCC1 Amb17689255 [0,1,0,0,0,0|2,0,1]=4 371 B7R1.1 C#CC1CCCC1 Amb8396063 [0,1,0,0,0,0|2,0,1]=4 372 B7R1.1 C#CC1CCNC1 Amb27776416 [0,1,0,0,0,0|2,0,1]=4 373 B7R1.1 C#CC1CCOC1 Amb23439658 [0,1,0,0,0,0|1,1,1]=4 374 B7R1.1 C#CC1CCSC1 Amb33345729 [0,1,0,0,0,0|1,0,1]=3 375 B7R1.1 C#CC1CSCN1 Amb33169016 [0,1,0,0,0,0|2,0,1]=4 376 B7R1.1 C=CC1CCCC1 Amb17934190 [0,1,0,0,0,0|2,0,1]=4 377 B7R1.1 C=CC1CCNC1 Amb22587509 [0,1,0,0,0,0|2,0,1]=4 378 B7R1.1 C=CC1CCOC1 Amb24478877 [0,1,0,0,0,0|1,1,1]=4 379 B7R1.1 C=CC1CCSC1 Amb28065280 [0,1,0,0,0,0|1,0,1]=3 380 B7R1.1 C=CN1CCCC1 Amb25133406 [0,1,0,0,0,0|3,0,0]=4 381 B7R1.1 CC=C1CCCC1 Amb4035880 [0,1,0,0,0,0|2,0,0]=3 382 B7R1.1 CCC1=CCCC1 Amb4035875 [0,1,0,0,0,0|2,0,1]=4 383 B7R1.1 CCC1=NCCC1 Amb22055207 [0,1,0,0,0,0|3,0,0]=4 384 B7R1.1 CCC1CCCC1 Amb22053788 [0,1,0,0,0,0|2,0,1]=4 385 B7R1.1 CCC1CCNC1 Amb18946548 [0,1,0,0,0,0|2,0,1]=4 386 B7R1.1 CCC1CCNC1 Amb20630619 [0,1,0,0,0,0|2,0,1]=4 387 B7R1.1 CCN1CCCC1 Amb17938866 [0,1,0,0,0,0|3,0,0]=4 388 B7R1.1 CCN1CCOC1 Amb26603215 [0,1,0,0,0,0|2,1,0]=4 389 B7R1.1 CC[C@@H]1CCNC1 Amb33801216 [0,1,0,0,0,0|2,0,1]=4 390 B7R1.1 CC[C@H]1CCNC1 Amb27458282 [0,1,0,0,0,0|2,0,1]=4 391 B7R1.1 CC[C@H]1CCNC1 Amb30594227 [0,1,0,0,0,0|2,0,1]=4 392 B7R1.1 CNC1=NCCC1 Amb33249673 [0,1,0,0,0,0|3,0,0]=4 393 B7R1.1 CNC1=NCCC1 Amb4136373 [0,1,0,0,0,0|3,0,0]=4 394 B7R1.1 CNC1CCCC1 Amb1223228 [0,1,0,0,0,0|2,0,1]=4 395 B7R1.1 CNC1CCCC1 Amb9677383 [0,1,0,0,0,0|2,0,1]=4 396 B7R1.1 CNC1CCNC1 Amb22491402 [0,1,0,0,0,0|2,0,1]=4 397 B7R1.1 CNC1CCNC1 Amb8396671 [0,1,0,0,0,0|2,0,1]=4 398 B7R1.1 CNC1CCNC1 Amb8397135 [0,1,0,0,0,0|2,0,1]=4 399 B7R1.1 CNC1CCOC1 Amb20241377 [0,1,0,0,0,0|1,1,1]=4 400 B7R1.1 CNC1CCOC1 Amb8009837 [0,1,0,0,0,0|1,1,1]=4 401 B7R1.1 CNC1CCSC1 Amb22741543 [0,1,0,0,0,0|1,0,1]=3 402 B7R1.1 CNC1CCSC1 Amb31291647 [0,1,0,0,0,0|1,0,1]=3 403 B7R1.1 CNC1CCSC1 Amb9711007 [0,1,0,0,0,0|1,0,1]=3 404 B7R1.1 CN[C@@H]1CCNC1 Amb8396672 [0,1,0,0,0,0|2,0,1]=4 405 B7R1.1 CN[C@@H]1CCNC1 Amb8397134 [0,1,0,0,0,0|2,0,1]=4 406 B7R1.1 CN[C@@H]1CCOC1 Amb20241026 [0,1,0,0,0,0|1,1,1]=4 407 B7R1.1 CN[C@@H]1CCOC1 Amb33330851 [0,1,0,0,0,0|1,1,1]=4 408 B7R1.1 CN[C@H]1CCNC1 Amb8396673 [0,1,0,0,0,0|2,0,1]=4 409 B7R1.1 CN[C@H]1CCNC1 Amb8397133 [0,1,0,0,0,0|2,0,1]=4 410 B7R1.1 CN[C@H]1CCOC1 Amb20240861 [0,1,0,0,0,0|1,1,1]=4 411 B7R1.1 CN[C@H]1CCOC1 Amb20241500 [0,1,0,0,0,0|1,1,1]=4 412 B7R1.1 COC1=NCCC1 Amb1694184 [0,1,0,0,0,0|2,0,1]=4 413 B7R1.1 COC1CCCC1 Amb8517656 [0,1,0,0,0,0|1,0,2]=4 414 B7R1.1 COC1CCNC1 Amb10603699 [0,1,0,0,0,0|1,0,2]=4 415 B7R1.1 COC1CCNC1 Amb8011289 [0,1,0,0,0,0|1,0,2]=4 416 B7R1.1 CO[C@@H]1CCNC1 Amb10603225 [0,1,0,0,0,0|1,0,2]=4 417 B7R1.1 CO[C@@H]1CCNC1 Amb10603226 [0,1,0,0,0,0|1,0,2]=4 418 B7R1.1 CO[C@H]1CCNC1 Amb10603275 [0,1,0,0,0,0|1,0,2]=4 419 B7R1.1 CO[C@H]1CCNC1 Amb20241379 [0,1,0,0,0,0|1,0,2]=4 420 B7R1.1 CSC1CCCC1 Amb22230463 [0,1,0,0,0,0|1,1,1]=4 421 B7R1.1 CSC1CCNC1 Amb18279428 [0,1,0,0,0,0|1,1,1]=4 422 B7R1.1 CSC1CCNC1 Amb32662537 [0,1,0,0,0,0|1,1,1]=4 423 B7R1.1 C\C=C1/CCNC1 Amb31161498 [0,1,0,0,0,0|2,0,0]=3 424 B7R1.1 C\C=C1/CCNC1 Amb33611505 [0,1,0,0,0,0|2,0,0]=3 425 B7R1.1 ClC=C1CCCC1 Amb28118913 [0,1,0,0,0,0|2,0,0]=3 426 B7R1.1 ClCC1=NOCC1 Amb32660442 [0,1,0,0,0,0|2,1,0]=4 427 B7R1.1 ClCC1CCCC1 Amb9004338 [0,1,0,0,0,0|2,0,1]=4 428 B7R1.1 ClCC1CCOC1 Amb9754529 [0,1,0,0,0,0|1,1,1]=4 429 B7R1.1 ClCC1CCSC1 Amb28423424 [0,1,0,0,0,0|1,0,1]=3 430 B7R1.1 ClC[C@@H]1CCNC1 Amb26551071 [0,1,0,0,0,0|2,0,1]=4 431 B7R1.1 ClC[C@H]1CCNC1 Amb25064501 [0,1,0,0,0,0|2,0,1]=4 432 B7R1.1 FCC1CCNC1 Amb24423478 [0,1,0,0,0,0|2,0,1]=4 433 B7R1.1 FCC1CCNC1 Amb32676678 [0,1,0,0,0,0|2,0,1]=4 434 B7R1.1 FC[C@@H]1CCNC1 Amb27246397 [0,1,0,0,0,0|2,0,1]=4 435 B7R1.1 FC[C@@H]1CCNC1 Amb33874890 [0,1,0,0,0,0|2,0,1]=4 436 B7R1.1 FC[C@H]1CCNC1 Amb24184002 [0,1,0,0,0,0|2,0,1]=4 437 B7R1.1 FC[C@H]1CCNC1 Amb28435036 [0,1,0,0,0,0|2,0,1]=4 438 B7R1.1 F[BH2-][O+]1CCCC1 Amb27214531 [0,1,0,0,0,0|3,0,0]=4 439 B7R1.1 ICC1=CCCC1 Amb27838217 [0,1,0,0,0,0|2,0,1]=4 440 B7R1.1 ICC1CCCC1 Amb8517132 [0,1,0,0,0,0|2,0,1]=4 441 B7R1.1 ICC1CCOC1 Amb23439064 [0,1,0,0,0,0|1,1,1]=4 442 B7R1.1 N#CC1=CCCC1 Amb2720765 [0,1,0,0,0,0|2,0,1]=4 443 B7R1.1 N#CC1=CCSC1 Amb25949534 [0,1,0,0,0,0|1,0,1]=3 444 B7R1.1 N#CC1=NOCC1 Amb24624782 [0,1,0,0,0,0|2,1,0]=4 445 B7R1.1 N#CC1CCCC1 Amb2721544 [0,1,0,0,0,0|2,0,1]=4 446 B7R1.1 N#CC1CCNC1 Amb10067167 [0,1,0,0,0,0|2,0,1]=4 447 B7R1.1 N#CC1CCNC1 Amb8630804 [0,1,0,0,0,0|2,0,1]=4 448 B7R1.1 N#CC1CCOC1 Amb33529813 [0,1,0,0,0,0|1,1,1]=4 449 B7R1.1 N#CC1CCSC1 Amb33545171 [0,1,0,0,0,0|1,0,1]=3 450 B7R1.1 N#CN1CCCC1 Amb2725447 [0,1,0,0,0,0|3,0,0]=4 451 B7R1.1 N#C[C@@H]1CCNC1 Amb10066949 [0,1,0,0,0,0|2,0,1]=4 452 B7R1.1 N#C[C@@H]1CCNC1 Amb26864444 [0,1,0,0,0,0|2,0,1]=4 453 B7R1.1 N#C[C@@H]1CCOC1 Amb28137320 [0,1,0,0,0,0|1,1,1]=4 454 B7R1.1 N#C[C@@H]1CSCN1 Amb2686612 [0,1,0,0,0,0|2,0,1]=4 455 B7R1.1 N#C[C@@H]1CSCN1 Amb27966624 [0,1,0,0,0,0|2,0,1]=4 456 B7R1.1 N#C[C@H]1CCNC1 Amb10066950 [0,1,0,0,0,0|2,0,1]=4 457 B7R1.1 N#C[C@H]1CCOC1 Amb23439943 [0,1,0,0,0,0|1,1,1]=4 458 B7R1.1 NCC1=CCCC1 Amb18120760 [0,1,0,0,0,0|2,0,1]=4 459 B7R1.1 NCC1=CCNC1 Amb24714742 [0,1,0,0,0,0|2,0,1]=4 460 B7R1.1 NCC1=CCSC1 Amb35743801 [0,1,0,0,0,0|1,0,1]=3 461 B7R1.1 NCC1=NOCC1 Amb19148524 [0,1,0,0,0,0|2,1,0]=4 462 B7R1.1 NCC1=NOCC1 Amb33330960 [0,1,0,0,0,0|2,1,0]=4 463 B7R1.1 NCC1CCCC1 Amb1127194 [0,1,0,0,0,0|2,0,1]=4 464 B7R1.1 NCC1CCCC1 Amb13951760 [0,1,0,0,0,0|2,0,1]=4 465 B7R1.1 NCC1CCCC1 Amb6892868 [0,1,0,0,0,0|2,0,1]=4 466 B7R1.1 NCC1CCOC1 Amb33536658 [0,1,0,0,0,0|1,1,1]=4 467 B7R1.1 NCC1CCOC1 Amb7969615 [0,1,0,0,0,0|1,1,1]=4 468 B7R1.1 NCC1CCSC1 Amb18198289 [0,1,0,0,0,0|1,0,1]=3 469 B7R1.1 NCC1CSCO1 Amb27234625 [0,1,0,0,0,0|2,0,1]=4 470 B7R1.1 NC[C@@H]1CCOC1 Amb26870648 [0,1,0,0,0,0|1,1,1]=4 471 B7R1.1 NC[C@@H]1CCOC1 Amb31204704 [0,1,0,0,0,0|1,1,1]=4 472 B7R1.1 NC[C@@H]1CSCN1 Amb28342007 [0,1,0,0,0,0|2,0,1]=4 473 B7R1.1 NC[C@H]1CCNC1 Amb25079280 [0,1,0,0,0,0|2,0,1]=4 474 B7R1.1 NC[C@H]1CCOC1 Amb23439065 [0,1,0,0,0,0|1,1,1]=4 475 B7R1.1 NC[C@H]1CCOC1 Amb23439174 [0,1,0,0,0,0|1,1,1]=4 476 B7R1.1 NNC1=NCCC1 Amb24119297 [0,1,0,0,0,0|3,0,0]=4 477 B7R1.1 NNC1=NCCC1 Amb33621235 [0,1,0,0,0,0|3,0,0]=4 478 B7R1.1 NNC1CCCC1 Amb10071294 [0,1,0,0,0,0|2,0,1]=4 479 B7R1.1 NNC1CCCC1 Amb2785873 [0,1,0,0,0,0|2,0,1]=4 480 B7R1.1 NNC1CCCC1 Amb8371028 [0,1,0,0,0,0|2,0,1]=4 481 B7R1.1 NNC1CCNC1 Amb28984221 [0,1,0,0,0,0|2,0,1]=4 482 B7R1.1 NNC1CCOC1 Amb20668064 [0,1,0,0,0,0|1,1,1]=4 483 B7R1.1 NNC1CCOC1 Amb22059240 [0,1,0,0,0,0|1,1,1]=4 484 B7R1.1 NNC1CCOC1 Amb22491679 [0,1,0,0,0,0|1,1,1]=4 485 B7R1.1 NNC1CCSC1 Amb22741176 [0,1,0,0,0,0|1,0,1]=3 486 B7R1.1 NNC1CCSC1 Amb32653036 [0,1,0,0,0,0|1,0,1]=3 487 B7R1.1 NNC1CCSC1 Amb9714172 [0,1,0,0,0,0|1,0,1]=3 488 B7R1.1 NN[C@@H]1CCOC1 Amb31291316 [0,1,0,0,0,0|1,1,1]=4 489 B7R1.1 NOC1CCCC1 Amb17101093 [0,1,0,0,0,0|1,0,2]=4 490 B7R1.1 NOC1CCOC1 Amb22295766 [0,1,0,0,0,0|0,1,2]=4 491 B7R1.1 NOC1CCSC1 Amb29863366 [0,1,0,0,0,0|0,0,2]=3 492 B7R1.1 NO[C@H]1CCNC1 Amb28245423 [0,1,0,0,0,0|1,0,2]=4 493 B7R1.1 O=C=C1CC=CN1 Amb27851531 [0,1,0,0,0,0|2,0,1]=4 494 B7R1.1 O=C=C1CCCC1 Amb17673796 [0,1,0,0,0,0|1,0,0]=2 495 B7R1.1 O=CC1=CC=CC1 Amb25799627 [0,1,0,0,0,0|1,0,2]=4 496 B7R1.1 O=CC1=CCCC1 Amb17138358 [0,1,0,0,0,0|1,0,1]=3 497 B7R1.1 O=CC1=CCCO1 Amb18120782 [0,1,0,0,0,0|2,0,1]=4 498 B7R1.1 O=CC1=CCSC1 Amb423472 [0,1,0,0,0,0|0,0,1]=2 499 B7R1.1 O=CC1=COCC1 Amb18120774 [0,1,0,0,0,0|0,1,1]=3 500 B7R1.1 O=CC1=NCCS1 Amb27799744 [0,1,0,0,0,0|3,0,0]=4 501 B7R1.1 O=CC1=NOCC1 Amb35788708 [0,1,0,0,0,0|1,1,0]=3 502 B7R1.1 O=CC1C=CCC1 Amb27229924 [0,1,0,0,0,0|1,0,2]=4 503 B7R1.1 O=CC1CC=CC1 Amb18638871 [0,1,0,0,0,0|1,0,2]=4 504 B7R1.1 O=CC1CCCC1 Amb31292855 [0,1,0,0,0,0|1,0,1]=3 505 B7R1.1 O=CC1CCCC1 Amb4605847 [0,1,0,0,0,0|1,0,1]=3 506 B7R1.1 O=CC1CCCC1 Amb6297186 [0,1,0,0,0,0|1,0,1]=3 507 B7R1.1 O=CC1CCCO1 Amb3939388 [0,1,0,0,0,0|2,0,1]=4 508 B7R1.1 O=CC1CCCS1 Amb27214645 [0,1,0,0,0,0|2,0,1]=4 509 B7R1.1 O=CC1CCNC1 Amb18197564 [0,1,0,0,0,0|1,0,1]=3 510 B7R1.1 O=CC1CCOC1 Amb6608994 [0,1,0,0,0,0|0,1,1]=3 511 B7R1.1 O=CC1CCSC1 Amb18199140 [0,1,0,0,0,0|0,0,1]=2 512 B7R1.1 O=CN1CC=CC1 Amb27978047 [0,1,0,0,0,0|2,0,1]=4 513 B7R1.1 O=CN1CCCC1 Amb2720947 [0,1,0,0,0,0|2,0,0]=3 514 B7R1.1 O=C[C@@H]1CCCN1 Amb27261498 [0,1,0,0,0,0|2,0,1]=4 515 B7R1.1 O=C[C@@H]1CCCS1 Amb28130403 [0,1,0,0,0,0|2,0,1]=4 516 B7R1.1 O=C[C@@H]1CCOC1 Amb27801459 [0,1,0,0,0,0|0,1,1]=3 517 B7R1.1 O=Cc1ccsc1 Amb2720343 [0,1,0,0,0,0|0,0,3]=4 518 B7R1.1 O=Cc1ccsn1 Amb8010932 [0,1,0,0,0,0|1,0,2]=4 519 B7R1.1 O=Cc1cnsc1 Amb8010933 [0,1,0,0,0,0|1,0,2]=4 520 B7R1.1 O=Cc1cnsn1 Amb18641770 [0,1,0,0,0,0|2,0,1]=4 521 B7R1.1 O=Cc1cscn1 Amb2455729 [0,1,0,0,0,0|1,0,2]=4 522 B7R1.1 O=Cc1csnn1 Amb2725899 [0,1,0,0,0,0|2,0,1]=4 523 B7R1.1 O=Cc1ncsn1 Amb8010945 [0,1,0,0,0,0|2,0,1]=4 524 B7R1.1 O=NC1CCCN1 Amb27488681 [0,1,0,0,0,0|2,0,1]=4 525 B7R1.1 O=NN1C=CCC1 Amb27845186 [0,1,0,0,0,0|2,0,1]=4 526 B7R1.1 O=NN1CC=CC1 Amb28344030 [0,1,0,0,0,0|2,0,1]=4 527 B7R1.1 O=NN1CCCC1 Amb9787681 [0,1,0,0,0,0|2,0,0]=3 528 B7R1.1 O=NN1CCSC1 Amb25104685 [0,1,0,0,0,0|1,0,0]=2 529 B7R1.1 O=S=C1NCCO1 Amb28350550 [0,1,0,0,0,0|3,0,0]=4 530 B7R1.1 OCC1=CCCC1 Amb24479891 [0,1,0,0,0,0|1,0,2]=4 531 B7R1.1 OCC1=CCSC1 Amb35606324 [0,1,0,0,0,0|0,0,2]=3 532 B7R1.1 OCC1=COCC1 Amb27827039 [0,1,0,0,0,0|0,1,2]=4 533 B7R1.1 OCC1=CSCC1 Amb28345026 [0,1,0,0,0,0|0,0,2]=3 534 B7R1.1 OCC1=NOCC1 Amb35746891 [0,1,0,0,0,0|1,1,1]=4 535 B7R1.1 OCC1CCCC1 Amb2721271 [0,1,0,0,0,0|1,0,2]=4 536 B7R1.1 OCC1CCNC1 Amb20240954 [0,1,0,0,0,0|1,0,2]=4 537 B7R1.1 OCC1CCNC1 Amb21858960 [0,1,0,0,0,0|1,0,2]=4 538 B7R1.1 OCC1CCNC1 Amb9782649 [0,1,0,0,0,0|1,0,2]=4 539 B7R1.1 OCC1CCOC1 Amb9748290 [0,1,0,0,0,0|0,1,2]=4 540 B7R1.1 OCC1CCSC1 Amb18203349 [0,1,0,0,0,0|0,0,2]=3 541 B7R1.1 OC[C@@H]1CCNC1 Amb34916128 [0,1,0,0,0,0|1,0,2]=4 542 B7R1.1 OC[C@@H]1CCNC1 Amb6893877 [0,1,0,0,0,0|1,0,2]=4 543 B7R1.1 OC[C@@H]1CCNC1 Amb8630261 [0,1,0,0,0,0|1,0,2]=4 544 B7R1.1 OC[C@@H]1CCOC1 Amb28189753 [0,1,0,0,0,0|0,1,2]=4 545 B7R1.1 OC[C@H]1CCNC1 Amb10067155 [0,1,0,0,0,0|1,0,2]=4 546 B7R1.1 OC[C@H]1CCNC1 Amb6893876 [0,1,0,0,0,0|1,0,2]=4 547 B7R1.1 OC[C@H]1CCOC1 Amb22746669 [0,1,0,0,0,0|0,1,2]=4 548 B7R1.1 ON=C1CCCC1 Amb6538721 [0,1,0,0,0,0|1,0,1]=3 549 B7R1.1 ONC1CCCC1 Amb27467457 [0,1,0,0,0,0|1,0,2]=4 550 B7R1.1 ONC1CCCC1 Amb30625652 [0,1,0,0,0,0|1,0,2]=4 551 B7R1.1 ONC1CCOC1 Amb25888397 [0,1,0,0,0,0|0,1,2]=4 552 B7R1.1 ONC1CCOC1 Amb32653528 [0,1,0,0,0,0|0,1,2]=4 553 B7R1.1 O\N=C1/C=CCC1 Amb27838262 [0,1,0,0,0,0|1,0,2]=4 554 B7R1.1 O\N=C1/CCCN1 Amb19769769 [0,1,0,0,0,0|2,0,1]=4 555 B7R1.1 O\N=C1/CCCN1 Amb33309985 [0,1,0,0,0,0|2,0,1]=4 556 B7R1.1 SCC1=CCSC1 Amb32788040 [0,1,0,0,0,0|0,1,1]=3 557 B7R1.1 SCC1CCCC1 Amb19514712 [0,1,0,0,0,0|1,1,1]=4 558 B7R1.1 SCC1CCOC1 Amb26919281 [0,1,0,0,0,0|0,2,1]=4 559 B7R1.1 SCC1CCSC1 Amb32788496 [0,1,0,0,0,0|0,1,1]=3 560 B7R1.1 [C-]#[N+]C1CCCC1 Amb1981028 [0,1,0,0,0,0|2,0,1]=4 561 B7R1.1 [C-]#[N+]C1CCOC1 Amb33420733 [0,1,0,0,0,0|1,1,1]=4 562 B7R1.1 [C-]#[N+]C1CCSC1 Amb33141891 [0,1,0,0,0,0|1,0,1]=3 563 B7R1.2 C=C1CCC(Br)C1 Amb25135798 [0,1,0,0,0,0|2,0,0]=3 564 B7R1.2 C=C1COC(=O)C1 Amb24589821 [0,1,0,0,0,0|2,0,0]=3 565 B7R1.2 C=C1COC(C)C1 Amb35695393 [0,1,0,0,0,0|1,1,0]=3 566 B7R1.2 C=C1NC(=O)CO1 Amb27847146 [0,1,0,0,0,0|1,1,1]=4 567 B7R1.2 CC1=CC(=O)CC1 Amb6608696 [0,1,0,0,0,0|1,0,1]=3 568 B7R1.2 CC1=CC(=O)CN1 Amb27390872 [0,1,0,0,0,0|1,0,2]=4 569 B7R1.2 CC1=CC(=O)CO1 Amb22372192 [0,1,0,0,0,0|0,1,2]=4 570 B7R1.2 CC1=CC(=O)NC1 Amb24479892 [0,1,0,0,0,0|2,0,1]=4 571 B7R1.2 CC1=CC(=O)OC1 Amb22002703 [0,1,0,0,0,0|2,0,1]=4 572 B7R1.2 CC1=CC(C)CC1 Amb24479860 [0,1,0,0,0,0|2,0,1]=4 573 B7R1.2 CC1=CC(C)NC1 Amb17593062 [0,1,0,0,0,0|2,0,1]=4 574 B7R1.2 CC1=CC(N)CC1 Amb28186103 [0,1,0,0,0,0|2,0,1]=4 575 B7R1.2 CC1=CCP(Cl)C1 Amb27261470 [0,1,0,0,0,0|2,0,1]=4 576 B7R1.2 CC1=COC(=O)C1 Amb27624758 [0,1,0,0,0,0|2,0,1]=4 577 B7R1.2 CC1=NC(=O)CS1 Amb27838191 [0,1,0,0,0,0|1,0,1]=3 578 B7R1.2 CC1=NCC(=O)N1 Amb27827848 [0,1,0,0,0,0|2,0,1]=4 579 B7R1.2 CC1=NCC(=O)O1 Amb27783804 [0,1,0,0,0,0|2,0,1]=4 580 B7R1.2 CC1=NNC(=O)C1 Amb932788 [0,1,0,0,0,0|2,0,1]=4 581 B7R1.2 CC1=NOC(=O)C1 Amb22274079 [0,1,0,0,0,0|2,0,1]=4 582 B7R1.2 CC1C=CC(=O)C1 Amb27260718 [0,1,0,0,0,0|1,0,1]=3 583 B7R1.2 CC1C=CC(=O)O1 Amb24053964 [0,1,0,0,0,0|2,0,1]=4 584 B7R1.2 CC1C=CC(=O)S1 Amb25746305 [0,1,0,0,0,0|2,0,1]=4 585 B7R1.2 CC1CC(=O)CN1 Amb28349308 [0,1,0,0,0,0|1,0,0]=2 586 B7R1.2 CC1CC(=O)CO1 Amb25888380 [0,1,0,0,0,0|0,1,0]=2 587 B7R1.2 CC1CC(=O)CS1 Amb23598370 [0,1,0,0,0,0|0,0,0]=1 588 B7R1.2 CC1CC(=O)NN1 Amb493880 [0,1,0,0,0,0|2,0,0]=3 589 B7R1.2 CC1CC(Br)CN1 Amb27634494 [0,1,0,0,0,0|2,0,1]=4 590 B7R1.2 CC1CC(Cl)=NN1 Amb27771490 [0,1,0,0,0,0|3,0,0]=4 591 B7R1.2 CC1CC(Cl)CN1 Amb28455910 [0,1,0,0,0,0|2,0,1]=4 592 B7R1.2 CC1CC(Cl)CO1 Amb35679295 [0,1,0,0,0,0|1,1,1]=4 593 B7R1.2 CC1CC(F)CN1 Amb25888440 [0,1,0,0,0,0|2,0,1]=4 594 B7R1.2 CC1CC(F)CN1 Amb33803405 [0,1,0,0,0,0|2,0,1]=4 595 B7R1.2 CC1CC(N)=NO1 Amb26627705 [0,1,0,0,0,0|2,1,0]=4 596 B7R1.2 CC1CC(N)CN1 Amb27168248 [0,1,0,0,0,0|2,0,1]=4 597 B7R1.2 CC1CC(N)CO1 Amb28283957 [0,1,0,0,0,0|1,1,1]=4 598 B7R1.2 CC1CC(N)CO1 Amb28827641 [0,1,0,0,0,0|1,1,1]=4 599 B7R1.2 CC1CC(N)CS1 Amb18202610 [0,1,0,0,0,0|1,0,1]=3 600 B7R1.2 CC1CC(O)CN1 Amb33329377 [0,1,0,0,0,0|1,0,2]=4 601 B7R1.2 CC1CC(O)CN1 Amb33545349 [0,1,0,0,0,0|1,0,2]=4 602 B7R1.2 CC1CC(O)CO1 Amb28430079 [0,1,0,0,0,0|0,1,2]=4 603 B7R1.2 CC1CC(S)CN1 Amb32788618 [0,1,0,0,0,0|1,1,1]=4 604 B7R1.2 CC1CC(S)CO1 Amb32788641 [0,1,0,0,0,0|0,2,1]=4 605 B7R1.2 CC1CC(S)CS1 Amb28050071 [0,1,0,0,0,0|0,1,1]=3 606 B7R1.2 CC1CCC(=O)C1 Amb8513672 [0,1,0,0,0,0|1,0,0]=2 607 B7R1.2 CC1CCC(=O)N1 Amb19267101 [0,1,0,0,0,0|2,0,0]=3 608 B7R1.2 CC1CCC(=O)O1 Amb6298321 [0,1,0,0,0,0|2,0,0]=3 609 B7R1.2 CC1CCC(=O)S1 Amb27252897 [0,1,0,0,0,0|2,0,0]=3 610 B7R1.2 CC1CCC(=S)N1 Amb27849283 [0,1,0,0,0,0|2,1,0]=4 611 B7R1.2 CC1CCC(Br)C1 Amb26339047 [0,1,0,0,0,0|2,0,1]=4 612 B7R1.2 CC1CCC(Cl)C1 Amb25129430 [0,1,0,0,0,0|2,0,1]=4 613 B7R1.2 CC1CCC(I)C1 Amb27402602 [0,1,0,0,0,0|2,0,1]=4 614 B7R1.2 CC1CCC(N)C1 Amb20669202 [0,1,0,0,0,0|2,0,1]=4 615 B7R1.2 CC1CCC(N)C1 Amb24062164 [0,1,0,0,0,0|2,0,1]=4 616 B7R1.2 CC1CCC(O)C1 Amb4605822 [0,1,0,0,0,0|1,0,2]=4 617 B7R1.2 CC1CCC(S)C1 Amb25829470 [0,1,0,0,0,0|1,1,1]=4 618 B7R1.2 CC1CCN(N)C1 Amb24385963 [0,1,0,0,0,0|2,0,1]=4 619 B7R1.2 CC1CNC(=O)C1 Amb10608004 [0,1,0,0,0,0|2,0,0]=3 620 B7R1.2 CC1CNC(=O)N1 Amb17506853 [0,1,0,0,0,0|3,0,0]=4 621 B7R1.2 CC1CNC(=O)O1 Amb19651732 [0,1,0,0,0,0|3,0,0]=4 622 B7R1.2 CC1CNC(C)C1 Amb17593077 [0,1,0,0,0,0|2,0,1]=4 623 B7R1.2 CC1CNC(C)C1 Amb19335336 [0,1,0,0,0,0|2,0,1]=4 624 B7R1.2 CC1COC(=O)C1 Amb22231914 [0,1,0,0,0,0|2,0,0]=3 625 B7R1.2 CC1COC(=O)N1 Amb19517037 [0,1,0,0,0,0|3,0,0]=4 626 B7R1.2 CC1COC(=O)O1 Amb8513300 [0,1,0,0,0,0|3,0,0]=4 627 B7R1.2 CC1COC(O)C1 Amb28050442 [0,1,0,0,0,0|1,1,1]=4 628 B7R1.2 CC1CSC(=O)N1 Amb28320497 [0,1,0,0,0,0|3,0,0]=4 629 B7R1.2 CC1NC(=O)CS1 Amb27806202 [0,1,0,0,0,0|1,0,0]=2 630 B7R1.2 CC1NCC(=O)N1 Amb28456791 [0,1,0,0,0,0|2,0,0]=3 631 B7R1.2 CC1OC(=O)CS1 Amb25314322 [0,1,0,0,0,0|1,0,0]=2 632 B7R1.2 CN1C=CC(=O)C1 Amb28201569 [0,1,0,0,0,0|1,0,2]=4 633 B7R1.2 CN1CCC(=O)C1 Amb22236123 [0,1,0,0,0,0|1,0,0]=2 634 B7R1.2 CN1CCC(=O)C1 Amb8947873 [0,1,0,0,0,0|1,0,0]=2 635 B7R1.2 CN1CCC(=O)N1 Amb24064860 [0,1,0,0,0,0|2,0,0]=3 636 B7R1.2 CN1CCC(Br)C1 Amb21861157 [0,1,0,0,0,0|2,0,1]=4 637 B7R1.2 CN1CCC(N)=N1 Amb28827647 [0,1,0,0,0,0|3,0,0]=4 638 B7R1.2 CN1CCC(N)C1 Amb10610163 [0,1,0,0,0,0|2,0,1]=4 639 B7R1.2 CN1CCC(N)C1 Amb8948079 [0,1,0,0,0,0|2,0,1]=4 640 B7R1.2 CN1CCC(O)C1 Amb32652719 [0,1,0,0,0,0|1,0,2]=4 641 B7R1.2 CN1CCC(O)C1 Amb8384297 [0,1,0,0,0,0|1,0,2]=4 642 B7R1.2 CN1CCC(S)C1 Amb24383489 [0,1,0,0,0,0|1,1,1]=4 643 B7R1.2 CN1CC[C@@H](Br)C1 Amb22225309 [0,1,0,0,0,0|2,0,1]=4 644 B7R1.2 CN1CC[C@@H](Cl)C1 Amb22225040 [0,1,0,0,0,0|2,0,1]=4 645 B7R1.2 CN1CC[C@@H](I)C1 Amb22225060 [0,1,0,0,0,0|2,0,1]=4 646 B7R1.2 CN1CC[C@@H](N)C1 Amb19891803 [0,1,0,0,0,0|2,0,1]=4 647 B7R1.2 CN1CC[C@@H](N)C1 Amb8386824 [0,1,0,0,0,0|2,0,1]=4 648 B7R1.2 CN1CC[C@@H](O)C1 Amb8386825 [0,1,0,0,0,0|1,0,2]=4 649 B7R1.2 CN1CC[C@H](Br)C1 Amb22226655 [0,1,0,0,0,0|2,0,1]=4 650 B7R1.2 CN1CC[C@H](Cl)C1 Amb22226392 [0,1,0,0,0,0|2,0,1]=4 651 B7R1.2 CN1CC[C@H](I)C1 Amb22226495 [0,1,0,0,0,0|2,0,1]=4 652 B7R1.2 CN1CC[C@H](N)C1 Amb19929627 [0,1,0,0,0,0|2,0,1]=4 653 B7R1.2 CN1CC[C@H](N)C1 Amb20671398 [0,1,0,0,0,0|2,0,1]=4 654 B7R1.2 CN1CC[C@H](O)C1 Amb10070789 [0,1,0,0,0,0|1,0,2]=4 655 B7R1.2 CP1CC[C@H](O)C1 Amb27452496 [0,1,0,0,0,0|1,0,2]=4 656 B7R1.2 C[C@@H]1C=CC(=O)C1 Amb28199837 [0,1,0,0,0,0|1,0,1]=3 657 B7R1.2 C[C@@H]1CCC(=O)C1 Amb10844734 [0,1,0,0,0,0|1,0,0]=2 658 B7R1.2 C[C@@H]1CCC(=O)N1 Amb24116991 [0,1,0,0,0,0|2,0,0]=3 659 B7R1.2 C[C@@H]1CCC(=O)O1 Amb4166301 [0,1,0,0,0,0|2,0,0]=3 660 B7R1.2 C[C@@H]1CC[C@@H](Br)C1 Amb27791803 [0,1,0,0,0,0|2,0,1]=4 661 B7R1.2 C[C@@H]1CC[C@@H](C)C1 Amb25176920 [0,1,0,0,0,0|2,0,1]=4 662 B7R1.2 C[C@@H]1CC[C@H](O)C1 Amb27853110 [0,1,0,0,0,0|1,0,2]=4 663 B7R1.2 C[C@@H]1CNC(=O)C1 Amb22746719 [0,1,0,0,0,0|2,0,0]=3 664 B7R1.2 C[C@@H]1CNC(=O)O1 Amb25041458 [0,1,0,0,0,0|3,0,0]=4 665 B7R1.2 C[C@@H]1CN[C@H](C)C1 Amb18195964 [0,1,0,0,0,0|2,0,1]=4 666 B7R1.2 C[C@@H]1COC(=O)C1 Amb19944613 [0,1,0,0,0,0|2,0,0]=3 667 B7R1.2 C[C@@H]1COC(=O)N1 Amb22745849 [0,1,0,0,0,0|3,0,0]=4 668 B7R1.2 C[C@@H]1COC(=O)O1 Amb8383956 [0,1,0,0,0,0|3,0,0]=4 669 B7R1.2 C[C@@H]1COC(O)C1 Amb27399504 [0,1,0,0,0,0|1,1,1]=4 670 B7R1.2 C[C@@H]1CO[C@@H](O)C1 Amb27422487 [0,1,0,0,0,0|1,1,1]=4 671 B7R1.2 C[C@@H]1C[C@@H](F)CN1 Amb22886338 [0,1,0,0,0,0|2,0,1]=4 672 B7R1.2 C[C@@H]1C[C@@H](N)CN1 Amb27214176 [0,1,0,0,0,0|2,0,1]=4 673 B7R1.2 C[C@@H]1C[C@@H](O)CN1 Amb22746400 [0,1,0,0,0,0|1,0,2]=4 674 B7R1.2 C[C@@H]1C[C@H](F)CN1 Amb22886231 [0,1,0,0,0,0|2,0,1]=4 675 B7R1.2 C[C@@H]1C[C@H](N)CN1 Amb27421394 [0,1,0,0,0,0|2,0,1]=4 676 B7R1.2 C[C@@H]1C[C@H](O)CN1 Amb22886268 [0,1,0,0,0,0|1,0,2]=4 677 B7R1.2 C[C@H]1C=CC(=O)C1 Amb27262978 [0,1,0,0,0,0|1,0,1]=3 678 B7R1.2 C[C@H]1CCC(=O)O1 Amb26539040 [0,1,0,0,0,0|2,0,0]=3 679 B7R1.2 C[C@H]1CC[C@H](C)C1 Amb22747863 [0,1,0,0,0,0|2,0,1]=4 680 B7R1.2 C[C@H]1CNC(=O)C1 Amb26584475 [0,1,0,0,0,0|2,0,0]=3 681 B7R1.2 C[C@H]1CNC(=O)N1 Amb27413051 [0,1,0,0,0,0|3,0,0]=4 682 B7R1.2 C[C@H]1COC(=O)C1 Amb25064301 [0,1,0,0,0,0|2,0,0]=3 683 B7R1.2 C[C@H]1COC(=O)N1 Amb8391158 [0,1,0,0,0,0|3,0,0]=4 684 B7R1.2 C[C@H]1COC(=O)O1 Amb8516313 [0,1,0,0,0,0|3,0,0]=4 685 B7R1.2 C[C@H]1CS[C@@H](C)N1 Amb27222309 [0,1,0,0,0,0|2,0,1]=4 686 B7R1.2 C[C@H]1C[C@@H](N)CN1 Amb26406117 [0,1,0,0,0,0|2,0,1]=4 687 B7R1.2 C[C@H]1C[C@@H](O)CN1 Amb33872130 [0,1,0,0,0,0|1,0,2]=4 688 B7R1.2 C[C@H]1C[C@@H](O)CO1 Amb28245786 [0,1,0,0,0,0|0,1,2]=4 689 B7R1.2 C[C@H]1C[C@@H](O)CS1 Amb27662171 [0,1,0,0,0,0|0,0,2]=3 690 B7R1.2 C[C@H]1C[C@H](O)CN1 Amb33801108 [0,1,0,0,0,0|1,0,2]=4 691 B7R1.2 ClC1=CC(Br)CC1 Amb27232977 [0,1,0,0,0,0|2,0,1]=4 692 B7R1.2 Cl[C@@H]1CC[C@@H](Cl)C1 Amb27478091 [0,1,0,0,0,0|2,0,1]=4 693 B7R1.2 N=C1C=C(O)CS1 Amb27438020 [0,1,0,0,0,0|0,0,3]=4 694 B7R1.2 N=C1CC(=O)CS1 Amb27227202 [0,1,0,0,0,0|0,0,1]=2 695 B7R1.2 N=C1CSC(=O)N1 Amb2537154 [0,1,0,0,0,0|2,0,1]=4 696 B7R1.2 N=C1CSC([NH3+])=N1 Amb24113841 [0,1,0,0,0,0|2,0,1]=4 697 B7R1.2 N=C1N=C(N)CS1 Amb22490404 [0,1,0,0,0,0|2,0,1]=4 698 B7R1.2 N=C1NC(=O)CS1 Amb8468365 [0,1,0,0,0,0|1,0,1]=3 699 B7R1.2 NC1=CC(=O)CC1 Amb9753541 [0,1,0,0,0,0|1,0,1]=3 700 B7R1.2 NC1=CC(=O)CS1 Amb22229937 [0,1,0,0,0,0|0,0,2]=3 701 B7R1.2 NC1=CC(=O)NC1 Amb27454229 [0,1,0,0,0,0|2,0,1]=4 702 B7R1.2 NC1=CC(N)SS1 Amb27655511 [0,1,0,0,0,0|2,0,1]=4 703 B7R1.2 NC1=CCC(=O)N1 Amb25757914 [0,1,0,0,0,0|2,0,1]=4 704 B7R1.2 NC1=NC(=O)CN1 Amb18639307 [0,1,0,0,0,0|2,0,1]=4 705 B7R1.2 NC1=NC(=O)CO1 Amb9797441 [0,1,0,0,0,0|1,1,1]=4 706 B7R1.2 NC1=NC(=O)CS1 Amb6364701 [0,1,0,0,0,0|1,0,1]=3 707 B7R1.2 NC1=NC(=O)NC1 Amb22059492 [0,1,0,0,0,0|3,0,0]=4 708 B7R1.2 NC1=NC(=S)SC1 Amb27842408 [0,1,0,0,0,0|2,0,1]=4 709 B7R1.2 NC1=NCC(=O)N1 Amb21964674 [0,1,0,0,0,0|2,0,1]=4 710 B7R1.2 NC1=NCC(=O)N1 Amb475286 [0,1,0,0,0,0|2,0,1]=4 711 B7R1.2 NC1=NCC(=O)S1 Amb25810910 [0,1,0,0,0,0|2,0,1]=4 712 B7R1.2 NC1=NNC(=O)C1 Amb6409420 [0,1,0,0,0,0|2,0,1]=4 713 B7R1.2 NC1C=CC(=O)C1 Amb27445487 [0,1,0,0,0,0|1,0,1]=3 714 B7R1.2 NC1CCC(=O)C1 Amb22494268 [0,1,0,0,0,0|1,0,0]=2 715 B7R1.2 NC1CCC(=O)N1 Amb24480433 [0,1,0,0,0,0|2,0,0]=3 716 B7R1.2 NC1CCC(=O)O1 Amb17593085 [0,1,0,0,0,0|2,0,0]=3 717 B7R1.2 NC1CCC(F)C1 Amb23455257 [0,1,0,0,0,0|2,0,1]=4 718 B7R1.2 NC1CCC(F)C1 Amb32652021 [0,1,0,0,0,0|2,0,1]=4 719 B7R1.2 NC1CCC(N)C1 Amb22227723 [0,1,0,0,0,0|2,0,1]=4 720 B7R1.2 NC1CCC(N)C1 Amb32667170 [0,1,0,0,0,0|2,0,1]=4 721 B7R1.2 NC1CCC(N)C1 Amb32667206 [0,1,0,0,0,0|2,0,1]=4 722 B7R1.2 NC1CCC(O)C1 Amb18561405 [0,1,0,0,0,0|1,0,2]=4 723 B7R1.2 NC1CCC(O)C1 Amb19958405 [0,1,0,0,0,0|1,0,2]=4 724 B7R1.2 NC1CCC(S)C1 Amb32788711 [0,1,0,0,0,0|1,1,1]=4 725 B7R1.2 NC1CCS(=O)C1 Amb19149072 [0,1,0,0,0,0|2,0,0]=3 726 B7R1.2 NC1CCS(=O)C1 Amb25133789 [0,1,0,0,0,0|2,0,0]=3 727 B7R1.2 NC1CNC(=O)C1 Amb17760661 [0,1,0,0,0,0|2,0,0]=3 728 B7R1.2 NC1CNC(=O)C1 Amb33544169 [0,1,0,0,0,0|2,0,0]=3 729 B7R1.2 NC1COC(=O)C1 Amb30594428 [0,1,0,0,0,0|2,0,0]=3 730 B7R1.2 NC1COC(=O)C1 Amb9782136 [0,1,0,0,0,0|2,0,0]=3 731 B7R1.2 NC1CSC(=O)N1 Amb27596093 [0,1,0,0,0,0|3,0,0]=4 732 B7R1.2 NC1N=CC(=O)S1 Amb27589031 [0,1,0,0,0,0|2,0,1]=4 733 B7R1.2 NN1CCC(F)C1 Amb29849481 [0,1,0,0,0,0|2,0,1]=4 734 B7R1.2 NN1CC[C@H](O)C1 Amb27597182 [0,1,0,0,0,0|1,0,2]=4 735 B7R1.2 N[C@@H]1CC[C@@H](F)C1 Amb25967798 [0,1,0,0,0,0|2,0,1]=4 736 B7R1.2 N[C@@H]1CC[C@@H](N)C1 Amb26601894 [0,1,0,0,0,0|2,0,1]=4 737 B7R1.2 N[C@@H]1CC[C@@H](N)C1 Amb33813727 [0,1,0,0,0,0|2,0,1]=4 738 B7R1.2 N[C@@H]1CC[C@@H](O)C1 Amb10066961 [0,1,0,0,0,0|1,0,2]=4 739 B7R1.2 N[C@@H]1CC[C@@H](O)C1 Amb16233749 [0,1,0,0,0,0|1,0,2]=4 740 B7R1.2 N[C@@H]1CC[C@H](F)C1 Amb24499537 [0,1,0,0,0,0|2,0,1]=4 741 B7R1.2 N[C@@H]1CC[C@H](O)C1 Amb10066973 [0,1,0,0,0,0|1,0,2]=4 742 B7R1.2 N[C@@H]1CC[C@H](O)C1 Amb22406236 [0,1,0,0,0,0|1,0,2]=4 743 B7R1.2 N[C@@H]1CNC(=O)C1 Amb22226165 [0,1,0,0,0,0|2,0,0]=3 744 B7R1.2 N[C@@H]1CNC(=O)C1 Amb22756464 [0,1,0,0,0,0|2,0,0]=3 745 B7R1.2 N[C@@H]1CNC(=O)C1 Amb33714529 [0,1,0,0,0,0|2,0,0]=3 746 B7R1.2 N[C@@H]1COC(=O)C1 Amb16233747 [0,1,0,0,0,0|2,0,0]=3 747 B7R1.2 N[C@@H]1COC(=O)C1 Amb26477774 [0,1,0,0,0,0|2,0,0]=3 748 B7R1.2 N[C@H]1CCC(=O)N1 Amb27482175 [0,1,0,0,0,0|2,0,0]=3 749 B7R1.2 N[C@H]1CC[C@@H](F)C1 Amb22886175 [0,1,0,0,0,0|2,0,1]=4 750 B7R1.2 N[C@H]1CC[C@@H](F)C1 Amb25228459 [0,1,0,0,0,0|2,0,1]=4 751 B7R1.2 N[C@H]1CC[C@@H](N)C1 Amb22746716 [0,1,0,0,0,0|2,0,1]=4 752 B7R1.2 N[C@H]1CC[C@@H](N)C1 Amb22746800 [0,1,0,0,0,0|2,0,1]=4 753 B7R1.2 N[C@H]1CC[C@@H](O)C1 Amb10066971 [0,1,0,0,0,0|1,0,2]=4 754 B7R1.2 N[C@H]1CC[C@@H](O)C1 Amb22274622 [0,1,0,0,0,0|1,0,2]=4 755 B7R1.2 N[C@H]1CC[C@@H](O)C1 Amb34916039 [0,1,0,0,0,0|1,0,2]=4 756 B7R1.2 N[C@H]1CC[C@H](F)C1 Amb28128275 [0,1,0,0,0,0|2,0,1]=4 757 B7R1.2 N[C@H]1CC[C@H](N)C1 Amb22823163 [0,1,0,0,0,0|2,0,1]=4 758 B7R1.2 N[C@H]1CC[C@H](O)C1 Amb10066972 [0,1,0,0,0,0|1,0,2]=4 759 B7R1.2 N[C@H]1CC[C@H](O)C1 Amb22386861 [0,1,0,0,0,0|1,0,2]=4 760 B7R1.2 N[C@H]1CNC(=O)C1 Amb22225365 [0,1,0,0,0,0|2,0,0]=3 761 B7R1.2 N[C@H]1CNC(=O)C1 Amb33801336 [0,1,0,0,0,0|2,0,0]=3 762 B7R1.2 N[C@H]1COC(=O)C1 Amb19516097 [0,1,0,0,0,0|2,0,0]=3 763 B7R1.2 N[C@H]1COC(=O)C1 Amb25264112 [0,1,0,0,0,0|2,0,0]=3 764 B7R1.2 O=C1C=C(Br)CC1 Amb23399816 [0,1,0,0,0,0|1,0,1]=3 765 B7R1.2 O=C1C=C(Br)CN1 Amb23402184 [0,1,0,0,0,0|2,0,1]=4 766 B7R1.2 O=C1C=C(Br)CO1 Amb10067500 [0,1,0,0,0,0|2,0,1]=4 767 B7R1.2 O=C1C=C(Cl)CC1 Amb9753542 [0,1,0,0,0,0|1,0,1]=3 768 B7R1.2 O=C1C=C(I)CO1 Amb2455617 [0,1,0,0,0,0|2,0,1]=4 769 B7R1.2 O=C1C=C(O)CC1 Amb9901808 [0,1,0,0,0,0|1,0,1]=3 770 B7R1.2 O=C1C=C(O)CN1 Amb20623530 [0,1,0,0,0,0|2,0,1]=4 771 B7R1.2 O=C1C=C(O)CO1 Amb628324 [0,1,0,0,0,0|2,0,1]=4 772 B7R1.2 O=C1C=C(S)CO1 Amb28323506 [0,1,0,0,0,0|2,0,1]=4 773 B7R1.2 O=C1C=C(S)CS1 Amb27877546 [0,1,0,0,0,0|0,1,2]=4 774 B7R1.2 O=C1C=CC(=O)C1 Amb22338203 [0,1,0,0,0,0|1,0,2]=4 775 B7R1.2 O=C1C=CC(Br)C1 Amb27809803 [0,1,0,0,0,0|1,0,1]=3 776 B7R1.2 O=C1C=CC(Br)O1 Amb22001603 [0,1,0,0,0,0|2,0,1]=4 777 B7R1.2 O=C1C=CC(Br)S1 Amb26530759 [0,1,0,0,0,0|2,0,1]=4 778 B7R1.2 O=C1C=CC(Cl)O1 Amb27760027 [0,1,0,0,0,0|2,0,1]=4 779 B7R1.2 O=C1C=CC(Cl)S1 Amb28428650 [0,1,0,0,0,0|2,0,1]=4 780 B7R1.2 O=C1C=CC(F)O1 Amb27778280 [0,1,0,0,0,0|2,0,1]=4 781 B7R1.2 O=C1C=CC(O)C1 Amb9782767 [0,1,0,0,0,0|1,0,1]=3 782 B7R1.2 O=C1C=CC(O)N1 Amb27978638 [0,1,0,0,0,0|2,0,1]=4 783 B7R1.2 O=C1C=CC(O)O1 Amb24544763 [0,1,0,0,0,0|2,0,1]=4 784 B7R1.2 O=C1C=C[C@@H](O)C1 Amb27256512 [0,1,0,0,0,0|1,0,1]=3 785 B7R1.2 O=C1C=C[C@H](Cl)C1 Amb27984687 [0,1,0,0,0,0|1,0,1]=3 786 B7R1.2 O=C1C=C[C@H](O)C1 Amb2694980 [0,1,0,0,0,0|1,0,1]=3 787 B7R1.2 O=C1C=NC(S)S1 Amb22734244 [0,1,0,0,0,0|2,0,1]=4 788 B7R1.2 O=C1CC(=O)NN1 Amb9809314 [0,1,0,0,0,0|2,0,1]=4 789 B7R1.2 O=C1CC(=O)ON1 Amb33714889 [0,1,0,0,0,0|1,1,1]=4 790 B7R1.2 O=C1CC(Br)=CO1 Amb27263920 [0,1,0,0,0,0|2,0,1]=4 791 B7R1.2 O=C1CC(Cl)=CS1 Amb27239976 [0,1,0,0,0,0|1,0,2]=4 792 B7R1.2 O=C1CC(F)CO1 Amb24431109 [0,1,0,0,0,0|2,0,0]=3 793 B7R1.2 O=C1CC(I)CO1 Amb27401189 [0,1,0,0,0,0|2,0,0]=3 794 B7R1.2 O=C1CC(O)CN1 Amb19958404 [0,1,0,0,0,0|2,0,0]=3 795 B7R1.2 O=C1CC(O)CO1 Amb4006296 [0,1,0,0,0,0|2,0,0]=3 796 B7R1.2 O=C1CC(S)CN1 Amb25685875 [0,1,0,0,0,0|2,0,0]=3 797 B7R1.2 O=C1CC=C(Br)S1 Amb25961289 [0,1,0,0,0,0|2,0,1]=4 798 B7R1.2 O=C1CC=C(S)S1 Amb27621600 [0,1,0,0,0,0|2,0,1]=4 799 B7R1.2 O=C1CCC(=O)C1 Amb2696524 [0,1,0,0,0,0|1,0,0]=2 800 B7R1.2 O=C1CCC(=O)N1 Amb2793049 [0,1,0,0,0,0|2,0,0]=3 801 B7R1.2 O=C1CCC(=O)O1 Amb2793017 [0,1,0,0,0,0|2,0,0]=3 802 B7R1.2 O=C1CCC(=O)S1 Amb2691584 [0,1,0,0,0,0|2,0,0]=3 803 B7R1.2 O=C1CCC(=S)N1 Amb28122939 [0,1,0,0,0,0|2,0,0]=3 804 B7R1.2 O=C1CCC(Br)C1 Amb24334292 [0,1,0,0,0,0|1,0,0]=2 805 B7R1.2 O=C1CCC(Br)N1 Amb27592181 [0,1,0,0,0,0|2,0,0]=3 806 B7R1.2 O=C1CCC(Br)O1 Amb24556526 [0,1,0,0,0,0|2,0,0]=3 807 B7R1.2 O=C1CCC(Cl)C1 Amb26585347 [0,1,0,0,0,0|1,0,0]=2 808 B7R1.2 O=C1CCC(Cl)O1 Amb27477474 [0,1,0,0,0,0|2,0,0]=3 809 B7R1.2 O=C1CCC(F)C1 Amb21963553 [0,1,0,0,0,0|1,0,0]=2 810 B7R1.2 O=C1CCC(O)C1 Amb22057378 [0,1,0,0,0,0|1,0,0]=2 811 B7R1.2 O=C1CCC(O)O1 Amb22740957 [0,1,0,0,0,0|2,0,0]=3 812 B7R1.2 O=C1CCS(=O)C1 Amb27199097 [0,1,0,0,0,0|0,0,1]=2 813 B7R1.2 O=C1CC[C@@H](O)C1 Amb27432638 [0,1,0,0,0,0|1,0,0]=2 814 B7R1.2 O=C1CC[C@@H](O)N1 Amb27458284 [0,1,0,0,0,0|2,0,0]=3 815 B7R1.2 O=C1CC[C@H](O)C1 Amb27804552 [0,1,0,0,0,0|1,0,0]=2 816 B7R1.2 O=C1CC[C@H](O)N1 Amb27881572 [0,1,0,0,0,0|2,0,0]=3 817 B7R1.2 O=C1CN(Cl)CN1 Amb27795741 [0,1,0,0,0,0|2,0,0]=3 818 B7R1.2 O=C1CN=C(S)N1 Amb22058713 [0,1,0,0,0,0|2,0,1]=4 819 B7R1.2 O=C1CNC(=O)C1 Amb18202984 [0,1,0,0,0,0|1,0,1]=3 820 B7R1.2 O=C1CNC(=O)N1 Amb3598086 [0,1,0,0,0,0|2,0,1]=4 821 B7R1.2 O=C1CNC(=O)O1 Amb2695392 [0,1,0,0,0,0|2,0,1]=4 822 B7R1.2 O=C1CNC(=O)S1 Amb22372196 [0,1,0,0,0,0|2,0,1]=4 823 B7R1.2 O=C1CNC(=S)N1 Amb1151361 [0,1,0,0,0,0|2,0,1]=4 824 B7R1.2 O=C1CNC(=S)O1 Amb27393154 [0,1,0,0,0,0|2,0,1]=4 825 B7R1.2 O=C1CNC(=S)S1 Amb621648 [0,1,0,0,0,0|2,0,1]=4 826 B7R1.2 O=C1CNC(S)S1 Amb24460897 [0,1,0,0,0,0|2,0,0]=3 827 B7R1.2 O=C1COC(=O)C1 Amb2721303 [0,1,0,0,0,0|0,1,1]=3 828 B7R1.2 O=C1COC(=O)N1 Amb1625991 [0,1,0,0,0,0|1,1,1]=4 829 B7R1.2 O=C1COC(=O)O1 Amb27837383 [0,1,0,0,0,0|1,1,1]=4 830 B7R1.2 O=C1COC(=O)[N-]1 Amb32656005 [0,1,0,0,0,0|1,1,1]=4 831 B7R1.2 O=C1COC(Br)=N1 Amb29849631 [0,1,0,0,0,0|1,1,1]=4 832 B7R1.2 O=C1COC(I)=N1 Amb29849639 [0,1,0,0,0,0|1,1,1]=4 833 B7R1.2 O=C1CSC(=O)C1 Amb22731927 [0,1,0,0,0,0|0,0,1]=2 834 B7R1.2 O=C1CSC(=O)N1 Amb1853667 [0,1,0,0,0,0|1,0,1]=3 835 B7R1.2 O=C1CSC(=O)[N-]1 Amb435911 [0,1,0,0,0,0|1,0,1]=3 836 B7R1.2 O=C1CSC(=S)N1 Amb1008361 [0,1,0,0,0,0|1,0,1]=3 837 B7R1.2 O=C1CSC(Br)=N1 Amb29850234 [0,1,0,0,0,0|1,0,1]=3 838 B7R1.2 O=C1CSC(Cl)=N1 Amb29850164 [0,1,0,0,0,0|1,0,1]=3 839 B7R1.2 O=C1CSC(S)=N1 Amb837069 [0,1,0,0,0,0|1,0,1]=3 840 B7R1.2 O=C1C[C@@H](O)CN1 Amb15691722 [0,1,0,0,0,0|2,0,0]=3 841 B7R1.2 O=C1C[C@@H](O)CO1 Amb2695144 [0,1,0,0,0,0|2,0,0]=3 842 B7R1.2 O=C1C[C@@H](S)CN1 Amb22225368 [0,1,0,0,0,0|2,0,0]=3 843 B7R1.2 O=C1C[C@H](O)CN1 Amb8386060 [0,1,0,0,0,0|2,0,0]=3 844 B7R1.2 O=C1C[C@H](O)CO1 Amb8627913 [0,1,0,0,0,0|2,0,0]=3 845 B7R1.2 O=C1C[C@H](S)CN1 Amb22226251 [0,1,0,0,0,0|2,0,0]=3 846 B7R1.2 O=C1NC(=S)CO1 Amb28384997 [0,1,0,0,0,0|3,0,0]=4 847 B7R1.2 O=C1NC(=S)CS1 Amb2469502 [0,1,0,0,0,0|1,1,1]=4 848 B7R1.2 O=C1NCC(=S)N1 Amb2794498 [0,1,0,0,0,0|3,0,0]=4 849 B7R1.2 O=C1NCC(=S)S1 Amb27785367 [0,1,0,0,0,0|3,0,0]=4 850 B7R1.2 O=C1OC(O)CS1 Amb28066979 [0,1,0,0,0,0|3,0,0]=4 851 B7R1.2 O=C1OCC(Cl)O1 Amb10842117 [0,1,0,0,0,0|3,0,0]=4 852 B7R1.2 O=C1OCC(F)O1 Amb10841016 [0,1,0,0,0,0|3,0,0]=4 853 B7R1.2 O=S1CCC(Br)C1 Amb27872345 [0,1,0,0,0,0|2,0,0]=3 854 B7R1.2 O=S1CCC(O)C1 Amb26600157 [0,1,0,0,0,0|2,0,0]=3 855 B7R1.2 O=S1CCS(=O)C1 Amb27217021 [0,1,0,0,0,0|1,0,1]=3 856 B7R1.2 O=S1CC[C@@H](O)C1 Amb28191911 [0,1,0,0,0,0|2,0,0]=3 857 B7R1.2 OC1C=C(Br)CC1 Amb8391790 [0,1,0,0,0,0|2,0,1]=4 858 B7R1.2 OC1C=C(I)CC1 Amb26903566 [0,1,0,0,0,0|2,0,1]=4 859 B7R1.2 OC1CC=C(Br)C1 Amb25662365 [0,1,0,0,0,0|2,0,1]=4 860 B7R1.2 OC1CCC(O)C1 Amb8513837 [0,1,0,0,0,0|1,0,2]=4 861 B7R1.2 OC1CCN(O)C1 Amb27430271 [0,1,0,0,0,0|1,0,2]=4 862 B7R1.2 OC1C[C@H](O)CO1 Amb27650382 [0,1,0,0,0,0|0,1,2]=4 863 B7R1.2 O[C@@H]1C=C(Br)CC1 Amb24479014 [0,1,0,0,0,0|2,0,1]=4 864 B7R1.2 O[C@@H]1CC[C@@H](O)C1 Amb24519755 [0,1,0,0,0,0|1,0,2]=4 865 B7R1.2 O[C@@H]1CO[C@@H](O)C1 Amb27478741 [0,1,0,0,0,0|0,1,2]=4 866 B7R1.2 O[C@@H]1CO[C@H](O)C1 Amb27797261 [0,1,0,0,0,0|0,1,2]=4 867 B7R1.2 O[C@H]1C=C(Br)CC1 Amb27213930 [0,1,0,0,0,0|2,0,1]=4 868 B7R1.2 O[C@H]1CC[C@@H](O)C1 Amb26035335 [0,1,0,0,0,0|1,0,2]=4 869 B7R1.2 O[C@H]1CC[C@H](O)C1 Amb26400686 [0,1,0,0,0,0|1,0,2]=4 870 B7R1.2 S=C1CC(Cl)=CS1 Amb27186087 [0,1,0,0,0,0|1,0,2]=4 871 B7R1.2 S=C1CCC(=S)N1 Amb24479225 [0,1,0,0,0,0|2,1,0]=4 872 B7R1.2 S=C1CSC(=S)N1 Amb2794521 [0,1,0,0,0,0|1,1,1]=4 873 B7R1.2 [NH3+]C1CNC(=O)C1 Amb24112953 [0,1,0,0,0,0|2,0,0]=3 874 B7R1.4 BrC1=C(Br)CCC1 Amb8389430 [0,1,0,0,0,0|2,0,1]=4 875 B7R1.4 BrC1CCCC1Br Amb9787330 [0,1,0,0,0,0|2,0,1]=4 876 B7R1.4 BrC1CCOC1Br Amb17673849 [0,1,0,0,0,0|1,1,1]=4 877 B7R1.4 BrC1CSCC1Br Amb27423459 [0,1,0,0,0,0|1,0,1]=3 878 B7R1.4 Br[C@@H]1CCC[C@H]1Br Amb26627934 [0,1,0,0,0,0|2,0,1]=4 879 B7R1.4 C=C1CCCC1=O Amb17593061 [0,1,0,0,0,0|1,0,1]=3 880 B7R1.4 C=C1CCNC1=O Amb26415156 [0,1,0,0,0,0|2,0,1]=4 881 B7R1.4 C=C1CCOC1=O Amb3941636 [0,1,0,0,0,0|1,1,1]=4 882 B7R1.4 C=C1CNCC1=C Amb17593055 [0,1,0,0,0,0|2,0,1]=4 883 B7R1.4 C=C1CNCC1C Amb28197991 [0,1,0,0,0,0|2,0,0]=3 884 B7R1.4 C=C1COCC1=C Amb27838190 [0,1,0,0,0,0|1,1,1]=4 885 B7R1.4 C=C1COCC1N Amb31252146 [0,1,0,0,0,0|1,1,0]=3 886 B7R1.4 C=C1COCC1N Amb32795022 [0,1,0,0,0,0|1,1,0]=3 887 B7R1.4 C=C1COCC1O Amb24423437 [0,1,0,0,0,0|1,1,0]=3 888 B7R1.4 CC1=C(Br)CCC1 Amb24479762 [0,1,0,0,0,0|2,0,1]=4 889 B7R1.4 CC1=C(C)CCC1 Amb22227705 [0,1,0,0,0,0|2,0,1]=4 890 B7R1.4 CC1=C(C)CNC1 Amb28326117 [0,1,0,0,0,0|2,0,1]=4 891 B7R1.4 CC1=C(S)CCO1 Amb16232456 [0,1,0,0,0,0|0,2,1]=4 892 B7R1.4 CC1=CCCC1=O Amb8514958 [0,1,0,0,0,0|1,0,1]=3 893 B7R1.4 CC1=CCCC1C Amb24479857 [0,1,0,0,0,0|2,0,1]=4 894 B7R1.4 CC1=CCCC1O Amb25220686 [0,1,0,0,0,0|2,0,1]=4 895 B7R1.4 CC1=CCNC1C Amb27975662 [0,1,0,0,0,0|2,0,1]=4 896 B7R1.4 CC1=CCOC1=O Amb16231256 [0,1,0,0,0,0|2,0,1]=4 897 B7R1.4 CC1=CCSC1=S Amb27633752 [0,1,0,0,0,0|1,0,2]=4 898 B7R1.4 CC1=[N+](C)CCS1 Amb24060954 [0,1,0,0,0,0|2,0,1]=4 899 B7R1.4 CC1C=COC1=O Amb27862334 [0,1,0,0,0,0|2,0,1]=4 900 B7R1.4 CC1C=NNC1=O Amb22232312 [0,1,0,0,0,0|2,0,1]=4 901 B7R1.4 CC1CCCC1=O Amb8514830 [0,1,0,0,0,0|1,0,0]=2 902 B7R1.4 CC1CCCC1=S Amb27483022 [0,1,0,0,0,0|1,1,0]=3 903 B7R1.4 CC1CCCC1Br Amb18180261 [0,1,0,0,0,0|2,0,1]=4 904 B7R1.4 CC1CCCC1C Amb4019559 [0,1,0,0,0,0|2,0,1]=4 905 B7R1.4 CC1CCCC1Cl Amb27853965 [0,1,0,0,0,0|2,0,1]=4 906 B7R1.4 CC1CCCC1N Amb33548666 [0,1,0,0,0,0|2,0,1]=4 907 B7R1.4 CC1CCCC1N Amb9776219 [0,1,0,0,0,0|2,0,1]=4 908 B7R1.4 CC1CCCC1O Amb22052652 [0,1,0,0,0,0|1,0,2]=4 909 B7R1.4 CC1CCCC1S Amb26021537 [0,1,0,0,0,0|1,1,1]=4 910 B7R1.4 CC1CCCN1N Amb25068361 [0,1,0,0,0,0|3,0,0]=4 911 B7R1.4 CC1CCNC1=O Amb10603701 [0,1,0,0,0,0|2,0,0]=3 912 B7R1.4 CC1CCNC1C Amb18277375 [0,1,0,0,0,0|2,0,1]=4 913 B7R1.4 CC1CCNC1C Amb20623813 [0,1,0,0,0,0|2,0,1]=4 914 B7R1.4 CC1CCOC1=O Amb16185414 [0,1,0,0,0,0|2,0,0]=3 915 B7R1.4 CC1CNCC1C Amb18121224 [0,1,0,0,0,0|2,0,1]=4 916 B7R1.4 CC1CNCC1C Amb19149226 [0,1,0,0,0,0|2,0,1]=4 917 B7R1.4 CC1CNCC1F Amb27595797 [0,1,0,0,0,0|2,0,1]=4 918 B7R1.4 CC1CNCC1N Amb24070522 [0,1,0,0,0,0|2,0,1]=4 919 B7R1.4 CC1CNCC1N Amb32682475 [0,1,0,0,0,0|2,0,1]=4 920 B7R1.4 CC1CNCC1O Amb22886911 [0,1,0,0,0,0|1,0,2]=4 921 B7R1.4 CC1CNCC1O Amb25792196 [0,1,0,0,0,0|1,0,2]=4 922 B7R1.4 CC1CNN=C1N Amb27257625 [0,1,0,0,0,0|3,0,0]=4 923 B7R1.4 CC1CNNC1=O Amb27228083 [0,1,0,0,0,0|2,0,0]=3 924 B7R1.4 CC1COCC1=O Amb24333426 [0,1,0,0,0,0|0,1,0]=2 925 B7R1.4 CC1COCC1Br Amb35736874 [0,1,0,0,0,0|1,1,1]=4 926 B7R1.4 CC1COCC1Cl Amb35631934 [0,1,0,0,0,0|1,1,1]=4 927 B7R1.4 CC1COCC1N Amb26929448 [0,1,0,0,0,0|1,1,1]=4 928 B7R1.4 CC1COCC1O Amb26864629 [0,1,0,0,0,0|0,1,2]=4 929 B7R1.4 CC1COCC1S Amb32788669 [0,1,0,0,0,0|0,2,1]=4 930 B7R1.4 CC1CON=C1N Amb27404510 [0,1,0,0,0,0|2,1,0]=4 931 B7R1.4 CC1CONC1=O Amb33714888 [0,1,0,0,0,0|1,1,0]=3 932 B7R1.4 CC1CSCC1=O Amb21964769 [0,1,0,0,0,0|0,0,0]=1 933 B7R1.4 CC1CSCC1Br Amb27252722 [0,1,0,0,0,0|1,0,1]=3 934 B7R1.4 CC1CSCC1N Amb18202602 [0,1,0,0,0,0|1,0,1]=3 935 B7R1.4 CC1CSCC1S Amb24386420 [0,1,0,0,0,0|0,1,1]=3 936 B7R1.4 CC1NC=CC1=O Amb28201187 [0,1,0,0,0,0|1,0,2]=4 937 B7R1.4 CC1NCCC1=O Amb26950680 [0,1,0,0,0,0|1,0,0]=2 938 B7R1.4 CC1NCCC1=O Amb32410228 [0,1,0,0,0,0|1,0,0]=2 939 B7R1.4 CC1NCCC1O Amb27838277 [0,1,0,0,0,0|1,0,2]=4 940 B7R1.4 CC1NCCC1O Amb32882554 [0,1,0,0,0,0|1,0,2]=4 941 B7R1.4 CC1NCCN1C Amb27805583 [0,1,0,0,0,0|3,0,0]=4 942 B7R1.4 CC1OC=CC1=O Amb28053998 [0,1,0,0,0,0|0,1,2]=4 943 B7R1.4 CC1OCCC1=O Amb2725497 [0,1,0,0,0,0|0,1,0]=2 944 B7R1.4 CC1OCCC1Br Amb25073861 [0,1,0,0,0,0|1,1,1]=4 945 B7R1.4 CC1OCCC1Cl Amb24470094 [0,1,0,0,0,0|1,1,1]=4 946 B7R1.4 CC1OCCC1N Amb22058722 [0,1,0,0,0,0|1,1,1]=4 947 B7R1.4 CC1OCCC1N Amb32660981 [0,1,0,0,0,0|1,1,1]=4 948 B7R1.4 CC1OCCC1O Amb25888399 [0,1,0,0,0,0|0,1,2]=4 949 B7R1.4 CC1OCCC1S Amb8515792 [0,1,0,0,0,0|0,2,1]=4 950 B7R1.4 CC1OCNC1=O Amb28046854 [0,1,0,0,0,0|1,1,0]=3 951 B7R1.4 CC1SCCC1=O Amb8392845 [0,1,0,0,0,0|0,0,0]=1 952 B7R1.4 CC1SCCC1=S Amb27792245 [0,1,0,0,0,0|0,1,0]=2 953 B7R1.4 CC1SCCC1Cl Amb28144167 [0,1,0,0,0,0|1,0,1]=3 954 B7R1.4 CC1SCCC1N Amb20623835 [0,1,0,0,0,0|1,0,1]=3 955 B7R1.4 CC1SCCC1N Amb28827634 [0,1,0,0,0,0|1,0,1]=3 956 B7R1.4 CC1SCCC1O Amb20623836 [0,1,0,0,0,0|0,0,2]=3 957 B7R1.4 CC1SCCC1S Amb26335064 [0,1,0,0,0,0|0,1,1]=3 958 B7R1.4 CC1SCC[C@@H]1O Amb20623838 [0,1,0,0,0,0|0,0,2]=3 959 B7R1.4 CC1SCC[C@H]1O Amb20623837 [0,1,0,0,0,0|0,0,2]=3 960 B7R1.4 CC1SCNC1=O Amb27211661 [0,1,0,0,0,0|1,0,0]=2 961 B7R1.4 CN1CC=CC1=O Amb22372248 [0,1,0,0,0,0|2,0,1]=4 962 B7R1.4 CN1CCCC1=N Amb20669437 [0,1,0,0,0,0|3,0,0]=4 963 B7R1.4 CN1CCCC1=O Amb22493780 [0,1,0,0,0,0|2,0,0]=3 964 B7R1.4 CN1CCCC1=O Amb6608842 [0,1,0,0,0,0|2,0,0]=3 965 B7R1.4 CN1CCCC1=S Amb10562641 [0,1,0,0,0,0|2,1,0]=4 966 B7R1.4 CN1CCCC1N Amb27631265 [0,1,0,0,0,0|3,0,0]=4 967 B7R1.4 CN1CCNC1=O Amb5718647 [0,1,0,0,0,0|3,0,0]=4 968 B7R1.4 CN1CCOC1=O Amb22347786 [0,1,0,0,0,0|3,0,0]=4 969 B7R1.4 CN1CCSC1=N Amb3318644 [0,1,0,0,0,0|2,0,1]=4 970 B7R1.4 CN1CCSC1=N Amb4286381 [0,1,0,0,0,0|2,0,1]=4 971 B7R1.4 CN1CCSC1=S Amb17845152 [0,1,0,0,0,0|2,0,1]=4 972 B7R1.4 CN1CNCC1=O Amb26582942 [0,1,0,0,0,0|2,0,0]=3 973 B7R1.4 CN1CNCC1=O Amb28827643 [0,1,0,0,0,0|2,0,0]=3 974 B7R1.4 CN1N=CCC1=O Amb22233815 [0,1,0,0,0,0|2,0,1]=4 975 B7R1.4 CN1NCCC1=O Amb18559311 [0,1,0,0,0,0|2,0,0]=3 976 B7R1.4 CN1SC=CC1=O Amb19133167 [0,1,0,0,0,0|1,0,2]=4 977 B7R1.4 CN1SC=CC1=O Amb20239425 [0,1,0,0,0,0|1,0,2]=4 978 B7R1.4 CN1SC=CC1=O Amb31289633 [0,1,0,0,0,0|1,0,2]=4 979 B7R1.4 C[C@@H]1CCCN1N Amb26843100 [0,1,0,0,0,0|3,0,0]=4 980 B7R1.4 C[C@@H]1CCC[C@@H]1N Amb22886234 [0,1,0,0,0,0|2,0,1]=4 981 B7R1.4 C[C@@H]1CCC[C@@H]1N Amb24540316 [0,1,0,0,0,0|2,0,1]=4 982 B7R1.4 C[C@@H]1CCC[C@@H]1O Amb22886799 [0,1,0,0,0,0|1,0,2]=4 983 B7R1.4 C[C@@H]1CCC[C@H]1C Amb22227630 [0,1,0,0,0,0|2,0,1]=4 984 B7R1.4 C[C@@H]1CCC[C@H]1N Amb27858497 [0,1,0,0,0,0|2,0,1]=4 985 B7R1.4 C[C@@H]1CCC[C@H]1O Amb8513780 [0,1,0,0,0,0|1,0,2]=4 986 B7R1.4 C[C@@H]1CCNC1=O Amb22748230 [0,1,0,0,0,0|2,0,0]=3 987 B7R1.4 C[C@@H]1CCN[C@@H]1C Amb24117059 [0,1,0,0,0,0|2,0,1]=4 988 B7R1.4 C[C@@H]1CCOC1O Amb28074771 [0,1,0,0,0,0|1,1,1]=4 989 B7R1.4 C[C@@H]1CCO[C@H]1O Amb27857930 [0,1,0,0,0,0|1,1,1]=4 990 B7R1.4 C[C@@H]1CNC[C@@H]1C Amb22757862 [0,1,0,0,0,0|2,0,1]=4 991 B7R1.4 C[C@@H]1CNC[C@@H]1F Amb22886189 [0,1,0,0,0,0|2,0,1]=4 992 B7R1.4 C[C@@H]1CNC[C@@H]1F Amb25947246 [0,1,0,0,0,0|2,0,1]=4 993 B7R1.4 C[C@@H]1CNC[C@@H]1N Amb25988639 [0,1,0,0,0,0|2,0,1]=4 994 B7R1.4 C[C@@H]1CNC[C@@H]1O Amb22886215 [0,1,0,0,0,0|1,0,2]=4 995 B7R1.4 C[C@@H]1CNC[C@H]1C Amb22757861 [0,1,0,0,0,0|2,0,1]=4 996 B7R1.4 C[C@@H]1CNC[C@H]1O Amb22886846 [0,1,0,0,0,0|1,0,2]=4 997 B7R1.4 C[C@@H]1CNC[C@H]1O Amb25110287 [0,1,0,0,0,0|1,0,2]=4 998 B7R1.4 C[C@@H]1COC[C@@H]1O Amb22886816 [0,1,0,0,0,0|0,1,2]=4 999 B7R1.4 C[C@@H]1COC[C@H]1N Amb24353575 [0,1,0,0,0,0|1,1,1]=4 1000 B7R1.4 C[C@@H]1COC[C@H]1N Amb30869718 [0,1,0,0,0,0|1,1,1]=4 1001 B7R1.4 C[C@@H]1COC[C@H]1O Amb22886616 [0,1,0,0,0,0|0,1,2]=4 1002 B7R1.4 C[C@@H]1CSC[C@@H]1O Amb27422447 [0,1,0,0,0,0|0,0,2]=3 1003 B7R1.4 C[C@@H]1NCCC1=O Amb18197575 [0,1,0,0,0,0|1,0,0]=2 1004 B7R1.4 C[C@@H]1NCCC1N Amb18202992 [0,1,0,0,0,0|2,0,1]=4 1005 B7R1.4 C[C@@H]1NCCC1O Amb18202778 [0,1,0,0,0,0|1,0,2]=4 1006 B7R1.4 C[C@@H]1NCC[C@@H]1O Amb24425021 [0,1,0,0,0,0|1,0,2]=4 1007 B7R1.4 C[C@@H]1NCC[C@@H]1O Amb32412686 [0,1,0,0,0,0|1,0,2]=4 1008 B7R1.4 C[C@@H]1NCC[C@H]1C Amb32412685 [0,1,0,0,0,0|2,0,1]=4 1009 B7R1.4 C[C@@H]1NCC[C@H]1N Amb28250867 [0,1,0,0,0,0|2,0,1]=4 1010 B7R1.4 C[C@@H]1NCC[C@H]1O Amb26412930 [0,1,0,0,0,0|1,0,2]=4 1011 B7R1.4 C[C@@H]1NCC[C@H]1O Amb32412687 [0,1,0,0,0,0|1,0,2]=4 1012 B7R1.4 C[C@@H]1OCC[C@@H]1I Amb27962293 [0,1,0,0,0,0|1,1,1]=4 1013 B7R1.4 C[C@@H]1OCC[C@@H]1N Amb22886254 [0,1,0,0,0,0|1,1,1]=4 1014 B7R1.4 C[C@@H]1OCC[C@@H]1N Amb24629226 [0,1,0,0,0,0|1,1,1]=4 1015 B7R1.4 C[C@@H]1OCC[C@H]1I Amb27664288 [0,1,0,0,0,0|1,1,1]=4 1016 B7R1.4 C[C@@H]1OCC[C@H]1N Amb27435305 [0,1,0,0,0,0|1,1,1]=4 1017 B7R1.4 C[C@@H]1OCC[C@H]1N Amb34915721 [0,1,0,0,0,0|1,1,1]=4 1018 B7R1.4 C[C@@H]1SCC[C@@H]1O Amb28144028 [0,1,0,0,0,0|0,0,2]=3 1019 B7R1.4 C[C@@H]1SCC[C@H]1O Amb27853254 [0,1,0,0,0,0|0,0,2]=3 1020 B7R1.4 C[C@H]1CCCC1=O Amb27640064 [0,1,0,0,0,0|1,0,0]=2 1021 B7R1.4 C[C@H]1CCC[C@@H]1C Amb25286917 [0,1,0,0,0,0|2,0,1]=4 1022 B7R1.4 C[C@H]1CCC[C@@H]1O Amb10844719 [0,1,0,0,0,0|1,0,2]=4 1023 B7R1.4 C[C@H]1CCC[C@H]1C Amb22230410 [0,1,0,0,0,0|2,0,1]=4 1024 B7R1.4 C[C@H]1CCC[C@H]1I Amb28135188 [0,1,0,0,0,0|2,0,1]=4 1025 B7R1.4 C[C@H]1CCC[C@H]1O Amb26012367 [0,1,0,0,0,0|1,0,2]=4 1026 B7R1.4 C[C@H]1CCNC1=O Amb27949295 [0,1,0,0,0,0|2,0,0]=3 1027 B7R1.4 C[C@H]1CCN[C@H]1C Amb27879886 [0,1,0,0,0,0|2,0,1]=4 1028 B7R1.4 C[C@H]1CCO[C@H]1Cl Amb27444980 [0,1,0,0,0,0|1,1,1]=4 1029 B7R1.4 C[C@H]1CCO[C@H]1O Amb27642053 [0,1,0,0,0,0|1,1,1]=4 1030 B7R1.4 C[C@H]1CNC[C@@H]1O Amb33805301 [0,1,0,0,0,0|1,0,2]=4 1031 B7R1.4 C[C@H]1CNC[C@H]1N Amb25174297 [0,1,0,0,0,0|2,0,1]=4 1032 B7R1.4 C[C@H]1CNC[C@H]1O Amb27203947 [0,1,0,0,0,0|1,0,2]=4 1033 B7R1.4 C[C@H]1CNC[C@H]1O Amb33871574 [0,1,0,0,0,0|1,0,2]=4 1034 B7R1.4 C[C@H]1COC[C@@H]1N Amb33805302 [0,1,0,0,0,0|1,1,1]=4 1035 B7R1.4 C[C@H]1COC[C@@H]1O Amb24609705 [0,1,0,0,0,0|0,1,2]=4 1036 B7R1.4 C[C@H]1COC[C@H]1N Amb27202968 [0,1,0,0,0,0|1,1,1]=4 1037 B7R1.4 C[C@H]1COC[C@H]1O Amb26400701 [0,1,0,0,0,0|0,1,2]=4 1038 B7R1.4 C[C@H]1CSC[C@H]1N Amb27961505 [0,1,0,0,0,0|1,0,1]=3 1039 B7R1.4 C[C@H]1CSC[C@H]1O Amb27448475 [0,1,0,0,0,0|0,0,2]=3 1040 B7R1.4 C[C@H]1NCC[C@@H]1O Amb28322208 [0,1,0,0,0,0|1,0,2]=4 1041 B7R1.4 C[C@H]1OCC[C@@H]1O Amb28388631 [0,1,0,0,0,0|0,1,2]=4 1042 B7R1.4 C[C@H]1OCC[C@H]1N Amb25174385 [0,1,0,0,0,0|1,1,1]=4 1043 B7R1.4 C[C@H]1SCC[C@@H]1O Amb27441450 [0,1,0,0,0,0|0,0,2]=3 1044 B7R1.4 ClC1=CCCC1Cl Amb27262105 [0,1,0,0,0,0|2,0,1]=4 1045 B7R1.4 ClC1CCCC1Cl Amb9787196 [0,1,0,0,0,0|2,0,1]=4 1046 B7R1.4 ClC1CCOC1Cl Amb22731370 [0,1,0,0,0,0|1,1,1]=4 1047 B7R1.4 ClC1CCSC1Cl Amb28325647 [0,1,0,0,0,0|1,0,1]=3 1048 B7R1.4 Cl[C@@H]1CCC[C@@H]1Br Amb27658896 [0,1,0,0,0,0|2,0,1]=4 1049 B7R1.4 Cl[C@@H]1CSC[C@H]1Cl Amb25061457 [0,1,0,0,0,0|1,0,1]=3 1050 B7R1.4 Cl[C@@H]1OCC[C@H]1Cl Amb27430492 [0,1,0,0,0,0|1,1,1]=4 1051 B7R1.4 Cl[C@H]1CCC[C@@H]1Br Amb27227433 [0,1,0,0,0,0|2,0,1]=4 1052 B7R1.4 Cl[C@H]1CCO[C@@H]1Cl Amb27419902 [0,1,0,0,0,0|1,1,1]=4 1053 B7R1.4 FC1CCCC1I Amb27236860 [0,1,0,0,0,0|2,0,1]=4 1054 B7R1.4 FC1CNCC1F Amb25742312 [0,1,0,0,0,0|2,0,1]=4 1055 B7R1.4 FC1CNCC1F Amb32662681 [0,1,0,0,0,0|2,0,1]=4 1056 B7R1.4 FC1CNCC1F Amb32662682 [0,1,0,0,0,0|2,0,1]=4 1057 B7R1.4 F[C@@H]1CCC[C@H]1I Amb27811995 [0,1,0,0,0,0|2,0,1]=4 1058 B7R1.4 F[C@@H]1CNC[C@H]1F Amb20241887 [0,1,0,0,0,0|2,0,1]=4 1059 B7R1.4 F[C@@H]1CNC[C@H]1F Amb22886216 [0,1,0,0,0,0|2,0,1]=4 1060 B7R1.4 F[C@H]1CNC[C@@H]1F Amb25961234 [0,1,0,0,0,0|2,0,1]=4 1061 B7R1.4 F[C@H]1CNC[C@@H]1F Amb33805303 [0,1,0,0,0,0|2,0,1]=4 1062 B7R1.4 F[C@H]1CNC[C@H]1F Amb22406202 [0,1,0,0,0,0|2,0,1]=4 1063 B7R1.4 F[C@H]1CNC[C@H]1F Amb24524029 [0,1,0,0,0,0|2,0,1]=4 1064 B7R1.4 F[C@H]1CNC[C@H]1F Amb32662600 [0,1,0,0,0,0|2,0,1]=4 1065 B7R1.4 NC1=CCOC1=O Amb22234102 [0,1,0,0,0,0|2,0,1]=4 1066 B7R1.4 NC1C=NNC1=O Amb18202634 [0,1,0,0,0,0|2,0,1]=4 1067 B7R1.4 NC1CCC=C1Br Amb33295394 [0,1,0,0,0,0|2,0,1]=4 1068 B7R1.4 NC1CCC=C1Br Amb33484034 [0,1,0,0,0,0|2,0,1]=4 1069 B7R1.4 NC1CCCC1=O Amb17939050 [0,1,0,0,0,0|1,0,0]=2 1070 B7R1.4 NC1CCCC1=O Amb28994832 [0,1,0,0,0,0|1,0,0]=2 1071 B7R1.4 NC1CCCC1Br Amb20667786 [0,1,0,0,0,0|2,0,1]=4 1072 B7R1.4 NC1CCCC1Br Amb24691577 [0,1,0,0,0,0|2,0,1]=4 1073 B7R1.4 NC1CCCC1Cl Amb3428719 [0,1,0,0,0,0|2,0,1]=4 1074 B7R1.4 NC1CCCC1Cl Amb4451124 [0,1,0,0,0,0|2,0,1]=4 1075 B7R1.4 NC1CCCC1F Amb23538754 [0,1,0,0,0,0|2,0,1]=4 1076 B7R1.4 NC1CCCC1F Amb32658048 [0,1,0,0,0,0|2,0,1]=4 1077 B7R1.4 NC1CCCC1N Amb18639642 [0,1,0,0,0,0|2,0,1]=4 1078 B7R1.4 NC1CCCC1N Amb31291256 [0,1,0,0,0,0|2,0,1]=4 1079 B7R1.4 NC1CCCC1O Amb13951342 [0,1,0,0,0,0|1,0,2]=4 1080 B7R1.4 NC1CCCC1O Amb8385206 [0,1,0,0,0,0|1,0,2]=4 1081 B7R1.4 NC1CCNC1=O Amb21955321 [0,1,0,0,0,0|2,0,0]=3 1082 B7R1.4 NC1CCNC1=O Amb6739903 [0,1,0,0,0,0|2,0,0]=3 1083 B7R1.4 NC1CCOC1=O Amb17614991 [0,1,0,0,0,0|2,0,0]=3 1084 B7R1.4 NC1CCOC1=O Amb6609049 [0,1,0,0,0,0|2,0,0]=3 1085 B7R1.4 NC1CCOC1=O Amb9761351 [0,1,0,0,0,0|2,0,0]=3 1086 B7R1.4 NC1CCOC1O Amb27408022 [0,1,0,0,0,0|1,1,1]=4 1087 B7R1.4 NC1CCSC1=O Amb1151877 [0,1,0,0,0,0|2,0,0]=3 1088 B7R1.4 NC1CCSC1=O Amb2720274 [0,1,0,0,0,0|2,0,0]=3 1089 B7R1.4 NC1CNCC1N Amb26003523 [0,1,0,0,0,0|2,0,1]=4 1090 B7R1.4 NC1CNCC1N Amb33869965 [0,1,0,0,0,0|2,0,1]=4 1091 B7R1.4 NC1CNCC1O Amb22235661 [0,1,0,0,0,0|1,0,2]=4 1092 B7R1.4 NC1COCC1=O Amb18202885 [0,1,0,0,0,0|0,1,0]=2 1093 B7R1.4 NC1COCC1=O Amb33328736 [0,1,0,0,0,0|0,1,0]=2 1094 B7R1.4 NC1COCC1N Amb23590778 [0,1,0,0,0,0|1,1,1]=4 1095 B7R1.4 NC1COCC1N Amb32665881 [0,1,0,0,0,0|1,1,1]=4 1096 B7R1.4 NC1COCC1O Amb18277417 [0,1,0,0,0,0|0,1,2]=4 1097 B7R1.4 NC1COCC1O Amb19515137 [0,1,0,0,0,0|0,1,2]=4 1098 B7R1.4 NC1CONC1=O Amb1865548 [0,1,0,0,0,0|1,1,0]=3 1099 B7R1.4 NC1CSCC1=O Amb18202693 [0,1,0,0,0,0|0,0,0]=1 1100 B7R1.4 NC1CSCC1F Amb28280927 [0,1,0,0,0,0|1,0,1]=3 1101 B7R1.4 NC1CSCC1O Amb2693597 [0,1,0,0,0,0|0,0,2]=3 1102 B7R1.4 NC1CSCC1O Amb5634210 [0,1,0,0,0,0|0,0,2]=3 1103 B7R1.4 NC1CSCC1O Amb8565080 [0,1,0,0,0,0|0,0,2]=3 1104 B7R1.4 NC1CSNC1=O Amb27435893 [0,1,0,0,0,0|1,0,0]=2 1105 B7R1.4 NN1CCCC1=O Amb8496496 [0,1,0,0,0,0|2,0,0]=3 1106 B7R1.4 NN1CCCC1=O Amb9174227 [0,1,0,0,0,0|2,0,0]=3 1107 B7R1.4 NN1CCNC1=O Amb5722000 [0,1,0,0,0,0|3,0,0]=4 1108 B7R1.4 NN1CCOC1=O Amb10068971 [0,1,0,0,0,0|3,0,0]=4 1109 B7R1.4 NN1CCOC1=O Amb33532698 [0,1,0,0,0,0|3,0,0]=4 1110 B7R1.4 N[C@@H]1CCC[C@@H]1Cl Amb32650234 [0,1,0,0,0,0|2,0,1]=4 1111 B7R1.4 N[C@@H]1CCC[C@@H]1Cl Amb32650235 [0,1,0,0,0,0|2,0,1]=4 1112 B7R1.4 N[C@@H]1CCC[C@@H]1F Amb25174659 [0,1,0,0,0,0|2,0,1]=4 1113 B7R1.4 N[C@@H]1CCC[C@@H]1F Amb32661555 [0,1,0,0,0,0|2,0,1]=4 1114 B7R1.4 N[C@@H]1CCC[C@@H]1F Amb32661660 [0,1,0,0,0,0|2,0,1]=4 1115 B7R1.4 N[C@@H]1CCC[C@@H]1O Amb1993810 [0,1,0,0,0,0|1,0,2]=4 1116 B7R1.4 N[C@@H]1CCC[C@@H]1O Amb1993921 [0,1,0,0,0,0|1,0,2]=4 1117 B7R1.4 N[C@@H]1CCC[C@H]1Cl Amb27882439 [0,1,0,0,0,0|2,0,1]=4 1118 B7R1.4 N[C@@H]1CCC[C@H]1F Amb28429786 [0,1,0,0,0,0|2,0,1]=4 1119 B7R1.4 N[C@@H]1CCC[C@H]1F Amb31308557 [0,1,0,0,0,0|2,0,1]=4 1120 B7R1.4 N[C@@H]1CCC[C@H]1N Amb16231433 [0,1,0,0,0,0|2,0,1]=4 1121 B7R1.4 N[C@@H]1CCC[C@H]1N Amb22748826 [0,1,0,0,0,0|2,0,1]=4 1122 B7R1.4 N[C@@H]1CCC[C@H]1O Amb1993811 [0,1,0,0,0,0|1,0,2]=4 1123 B7R1.4 N[C@@H]1CCC[C@H]1O Amb1993922 [0,1,0,0,0,0|1,0,2]=4 1124 B7R1.4 N[C@@H]1CCC[C@H]1O Amb30451169 [0,1,0,0,0,0|1,0,2]=4 1125 B7R1.4 N[C@@H]1CCC[C@H]1O Amb33714404 [0,1,0,0,0,0|1,0,2]=4 1126 B7R1.4 N[C@@H]1CCC[C@H]1S Amb28345579 [0,1,0,0,0,0|1,1,1]=4 1127 B7R1.4 N[C@@H]1CCNC1=O Amb19515791 [0,1,0,0,0,0|2,0,0]=3 1128 B7R1.4 N[C@@H]1CCNC1=O Amb22745816 [0,1,0,0,0,0|2,0,0]=3 1129 B7R1.4 N[C@@H]1CCOC1=O Amb10601656 [0,1,0,0,0,0|2,0,0]=3 1130 B7R1.4 N[C@@H]1CCOC1=O Amb22745863 [0,1,0,0,0,0|2,0,0]=3 1131 B7R1.4 N[C@@H]1CCOC1=O Amb3941712 [0,1,0,0,0,0|2,0,0]=3 1132 B7R1.4 N[C@@H]1CNC[C@@H]1F Amb35825100 [0,1,0,0,0,0|2,0,1]=4 1133 B7R1.4 N[C@@H]1CNC[C@@H]1O Amb25911176 [0,1,0,0,0,0|1,0,2]=4 1134 B7R1.4 N[C@@H]1CNC[C@H]1F Amb33851297 [0,1,0,0,0,0|2,0,1]=4 1135 B7R1.4 N[C@@H]1CNC[C@H]1N Amb24620889 [0,1,0,0,0,0|2,0,1]=4 1136 B7R1.4 N[C@@H]1COC[C@@H]1F Amb31188298 [0,1,0,0,0,0|1,1,1]=4 1137 B7R1.4 N[C@@H]1COC[C@@H]1F Amb33456080 [0,1,0,0,0,0|1,1,1]=4 1138 B7R1.4 N[C@@H]1COC[C@@H]1N Amb19515126 [0,1,0,0,0,0|1,1,1]=4 1139 B7R1.4 N[C@@H]1COC[C@@H]1N Amb22802084 [0,1,0,0,0,0|1,1,1]=4 1140 B7R1.4 N[C@@H]1COC[C@@H]1O Amb22748842 [0,1,0,0,0,0|0,1,2]=4 1141 B7R1.4 N[C@@H]1COC[C@@H]1O Amb22754535 [0,1,0,0,0,0|0,1,2]=4 1142 B7R1.4 N[C@@H]1COC[C@H]1F Amb33719125 [0,1,0,0,0,0|1,1,1]=4 1143 B7R1.4 N[C@@H]1COC[C@H]1N Amb22231694 [0,1,0,0,0,0|1,1,1]=4 1144 B7R1.4 N[C@@H]1COC[C@H]1N Amb22802083 [0,1,0,0,0,0|1,1,1]=4 1145 B7R1.4 N[C@@H]1COC[C@H]1O Amb17933202 [0,1,0,0,0,0|0,1,2]=4 1146 B7R1.4 N[C@@H]1COC[C@H]1O Amb22746728 [0,1,0,0,0,0|0,1,2]=4 1147 B7R1.4 N[C@@H]1COC[C@H]1O Amb24107553 [0,1,0,0,0,0|0,1,2]=4 1148 B7R1.4 N[C@@H]1COC[C@H]1O Amb33715897 [0,1,0,0,0,0|0,1,2]=4 1149 B7R1.4 N[C@@H]1CONC1=O Amb533888 [0,1,0,0,0,0|1,1,0]=3 1150 B7R1.4 N[C@@H]1CSC[C@@H]1O Amb23482790 [0,1,0,0,0,0|0,0,2]=3 1151 B7R1.4 N[C@@H]1CSC[C@@H]1O Amb532933 [0,1,0,0,0,0|0,0,2]=3 1152 B7R1.4 N[C@@H]1CSC[C@H]1O Amb1099355 [0,1,0,0,0,0|0,0,2]=3 1153 B7R1.4 N[C@H]1CCC[C@@H]1Cl Amb27203393 [0,1,0,0,0,0|2,0,1]=4 1154 B7R1.4 N[C@H]1CCC[C@@H]1F Amb34916180 [0,1,0,0,0,0|2,0,1]=4 1155 B7R1.4 N[C@H]1CCC[C@@H]1N Amb16231434 [0,1,0,0,0,0|2,0,1]=4 1156 B7R1.4 N[C@H]1CCC[C@@H]1O Amb10604100 [0,1,0,0,0,0|1,0,2]=4 1157 B7R1.4 N[C@H]1CCC[C@@H]1O Amb3941725 [0,1,0,0,0,0|1,0,2]=4 1158 B7R1.4 N[C@H]1CCC[C@H]1F Amb27476530 [0,1,0,0,0,0|2,0,1]=4 1159 B7R1.4 N[C@H]1CCC[C@H]1F Amb34162936 [0,1,0,0,0,0|2,0,1]=4 1160 B7R1.4 N[C@H]1CCC[C@H]1N Amb28346940 [0,1,0,0,0,0|2,0,1]=4 1161 B7R1.4 N[C@H]1CCC[C@H]1N Amb30988009 [0,1,0,0,0,0|2,0,1]=4 1162 B7R1.4 N[C@H]1CCC[C@H]1O Amb10603107 [0,1,0,0,0,0|1,0,2]=4 1163 B7R1.4 N[C@H]1CCC[C@H]1O Amb28133706 [0,1,0,0,0,0|1,0,2]=4 1164 B7R1.4 N[C@H]1CCNC1=O Amb19887769 [0,1,0,0,0,0|2,0,0]=3 1165 B7R1.4 N[C@H]1CCNC1=O Amb23385346 [0,1,0,0,0,0|2,0,0]=3 1166 B7R1.4 N[C@H]1CCOC1=O Amb10982617 [0,1,0,0,0,0|2,0,0]=3 1167 B7R1.4 N[C@H]1CCOC1=O Amb541960 [0,1,0,0,0,0|2,0,0]=3 1168 B7R1.4 N[C@H]1CCOC1=O Amb5718691 [0,1,0,0,0,0|2,0,0]=3 1169 B7R1.4 N[C@H]1CCSC1=O Amb22362833 [0,1,0,0,0,0|2,0,0]=3 1170 B7R1.4 N[C@H]1CCSC1=O Amb33758042 [0,1,0,0,0,0|2,0,0]=3 1171 B7R1.4 N[C@H]1CCSC1=O Amb8628572 [0,1,0,0,0,0|2,0,0]=3 1172 B7R1.4 N[C@H]1CNC[C@@H]1F Amb26440346 [0,1,0,0,0,0|2,0,1]=4 1173 B7R1.4 N[C@H]1CNC[C@H]1O Amb27621416 [0,1,0,0,0,0|1,0,2]=4 1174 B7R1.4 N[C@H]1CNOC1=O Amb27778477 [0,1,0,0,0,0|2,0,0]=3 1175 B7R1.4 N[C@H]1COC[C@@H]1N Amb26937236 [0,1,0,0,0,0|1,1,1]=4 1176 B7R1.4 N[C@H]1COC[C@@H]1O Amb10608341 [0,1,0,0,0,0|0,1,2]=4 1177 B7R1.4 N[C@H]1COC[C@@H]1O Amb22224915 [0,1,0,0,0,0|0,1,2]=4 1178 B7R1.4 N[C@H]1COC[C@H]1F Amb35825425 [0,1,0,0,0,0|1,1,1]=4 1179 B7R1.4 N[C@H]1COC[C@H]1O Amb25259808 [0,1,0,0,0,0|0,1,2]=4 1180 B7R1.4 N[C@H]1COC[C@H]1O Amb33774994 [0,1,0,0,0,0|0,1,2]=4 1181 B7R1.4 N[C@H]1CONC1=O Amb2719694 [0,1,0,0,0,0|1,1,0]=3 1182 B7R1.4 O=C1C=CCC1Cl Amb27482393 [0,1,0,0,0,0|1,0,1]=3 1183 B7R1.4 O=C1C=CCN1O Amb28255915 [0,1,0,0,0,0|2,0,1]=4 1184 B7R1.4 O=C1C=COC1O Amb27638452 [0,1,0,0,0,0|0,1,2]=4 1185 B7R1.4 O=C1CCC=C1Br Amb10067494 [0,1,0,0,0,0|1,0,1]=3 1186 B7R1.4 O=C1CCC=C1I Amb26585706 [0,1,0,0,0,0|1,0,1]=3 1187 B7R1.4 O=C1CCC=C1O Amb17593067 [0,1,0,0,0,0|1,0,1]=3 1188 B7R1.4 O=C1CCCC1=O Amb24053064 [0,1,0,0,0,0|1,0,1]=3 1189 B7R1.4 O=C1CCCC1Br Amb16234114 [0,1,0,0,0,0|1,0,0]=2 1190 B7R1.4 O=C1CCCC1Cl Amb3939970 [0,1,0,0,0,0|1,0,0]=2 1191 B7R1.4 O=C1CCCC1F Amb28050533 [0,1,0,0,0,0|1,0,0]=2 1192 B7R1.4 O=C1CCCC1I Amb25756212 [0,1,0,0,0,0|1,0,0]=2 1193 B7R1.4 O=C1CCCC1O Amb17593081 [0,1,0,0,0,0|1,0,0]=2 1194 B7R1.4 O=C1CCCC1S Amb27838260 [0,1,0,0,0,0|1,0,0]=2 1195 B7R1.4 O=C1CCCN1O Amb33484242 [0,1,0,0,0,0|2,0,0]=3 1196 B7R1.4 O=C1CCC[C@@H]1F Amb35788466 [0,1,0,0,0,0|1,0,0]=2 1197 B7R1.4 O=C1CCC[C@H]1F Amb25834416 [0,1,0,0,0,0|1,0,0]=2 1198 B7R1.4 O=C1CCNC1=O Amb21858086 [0,1,0,0,0,0|1,0,1]=3 1199 B7R1.4 O=C1CCOC1=O Amb27849805 [0,1,0,0,0,0|0,1,1]=3 1200 B7R1.4 O=C1CNC=C1O Amb27962752 [0,1,0,0,0,0|1,0,2]=4 1201 B7R1.4 O=C1COC=C1O Amb27838226 [0,1,0,0,0,0|0,1,2]=4 1202 B7R1.4 O=C1NCCC1Br Amb20623055 [0,1,0,0,0,0|2,0,0]=3 1203 B7R1.4 O=C1NCCC1Cl Amb28050511 [0,1,0,0,0,0|2,0,0]=3 1204 B7R1.4 O=C1NCCC1F Amb25838145 [0,1,0,0,0,0|2,0,0]=3 1205 B7R1.4 O=C1NCCC1O Amb10603089 [0,1,0,0,0,0|2,0,0]=3 1206 B7R1.4 O=C1NCCC1S Amb18202686 [0,1,0,0,0,0|2,0,0]=3 1207 B7R1.4 O=C1NCC[C@@H]1O Amb10603274 [0,1,0,0,0,0|2,0,0]=3 1208 B7R1.4 O=C1NCC[C@H]1O Amb22225343 [0,1,0,0,0,0|2,0,0]=3 1209 B7R1.4 O=C1OC=CC1Br Amb22015332 [0,1,0,0,0,0|2,0,1]=4 1210 B7R1.4 O=C1OC=CC1S Amb27624883 [0,1,0,0,0,0|2,0,1]=4 1211 B7R1.4 O=C1OC=C[C@@H]1O Amb27472742 [0,1,0,0,0,0|2,0,1]=4 1212 B7R1.4 O=C1OCC=C1Br Amb10067498 [0,1,0,0,0,0|2,0,1]=4 1213 B7R1.4 O=C1OCC=C1Cl Amb23571857 [0,1,0,0,0,0|2,0,1]=4 1214 B7R1.4 O=C1OCC=C1F Amb28144969 [0,1,0,0,0,0|2,0,1]=4 1215 B7R1.4 O=C1OCCC1Br Amb3940058 [0,1,0,0,0,0|2,0,0]=3 1216 B7R1.4 O=C1OCCC1F Amb27642041 [0,1,0,0,0,0|2,0,0]=3 1217 B7R1.4 O=C1OCCC1I Amb24418518 [0,1,0,0,0,0|2,0,0]=3 1218 B7R1.4 O=C1OCCC1O Amb5718058 [0,1,0,0,0,0|2,0,0]=3 1219 B7R1.4 O=C1OCCC1S Amb25146639 [0,1,0,0,0,0|2,0,0]=3 1220 B7R1.4 O=C1OCC[C@@H]1O Amb3939677 [0,1,0,0,0,0|2,0,0]=3 1221 B7R1.4 O=C1OCC[C@H]1Br Amb27407127 [0,1,0,0,0,0|2,0,0]=3 1222 B7R1.4 O=C1OCC[C@H]1Cl Amb28207894 [0,1,0,0,0,0|2,0,0]=3 1223 B7R1.4 O=C1OCC[C@H]1O Amb3939679 [0,1,0,0,0,0|2,0,0]=3 1224 B7R1.4 O=C1OCC[C@H]1S Amb27862288 [0,1,0,0,0,0|2,0,0]=3 1225 B7R1.4 O=C1OCNC1Br Amb25299209 [0,1,0,0,0,0|2,0,0]=3 1226 B7R1.4 O=C1SCC=C1Br Amb27462381 [0,1,0,0,0,0|1,0,2]=4 1227 B7R1.4 O=C1SCC[C@@H]1Br Amb27482200 [0,1,0,0,0,0|2,0,0]=3 1228 B7R1.4 O=S1CCCC1Br Amb28046103 [0,1,0,0,0,0|2,0,0]=3 1229 B7R1.4 O=S1CCCC1Cl Amb27796334 [0,1,0,0,0,0|2,0,0]=3 1230 B7R1.4 OC1CCC=C1Br Amb24429462 [0,1,0,0,0,0|2,0,1]=4 1231 B7R1.4 OC1CCC=C1Cl Amb25202022 [0,1,0,0,0,0|2,0,1]=4 1232 B7R1.4 OC1CCCC1Br Amb27201322 [0,1,0,0,0,0|1,0,2]=4 1233 B7R1.4 OC1CCCC1Cl Amb9787194 [0,1,0,0,0,0|1,0,2]=4 1234 B7R1.4 OC1CCCC1F Amb25746323 [0,1,0,0,0,0|1,0,2]=4 1235 B7R1.4 OC1CCCC1I Amb27478744 [0,1,0,0,0,0|1,0,2]=4 1236 B7R1.4 OC1CCCC1O Amb17935884 [0,1,0,0,0,0|1,0,2]=4 1237 B7R1.4 OC1CCOC1O Amb28291442 [0,1,0,0,0,0|0,1,2]=4 1238 B7R1.4 OC1CNCC1F Amb24377167 [0,1,0,0,0,0|1,0,2]=4 1239 B7R1.4 OC1CNCC1O Amb18640019 [0,1,0,0,0,0|1,0,2]=4 1240 B7R1.4 OC1CNCC1O Amb33527029 [0,1,0,0,0,0|1,0,2]=4 1241 B7R1.4 OC1CNCC1S Amb29854580 [0,1,0,0,0,0|1,0,2]=4 1242 B7R1.4 OC1COCC1Br Amb25321008 [0,1,0,0,0,0|0,1,2]=4 1243 B7R1.4 OC1COCC1F Amb26475960 [0,1,0,0,0,0|0,1,2]=4 1244 B7R1.4 OC1COCC1I Amb24332672 [0,1,0,0,0,0|0,1,2]=4 1245 B7R1.4 OC1COCC1O Amb532982 [0,1,0,0,0,0|0,1,2]=4 1246 B7R1.4 OC1COCC1S Amb27970973 [0,1,0,0,0,0|0,1,2]=4 1247 B7R1.4 OC1CSCC1O Amb17593233 [0,1,0,0,0,0|0,0,2]=3 1248 B7R1.4 OC1OCCC1F Amb22641467 [0,1,0,0,0,0|1,1,1]=4 1249 B7R1.4 O[C@@H]1CCC=C1Cl Amb28340922 [0,1,0,0,0,0|2,0,1]=4 1250 B7R1.4 O[C@@H]1CCC[C@@H]1Br Amb24470331 [0,1,0,0,0,0|1,0,2]=4 1251 B7R1.4 O[C@@H]1CCC[C@@H]1F Amb34916184 [0,1,0,0,0,0|1,0,2]=4 1252 B7R1.4 O[C@@H]1CCC[C@H]1Br Amb26427919 [0,1,0,0,0,0|1,0,2]=4 1253 B7R1.4 O[C@@H]1CCC[C@H]1Cl Amb17938993 [0,1,0,0,0,0|1,0,2]=4 1254 B7R1.4 O[C@@H]1CCC[C@H]1Cl Amb30628647 [0,1,0,0,0,0|1,0,2]=4 1255 B7R1.4 O[C@@H]1CCC[C@H]1F Amb26891974 [0,1,0,0,0,0|1,0,2]=4 1256 B7R1.4 O[C@@H]1CCC[C@H]1O Amb33524011 [0,1,0,0,0,0|1,0,2]=4 1257 B7R1.4 O[C@@H]1CNC[C@@H]1F Amb22886226 [0,1,0,0,0,0|1,0,2]=4 1258 B7R1.4 O[C@@H]1CNC[C@@H]1F Amb24714910 [0,1,0,0,0,0|1,0,2]=4 1259 B7R1.4 O[C@@H]1CNC[C@H]1F Amb22406204 [0,1,0,0,0,0|1,0,2]=4 1260 B7R1.4 O[C@@H]1CNC[C@H]1F Amb22757855 [0,1,0,0,0,0|1,0,2]=4 1261 B7R1.4 O[C@@H]1CNC[C@H]1O Amb22746349 [0,1,0,0,0,0|1,0,2]=4 1262 B7R1.4 O[C@@H]1CNC[C@H]1O Amb8630288 [0,1,0,0,0,0|1,0,2]=4 1263 B7R1.4 O[C@@H]1CNC[C@H]1S Amb35672842 [0,1,0,0,0,0|1,0,2]=4 1264 B7R1.4 O[C@@H]1COC[C@@H]1F Amb24600177 [0,1,0,0,0,0|0,1,2]=4 1265 B7R1.4 O[C@@H]1COC[C@H]1Br Amb24356806 [0,1,0,0,0,0|0,1,2]=4 1266 B7R1.4 O[C@@H]1COC[C@H]1F Amb22886831 [0,1,0,0,0,0|0,1,2]=4 1267 B7R1.4 O[C@@H]1COC[C@H]1O Amb22231695 [0,1,0,0,0,0|0,1,2]=4 1268 B7R1.4 O[C@@H]1CSC[C@@H]1O Amb28455182 [0,1,0,0,0,0|0,0,2]=3 1269 B7R1.4 O[C@@H]1CSC[C@@H]1S Amb27422639 [0,1,0,0,0,0|0,0,2]=3 1270 B7R1.4 O[C@@H]1CSC[C@H]1S Amb27981741 [0,1,0,0,0,0|0,0,2]=3 1271 B7R1.4 O[C@H]1CCC[C@@H]1F Amb24612635 [0,1,0,0,0,0|1,0,2]=4 1272 B7R1.4 O[C@H]1CCC[C@@H]1I Amb27857258 [0,1,0,0,0,0|1,0,2]=4 1273 B7R1.4 O[C@H]1CCC[C@@H]1O Amb22350708 [0,1,0,0,0,0|1,0,2]=4 1274 B7R1.4 O[C@H]1CCC[C@H]1Br Amb8394047 [0,1,0,0,0,0|1,0,2]=4 1275 B7R1.4 O[C@H]1CCC[C@H]1Cl Amb8394048 [0,1,0,0,0,0|1,0,2]=4 1276 B7R1.4 O[C@H]1CCC[C@H]1O Amb2721263 [0,1,0,0,0,0|1,0,2]=4 1277 B7R1.4 O[C@H]1CNC[C@@H]1F Amb26904343 [0,1,0,0,0,0|1,0,2]=4 1278 B7R1.4 O[C@H]1CNC[C@@H]1F Amb32665177 [0,1,0,0,0,0|1,0,2]=4 1279 B7R1.4 O[C@H]1CNC[C@@H]1O Amb23385333 [0,1,0,0,0,0|1,0,2]=4 1280 B7R1.4 O[C@H]1CNC[C@@H]1O Amb32409384 [0,1,0,0,0,0|1,0,2]=4 1281 B7R1.4 O[C@H]1CNC[C@H]1F Amb33874271 [0,1,0,0,0,0|1,0,2]=4 1282 B7R1.4 O[C@H]1CNC[C@H]1F Amb34916235 [0,1,0,0,0,0|1,0,2]=4 1283 B7R1.4 O[C@H]1CNC[C@H]1O Amb22406184 [0,1,0,0,0,0|1,0,2]=4 1284 B7R1.4 O[C@H]1CNC[C@H]1O Amb8630287 [0,1,0,0,0,0|1,0,2]=4 1285 B7R1.4 O[C@H]1COC[C@@H]1Br Amb24519174 [0,1,0,0,0,0|0,1,2]=4 1286 B7R1.4 O[C@H]1COC[C@@H]1O Amb17938167 [0,1,0,0,0,0|0,1,2]=4 1287 B7R1.4 O[C@H]1COC[C@H]1O Amb22406017 [0,1,0,0,0,0|0,1,2]=4 1288 B7R1.4 S=C1SCC=C1Br Amb27438682 [0,1,0,0,0,0|1,0,2]=4 1289 B7R1.4 S=C1SCC=C1Cl Amb28323649 [0,1,0,0,0,0|1,0,2]=4 1290 B7R1.4 [NH3+]C1CCSC1=O Amb22045205 [0,1,0,0,0,0|2,0,0]=3 1291 B7R1.4 [NH3+]C1CCSC1=O Amb24112879 [0,1,0,0,0,0|2,0,0]=3 1292 B7R1.4 [NH3+][C@@H]1CSC[C@H]1O Amb4269724 [0,1,0,0,0,0|0,0,2]=3 1293 B7R1.14 CC1(Br)CCCC1 Amb24612443 [0,1,0,0,0,0|2,0,1]=4 1294 B7R1.14 CC1(C)CCCC1 Amb4019558 [0,1,0,0,0,0|2,0,1]=4 1295 B7R1.14 CC1(C)CCNC1 Amb10607828 [0,1,0,0,0,0|2,0,1]=4 1296 B7R1.14 CC1(C)CCNC1 Amb19308490 [0,1,0,0,0,0|2,0,1]=4 1297 B7R1.14 CC1(C)CCOC1 Amb27398819 [0,1,0,0,0,0|1,1,1]=4 1298 B7R1.14 CC1(C)CCSS1 Amb25358324 [0,1,0,0,0,0|2,0,1]=4 1299 B7R1.14 CC1(F)CCNC1 Amb20623284 [0,1,0,0,0,0|2,0,1]=4 1300 B7R1.14 CC1(F)CCNC1 Amb30633719 [0,1,0,0,0,0|2,0,1]=4 1301 B7R1.14 CC1(N)CCCC1 Amb10609055 [0,1,0,0,0,0|2,0,1]=4 1302 B7R1.14 CC1(N)CCCC1 Amb9477037 [0,1,0,0,0,0|2,0,1]=4 1303 B7R1.14 CC1(N)CCNC1 Amb18121423 [0,1,0,0,0,0|2,0,1]=4 1304 B7R1.14 CC1(N)CCNC1 Amb31307900 [0,1,0,0,0,0|2,0,1]=4 1305 B7R1.14 CC1(N)CCOC1 Amb22058785 [0,1,0,0,0,0|1,1,1]=4 1306 B7R1.14 CC1(N)CCOC1 Amb28955919 [0,1,0,0,0,0|1,1,1]=4 1307 B7R1.14 CC1(N)CSSC1 Amb28133471 [0,1,0,0,0,0|2,0,1]=4 1308 B7R1.14 CC1(O)CCCC1 Amb4037281 [0,1,0,0,0,0|1,0,2]=4 1309 B7R1.14 CC1(O)CCNC1 Amb20623853 [0,1,0,0,0,0|1,0,2]=4 1310 B7R1.14 CC1(O)CCNC1 Amb20671400 [0,1,0,0,0,0|1,0,2]=4 1311 B7R1.14 CC1(O)CCOC1 Amb20667835 [0,1,0,0,0,0|0,1,2]=4 1312 B7R1.14 CC1(O)CCSC1 Amb28050063 [0,1,0,0,0,0|0,0,2]=3 1313 B7R1.14 CP1(=O)C=CCC1 Amb27833507 [0,1,0,0,0,0|2,0,1]=4 1314 B7R1.14 CP1(=O)CC=CC1 Amb24093483 [0,1,0,0,0,0|2,0,1]=4 1315 B7R1.14 C[C@@]1(O)CCNC1 Amb24676068 [0,1,0,0,0,0|1,0,2]=4 1316 B7R1.14 C[C@]1(F)CCNC1 Amb33715742 [0,1,0,0,0,0|2,0,1]=4 1317 B7R1.14 C[C@]1(O)CCNC1 Amb22748513 [0,1,0,0,0,0|1,0,2]=4 1318 B7R1.14 C[C@]1(O)CCNC1 Amb22754367 [0,1,0,0,0,0|1,0,2]=4 1319 B7R1.14 C[Si]1(C)CCCC1 Amb19893503 [0,1,0,0,0,0|2,1,0]=4 1320 B7R1.14 C[Si]1(C)CCNC1 Amb28345696 [0,1,0,0,0,0|2,1,0]=4 1321 B7R1.14 C[Si]1(Cl)CCCC1 Amb19893715 [0,1,0,0,0,0|2,1,0]=4 1322 B7R1.14 ClC1(Cl)CCCC1 Amb22733951 [0,1,0,0,0,0|2,0,1]=4 1323 B7R1.14 Cl[Si]1(Cl)CCCC1 Amb19893524 [0,1,0,0,0,0|2,1,0]=4 1324 B7R1.14 FC1(F)CCCC1 Amb10838599 [0,1,0,0,0,0|2,0,1]=4 1325 B7R1.14 FC1(F)CCNC1 Amb2687278 [0,1,0,0,0,0|2,0,1]=4 1326 B7R1.14 FC1(F)CCNC1 Amb8009569 [0,1,0,0,0,0|2,0,1]=4 1327 B7R1.14 FC1(F)CCOC1 Amb32654533 [0,1,0,0,0,0|1,1,1]=4 1328 B7R1.14 N=S1(=N)CCCC1 Amb27453018 [0,1,0,0,0,0|3,0,0]=4 1329 B7R1.14 N=S1(=O)CCCC1 Amb22493673 [0,1,0,0,0,0|2,0,0]=3 1330 B7R1.14 NC1(F)CCCC1 Amb28283925 [0,1,0,0,0,0|2,0,1]=4 1331 B7R1.14 NC1(F)CCSC1 Amb28318189 [0,1,0,0,0,0|1,0,1]=3 1332 B7R1.14 O=P1(Cl)CC=CC1 Amb25810627 [0,1,0,0,0,0|2,0,1]=4 1333 B7R1.14 O=P1(F)C=CCC1 Amb35789660 [0,1,0,0,0,0|2,0,1]=4 1334 B7R1.14 O=S1(=O)C=CCC1 Amb1099221 [0,1,0,0,0,0|2,0,1]=4 1335 B7R1.14 O=S1(=O)CC=CC1 Amb2540206 [0,1,0,0,0,0|2,0,1]=4 1336 B7R1.14 O=S1(=O)CCC=N1 Amb21964374 [0,1,0,0,0,0|3,0,0]=4 1337 B7R1.14 O=S1(=O)CCCC1 Amb2973382 [0,1,0,0,0,0|2,0,0]=3 1338 B7R1.14 O=S1(=O)CCCN1 Amb6893202 [0,1,0,0,0,0|3,0,0]=4 1339 B7R1.14 O=S1(=O)CCCO1 Amb6608684 [0,1,0,0,0,0|3,0,0]=4 1340 B7R1.14 O=S1(=O)CCNC1 Amb27877957 [0,1,0,0,0,0|2,0,0]=3 1341 B5R0.1 BC(=O)NCC Amb27430059 [0,0,1,0,0,0|3,0,0]=4 1342 B5R0.1 C#CCC(=C)C Amb33200277 [0,0,1,0,0,0|2,0,1]=4 1343 B5R0.1 C#CCC(=O)O Amb33532662 [0,0,1,0,0,0|2,0,1]=4 1344 B5R0.1 C=C(Br)CCBr Amb25827098 [0,0,1,0,0,0|2,0,1]=4 1345 B5R0.1 C=C(Br)CCCl Amb8391241 [0,0,1,0,0,0|2,0,1]=4 1346 B5R0.1 C=C(Br)CCO Amb4014497 [0,0,1,0,0,0|1,1,1]=4 1347 B5R0.1 C=C(Br)CNC Amb18950247 [0,0,1,0,0,0|2,0,1]=4 1348 B5R0.1 C=C(Br)COC Amb25361496 [0,0,1,0,0,0|1,1,1]=4 1349 B5R0.1 C=C(Br)CSC Amb28313326 [0,0,1,0,0,0|1,0,1]=3 1350 B5R0.1 C=C(C)C#CC Amb25062515 [0,0,1,0,0,0|2,0,1]=4 1351 B5R0.1 C=C(C)CC#N Amb17712309 [0,0,1,0,0,0|2,0,1]=4 1352 B5R0.1 C=C(C)CC=O Amb28202583 [0,0,1,0,0,0|1,1,1]=4 1353 B5R0.1 C=C(C)CCBr Amb21857866 [0,0,1,0,0,0|2,0,0]=3 1354 B5R0.1 C=C(C)CCC Amb8513259 [0,0,1,0,0,0|2,0,0]=3 1355 B5R0.1 C=C(C)CCCl Amb27810807 [0,0,1,0,0,0|2,0,0]=3 1356 B5R0.1 C=C(C)CCI Amb26649317 [0,0,1,0,0,0|2,0,0]=3 1357 B5R0.1 C=C(C)CCN Amb17673481 [0,0,1,0,0,0|2,0,0]=3 1358 B5R0.1 C=C(C)CCN Amb33543001 [0,0,1,0,0,0|2,0,0]=3 1359 B5R0.1 C=C(C)CCO Amb34916534 [0,0,1,0,0,0|1,1,0]=3 1360 B5R0.1 C=C(C)CCO Amb8513522 [0,0,1,0,0,0|1,1,0]=3 1361 B5R0.1 C=C(C)CCS Amb25887673 [0,0,1,0,0,0|1,0,0]=2 1362 B5R0.1 C=C(C)CNC Amb30625043 [0,0,1,0,0,0|2,0,0]=3 1363 B5R0.1 C=C(C)CNC Amb3941317 [0,0,1,0,0,0|2,0,0]=3 1364 B5R0.1 C=C(C)CNN Amb2792852 [0,0,1,0,0,0|3,0,0]=4 1365 B5R0.1 C=C(C)CNO Amb33199864 [0,0,1,0,0,0|2,1,0]=4 1366 B5R0.1 C=C(C)COC Amb26589016 [0,0,1,0,0,0|1,1,0]=3 1367 B5R0.1 C=C(C)CON Amb18560218 [0,0,1,0,0,0|2,1,0]=4 1368 B5R0.1 C=C(C)CON Amb30634348 [0,0,1,0,0,0|2,1,0]=4 1369 B5R0.1 C=C(C)CSC Amb20671946 [0,0,1,0,0,0|1,0,0]=2 1370 B5R0.1 C=C(C)C[Mg]Cl Amb22338380 [0,0,1,0,0,0|3,0,0]=4 1371 B5R0.1 C=C(C)OCC Amb8393241 [0,0,1,0,0,0|3,0,0]=4 1372 B5R0.1 C=C(Cl)CCI Amb28187982 [0,0,1,0,0,0|2,0,1]=4 1373 B5R0.1 C=C(Cl)CCN Amb27493165 [0,0,1,0,0,0|2,0,1]=4 1374 B5R0.1 C=C(F)CNC Amb28194424 [0,0,1,0,0,0|2,0,1]=4 1375 B5R0.1 C=CCC(=C)C Amb22347764 [0,0,1,0,0,0|2,0,1]=4 1376 B5R0.1 C=CCC(=O)Cl Amb33543701 [0,0,1,0,0,0|2,0,1]=4 1377 B5R0.1 C=CCC(=O)O Amb3940098 [0,0,1,0,0,0|2,0,1]=4 1378 B5R0.1 C=CCC(C)=O Amb8396482 [0,0,1,0,0,0|1,0,1]=3 1379 B5R0.1 C=CCC(N)=O Amb17610156 [0,0,1,0,0,0|2,0,1]=4 1380 B5R0.1 C=CNC(C)=O Amb24323579 [0,0,1,0,0,0|2,0,1]=4 1381 B5R0.1 C=COC(C)=O Amb8513382 [0,0,1,0,0,0|2,0,1]=4 1382 B5R0.1 C=NCC(N)=O Amb26548445 [0,0,1,0,0,0|2,0,1]=4 1383 B5R0.1 C=NNC(C)=O Amb29626225 [0,0,1,0,0,0|2,0,1]=4 1384 B5R0.1 CC#CC(=O)Cl Amb27778056 [0,0,1,0,0,0|2,0,1]=4 1385 B5R0.1 CC#CC(=O)O Amb2685714 [0,0,1,0,0,0|2,0,1]=4 1386 B5R0.1 CC#CC(C)=O Amb17593016 [0,0,1,0,0,0|1,0,1]=3 1387 B5R0.1 CC#CC(N)=O Amb10552409 [0,0,1,0,0,0|2,0,1]=4 1388 B5R0.1 CC(=N)CC#N Amb17593017 [0,0,1,0,0,0|2,0,1]=4 1389 B5R0.1 CC(=O)C=C=O Amb10603952 [0,0,1,0,0,0|0,1,2]=4 1390 B5R0.1 CC(=O)C=[N+]=[N-] Amb27808588 [0,0,1,0,0,0|2,0,1]=4 1391 B5R0.1 CC(=O)CC#N Amb1102132 [0,0,1,0,0,0|1,0,1]=3 1392 B5R0.1 CC(=O)CC=N Amb28285098 [0,0,1,0,0,0|1,0,1]=3 1393 B5R0.1 CC(=O)CCBr Amb24078246 [0,0,1,0,0,0|1,0,0]=2 1394 B5R0.1 CC(=O)CCCl Amb2720823 [0,0,1,0,0,0|1,0,0]=2 1395 B5R0.1 CC(=O)CCF Amb26427773 [0,0,1,0,0,0|1,0,0]=2 1396 B5R0.1 CC(=O)CCN Amb18632933 [0,0,1,0,0,0|1,0,0]=2 1397 B5R0.1 CC(=O)CCN Amb33544540 [0,0,1,0,0,0|1,0,0]=2 1398 B5R0.1 CC(=O)CCO Amb836357 [0,0,1,0,0,0|0,1,0]=2 1399 B5R0.1 CC(=O)CC[NH3+] Amb17205167 [0,0,1,0,0,0|1,0,0]=2 1400 B5R0.1 CC(=O)CNO Amb28049954 [0,0,1,0,0,0|1,1,0]=3 1401 B5R0.1 CC(=O)CSN Amb28430346 [0,0,1,0,0,0|1,0,0]=2 1402 B5R0.1 CC(=O)N=C=O Amb17231800 [0,0,1,0,0,0|1,1,1]=4 1403 B5R0.1 CC(=O)N=C=S Amb9249840 [0,0,1,0,0,0|1,0,2]=4 1404 B5R0.1 CC(=O)N=S=O Amb9786964 [0,0,1,0,0,0|2,0,1]=4 1405 B5R0.1 CC(=O)N=[N+]=[N-] Amb27837645 [0,0,1,0,0,0|3,0,0]=4 1406 B5R0.1 CC(=O)NC=O Amb27850191 [0,0,1,0,0,0|1,1,1]=4 1407 B5R0.1 CC(=O)NCO Amb8516057 [0,0,1,0,0,0|1,1,0]=3 1408 B5R0.1 CC(=O)OC=O Amb25283525 [0,0,1,0,0,0|1,1,1]=4 1409 B5R0.1 CC(=O)OCBr Amb3941481 [0,0,1,0,0,0|2,0,0]=3 1410 B5R0.1 CC(=O)OCCl Amb33542858 [0,0,1,0,0,0|2,0,0]=3 1411 B5R0.1 CC(=O)OCI Amb25226851 [0,0,1,0,0,0|2,0,0]=3 1412 B5R0.1 CC(=O)SCBr Amb25349900 [0,0,1,0,0,0|2,0,0]=3 1413 B5R0.1 CC(=O)SCI Amb33339258 [0,0,1,0,0,0|2,0,0]=3 1414 B5R0.1 CC(=O)SCO Amb27255261 [0,0,1,0,0,0|1,1,0]=3 1415 B5R0.1 CC(=O)[CH-]C#N Amb26476728 [0,0,1,0,0,0|1,0,2]=4 1416 B5R0.1 CC(=O)\C=C/N Amb25147403 [0,0,1,0,0,0|1,0,2]=4 1417 B5R0.1 CC(=O)\C=C/[O-] Amb30876865 [0,0,1,0,0,0|0,1,2]=4 1418 B5R0.1 CC(=O)\C=C\Cl Amb17593099 [0,0,1,0,0,0|1,0,2]=4 1419 B5R0.1 CC(=O)\C=C\N Amb8395283 [0,0,1,0,0,0|1,0,2]=4 1420 B5R0.1 CC(=O)\C=C\[O-] Amb32644521 [0,0,1,0,0,0|0,1,2]=4 1421 B5R0.1 CC(=O)\C=N/O Amb26474151 [0,0,1,0,0,0|1,1,1]=4 1422 B5R0.1 CC(=O)\C=N\O Amb33719017 [0,0,1,0,0,0|1,1,1]=4 1423 B5R0.1 CC(=O)\C=N\O Amb8395285 [0,0,1,0,0,0|1,1,1]=4 1424 B5R0.1 CC(=S)SCCl Amb27231112 [0,0,1,0,0,0|2,1,0]=4 1425 B5R0.1 CC(Br)CCBr Amb8513667 [0,0,1,0,0,0|2,0,1]=4 1426 B5R0.1 CC(Br)CCCl Amb27613510 [0,0,1,0,0,0|2,0,1]=4 1427 B5R0.1 CC(Br)CCF Amb28255100 [0,0,1,0,0,0|2,0,1]=4 1428 B5R0.1 CC(C)=CCBr Amb3940211 [0,0,1,0,0,0|2,0,1]=4 1429 B5R0.1 CC(C)=CCCl Amb2371433 [0,0,1,0,0,0|2,0,1]=4 1430 B5R0.1 CC(C)=CCN Amb10601678 [0,0,1,0,0,0|2,0,1]=4 1431 B5R0.1 CC(C)=CCN Amb10601679 [0,0,1,0,0,0|2,0,1]=4 1432 B5R0.1 CC(C)=CCO Amb4605830 [0,0,1,0,0,0|1,1,1]=4 1433 B5R0.1 CC(C)=CCS Amb17617244 [0,0,1,0,0,0|1,0,1]=3 1434 B5R0.1 CC(C)CCBr Amb2795762 [0,0,1,0,0,0|2,0,1]=4 1435 B5R0.1 CC(C)CCCl Amb3941523 [0,0,1,0,0,0|2,0,1]=4 1436 B5R0.1 CC(C)CCI Amb6296701 [0,0,1,0,0,0|2,0,1]=4 1437 B5R0.1 CC(C)CCN Amb22337707 [0,0,1,0,0,0|2,0,1]=4 1438 B5R0.1 CC(C)CCN Amb3939010 [0,0,1,0,0,0|2,0,1]=4 1439 B5R0.1 CC(C)CCO Amb4605831 [0,0,1,0,0,0|1,1,1]=4 1440 B5R0.1 CC(C)CCS Amb8513472 [0,0,1,0,0,0|1,0,1]=3 1441 B5R0.1 CC(Cl)CCBr Amb27412989 [0,0,1,0,0,0|2,0,1]=4 1442 B5R0.1 CC(Cl)CCF Amb27657075 [0,0,1,0,0,0|2,0,1]=4 1443 B5R0.1 CC(Cl)CCN Amb28383162 [0,0,1,0,0,0|2,0,1]=4 1444 B5R0.1 CC(Cl)CCO Amb27625144 [0,0,1,0,0,0|1,1,1]=4 1445 B5R0.1 CC(F)CCBr Amb27955878 [0,0,1,0,0,0|2,0,1]=4 1446 B5R0.1 CC(F)CCCl Amb28315660 [0,0,1,0,0,0|2,0,1]=4 1447 B5R0.1 CC(F)CCI Amb25146599 [0,0,1,0,0,0|2,0,1]=4 1448 B5R0.1 CC(F)CCN Amb26081186 [0,0,1,0,0,0|2,0,1]=4 1449 B5R0.1 CC(F)CCN Amb32653508 [0,0,1,0,0,0|2,0,1]=4 1450 B5R0.1 CC(F)CCO Amb21951900 [0,0,1,0,0,0|1,1,1]=4 1451 B5R0.1 CC(N)CCCl Amb26959021 [0,0,1,0,0,0|2,0,1]=4 1452 B5R0.1 CC(N)CCCl Amb32670914 [0,0,1,0,0,0|2,0,1]=4 1453 B5R0.1 CC(N)CCF Amb25811370 [0,0,1,0,0,0|2,0,1]=4 1454 B5R0.1 CC(N)CCN Amb18951361 [0,0,1,0,0,0|2,0,1]=4 1455 B5R0.1 CC(N)CCN Amb19338152 [0,0,1,0,0,0|2,0,1]=4 1456 B5R0.1 CC(N)CCO Amb2697504 [0,0,1,0,0,0|1,1,1]=4 1457 B5R0.1 CC(N)CCO Amb32666060 [0,0,1,0,0,0|1,1,1]=4 1458 B5R0.1 CC(N)CCS Amb28049414 [0,0,1,0,0,0|1,0,1]=3 1459 B5R0.1 CC(O)CCBr Amb33548043 [0,0,1,0,0,0|1,0,2]=4 1460 B5R0.1 CC(O)CCCl Amb24551052 [0,0,1,0,0,0|1,0,2]=4 1461 B5R0.1 CC(O)CCF Amb26449397 [0,0,1,0,0,0|1,0,2]=4 1462 B5R0.1 CC(O)CCN Amb32666140 [0,0,1,0,0,0|1,0,2]=4 1463 B5R0.1 CC(O)CCN Amb33537908 [0,0,1,0,0,0|1,0,2]=4 1464 B5R0.1 CC(O)CCO Amb6608662 [0,0,1,0,0,0|0,1,2]=4 1465 B5R0.1 CC(S)CCN Amb18908261 [0,0,1,0,0,0|1,1,1]=4 1466 B5R0.1 CC(S)CCN Amb32675067 [0,0,1,0,0,0|1,1,1]=4 1467 B5R0.1 CC(S)CCO Amb19148316 [0,0,1,0,0,0|0,2,1]=4 1468 B5R0.1 CC(S)CCS Amb22227722 [0,0,1,0,0,0|0,1,1]=3 1469 B5R0.1 CCC=C(C)C Amb22336412 [0,0,1,0,0,0|2,0,1]=4 1470 B5R0.1 CCCC(=N)N Amb10610381 [0,0,1,0,0,0|3,0,0]=4 1471 B5R0.1 CCCC(=N)N Amb2695914 [0,0,1,0,0,0|3,0,0]=4 1472 B5R0.1 CCCC(=O)Br Amb22734023 [0,0,1,0,0,0|2,0,0]=3 1473 B5R0.1 CCCC(=O)Cl Amb2792903 [0,0,1,0,0,0|2,0,0]=3 1474 B5R0.1 CCCC(=O)O Amb3939012 [0,0,1,0,0,0|2,0,0]=3 1475 B5R0.1 CCCC(=O)[O-] Amb8514901 [0,0,1,0,0,0|2,0,0]=3 1476 B5R0.1 CCCC(=S)Cl Amb24626931 [0,0,1,0,0,0|2,1,0]=4 1477 B5R0.1 CCCC(C)=O Amb6608910 [0,0,1,0,0,0|1,0,0]=2 1478 B5R0.1 CCCC(C)Br Amb3940201 [0,0,1,0,0,0|2,0,1]=4 1479 B5R0.1 CCCC(C)Cl Amb4018346 [0,0,1,0,0,0|2,0,1]=4 1480 B5R0.1 CCCC(C)I Amb17939400 [0,0,1,0,0,0|2,0,1]=4 1481 B5R0.1 CCCC(C)N Amb10609075 [0,0,1,0,0,0|2,0,1]=4 1482 B5R0.1 CCCC(C)N Amb3941259 [0,0,1,0,0,0|2,0,1]=4 1483 B5R0.1 CCCC(C)O Amb4605839 [0,0,1,0,0,0|1,0,2]=4 1484 B5R0.1 CCCC(C)S Amb7784731 [0,0,1,0,0,0|1,1,1]=4 1485 B5R0.1 CCCC(N)=O Amb3886524 [0,0,1,0,0,0|2,0,0]=3 1486 B5R0.1 CCCC(N)=S Amb6245403 [0,0,1,0,0,0|2,1,0]=4 1487 B5R0.1 CCCC(N)=[NH2+] Amb8384484 [0,0,1,0,0,0|3,0,0]=4 1488 B5R0.1 CCCC(O)=S Amb22229383 [0,0,1,0,0,0|2,0,1]=4 1489 B5R0.1 CCCN(C)C Amb22733186 [0,0,1,0,0,0|3,0,0]=4 1490 B5R0.1 CCCN(C)O Amb25024622 [0,0,1,0,0,0|2,0,1]=4 1491 B5R0.1 CCCS(=O)Cl Amb25025566 [0,0,1,0,0,0|3,0,0]=4 1492 B5R0.1 CCCS(=O)[O-] Amb19929119 [0,0,1,0,0,0|3,0,0]=4 1493 B5R0.1 CCCS(N)=O Amb24733579 [0,0,1,0,0,0|3,0,0]=4 1494 B5R0.1 CCC[C@@H](C)N Amb22898992 [0,0,1,0,0,0|2,0,1]=4 1495 B5R0.1 CCC[C@@H](C)N Amb23439500 [0,0,1,0,0,0|2,0,1]=4 1496 B5R0.1 CCC[C@@H](C)O Amb8628178 [0,0,1,0,0,0|1,0,2]=4 1497 B5R0.1 CCC[C@H](C)Br Amb27650565 [0,0,1,0,0,0|2,0,1]=4 1498 B5R0.1 CCC[C@H](C)N Amb21618754 [0,0,1,0,0,0|2,0,1]=4 1499 B5R0.1 CCC[C@H](C)N Amb31204590 [0,0,1,0,0,0|2,0,1]=4 1500 B5R0.1 CCC[C@H](C)O Amb8389338 [0,0,1,0,0,0|1,0,2]=4 1501 B5R0.1 CCC[N+](=O)[O-] Amb8513268 [0,0,1,0,0,0|3,0,0]=4 1502 B5R0.1 CCNC(=O)Cl Amb25791793 [0,0,1,0,0,0|3,0,0]=4 1503 B5R0.1 CCNC(C)=O Amb2780415 [0,0,1,0,0,0|2,0,0]=3 1504 B5R0.1 CCNC(N)=O Amb6608844 [0,0,1,0,0,0|3,0,0]=4 1505 B5R0.1 CCOC(=O)Cl Amb2793045 [0,0,1,0,0,0|3,0,0]=4 1506 B5R0.1 CCOC(=O)O Amb8393208 [0,0,1,0,0,0|3,0,0]=4 1507 B5R0.1 CCOC(C)=N Amb8394853 [0,0,1,0,0,0|3,0,0]=4 1508 B5R0.1 CCOC(C)=N Amb8514666 [0,0,1,0,0,0|3,0,0]=4 1509 B5R0.1 CCOC(C)=O Amb3940488 [0,0,1,0,0,0|2,0,0]=3 1510 B5R0.1 CCOC(C)=S Amb22047276 [0,0,1,0,0,0|2,1,0]=4 1511 B5R0.1 CCOC(N)=O Amb6608672 [0,0,1,0,0,0|3,0,0]=4 1512 B5R0.1 CCSC(=O)Cl Amb8516064 [0,0,1,0,0,0|3,0,0]=4 1513 B5R0.1 CCSC(C)=S Amb8394854 [0,0,1,0,0,0|2,1,0]=4 1514 B5R0.1 CN(Br)CCO Amb27405311 [0,0,1,0,0,0|2,1,0]=4 1515 B5R0.1 CN(C)CCBr Amb10603116 [0,0,1,0,0,0|3,0,0]=4 1516 B5R0.1 CN(C)CCBr Amb10608907 [0,0,1,0,0,0|3,0,0]=4 1517 B5R0.1 CN(C)CCCl Amb1152528 [0,0,1,0,0,0|3,0,0]=4 1518 B5R0.1 CN(C)CCCl Amb22233801 [0,0,1,0,0,0|3,0,0]=4 1519 B5R0.1 CN(C)CCCl Amb2519363 [0,0,1,0,0,0|3,0,0]=4 1520 B5R0.1 CN(C)CCF Amb27861975 [0,0,1,0,0,0|3,0,0]=4 1521 B5R0.1 CN(C)CCI Amb26601022 [0,0,1,0,0,0|3,0,0]=4 1522 B5R0.1 CN(C)CCI Amb32670598 [0,0,1,0,0,0|3,0,0]=4 1523 B5R0.1 CN(C)CCI Amb35781981 [0,0,1,0,0,0|3,0,0]=4 1524 B5R0.1 CN(C)CCN Amb2720698 [0,0,1,0,0,0|3,0,0]=4 1525 B5R0.1 CN(C)CCO Amb2793033 [0,0,1,0,0,0|2,1,0]=4 1526 B5R0.1 CN(C)CCS Amb7764632 [0,0,1,0,0,0|2,0,0]=3 1527 B5R0.1 CN(C)CCS Amb8513139 [0,0,1,0,0,0|2,0,0]=3 1528 B5R0.1 CN(Cl)CCO Amb27457982 [0,0,1,0,0,0|2,1,0]=4 1529 B5R0.1 CN(N)CCCl Amb28195254 [0,0,1,0,0,0|3,0,0]=4 1530 B5R0.1 CN(N)CCO Amb28400197 [0,0,1,0,0,0|2,1,0]=4 1531 B5R0.1 CN(O)CCCl Amb27473361 [0,0,1,0,0,0|2,0,1]=4 1532 B5R0.1 CN(O)CCF Amb33377280 [0,0,1,0,0,0|2,0,1]=4 1533 B5R0.1 CNC=C(C)C Amb28313754 [0,0,1,0,0,0|2,0,1]=4 1534 B5R0.1 CNCC(=O)O Amb6298808 [0,0,1,0,0,0|2,0,0]=3 1535 B5R0.1 CNCC(=O)O Amb6599996 [0,0,1,0,0,0|2,0,0]=3 1536 B5R0.1 CNCC(=O)[O-] Amb20246714 [0,0,1,0,0,0|2,0,0]=3 1537 B5R0.1 CNCC(C)=O Amb17621974 [0,0,1,0,0,0|1,0,0]=2 1538 B5R0.1 CNCC(C)=O Amb21959975 [0,0,1,0,0,0|1,0,0]=2 1539 B5R0.1 CNCC(C)C Amb1119103 [0,0,1,0,0,0|2,0,1]=4 1540 B5R0.1 CNCC(C)C Amb13951443 [0,0,1,0,0,0|2,0,1]=4 1541 B5R0.1 CNCC(C)Cl Amb28049706 [0,0,1,0,0,0|2,0,1]=4 1542 B5R0.1 CNCC(C)N Amb18281800 [0,0,1,0,0,0|2,0,1]=4 1543 B5R0.1 CNCC(C)N Amb20629142 [0,0,1,0,0,0|2,0,1]=4 1544 B5R0.1 CNCC(C)O Amb32666238 [0,0,1,0,0,0|1,0,2]=4 1545 B5R0.1 CNCC(C)O Amb9247471 [0,0,1,0,0,0|1,0,2]=4 1546 B5R0.1 CNCC(N)=O Amb19134307 [0,0,1,0,0,0|2,0,0]=3 1547 B5R0.1 CNCC(N)=O Amb3940074 [0,0,1,0,0,0|2,0,0]=3 1548 B5R0.1 CNCC(N)=O Amb9151172 [0,0,1,0,0,0|2,0,0]=3 1549 B5R0.1 CNC[C@@H](C)O Amb26972484 [0,0,1,0,0,0|1,0,2]=4 1550 B5R0.1 CNC[C@@H](C)O Amb32652763 [0,0,1,0,0,0|1,0,2]=4 1551 B5R0.1 CNC[C@H](C)N Amb27452084 [0,0,1,0,0,0|2,0,1]=4 1552 B5R0.1 CNC[C@H](C)O Amb27596614 [0,0,1,0,0,0|1,0,2]=4 1553 B5R0.1 CNC[C@H](C)O Amb32652861 [0,0,1,0,0,0|1,0,2]=4 1554 B5R0.1 CNN=C(C)C Amb25266075 [0,0,1,0,0,0|3,0,0]=4 1555 B5R0.1 CNOC(N)=O Amb28341734 [0,0,1,0,0,0|3,0,0]=4 1556 B5R0.1 CN\N=C(\C)N Amb20622969 [0,0,1,0,0,0|3,0,0]=4 1557 B5R0.1 CN\N=C(\C)N Amb33141031 [0,0,1,0,0,0|3,0,0]=4 1558 B5R0.1 COC=C(C)C Amb25063853 [0,0,1,0,0,0|1,1,1]=4 1559 B5R0.1 COCC(=N)N Amb2696281 [0,0,1,0,0,0|2,1,0]=4 1560 B5R0.1 COCC(=N)N Amb33551686 [0,0,1,0,0,0|2,1,0]=4 1561 B5R0.1 COCC(=O)Cl Amb3939326 [0,0,1,0,0,0|1,1,0]=3 1562 B5R0.1 COCC(=O)O Amb3939876 [0,0,1,0,0,0|1,1,0]=3 1563 B5R0.1 COCC(C)=O Amb8513767 [0,0,1,0,0,0|0,1,0]=2 1564 B5R0.1 COCC(C)Br Amb18180533 [0,0,1,0,0,0|1,1,1]=4 1565 B5R0.1 COCC(C)C Amb26897702 [0,0,1,0,0,0|1,1,1]=4 1566 B5R0.1 COCC(C)I Amb25361647 [0,0,1,0,0,0|1,1,1]=4 1567 B5R0.1 COCC(C)N Amb22233778 [0,0,1,0,0,0|1,1,1]=4 1568 B5R0.1 COCC(C)N Amb3939301 [0,0,1,0,0,0|1,1,1]=4 1569 B5R0.1 COCC(C)O Amb33544397 [0,0,1,0,0,0|0,1,2]=4 1570 B5R0.1 COCC(C)S Amb27647273 [0,0,1,0,0,0|0,2,1]=4 1571 B5R0.1 COCC(N)=O Amb1153776 [0,0,1,0,0,0|1,1,0]=3 1572 B5R0.1 COCC(N)=S Amb6268129 [0,0,1,0,0,0|1,2,0]=4 1573 B5R0.1 COCN(C)C Amb24407205 [0,0,1,0,0,0|2,1,0]=4 1574 B5R0.1 COC[C@@H](C)N Amb18529651 [0,0,1,0,0,0|1,1,1]=4 1575 B5R0.1 COC[C@@H](C)N Amb19149178 [0,0,1,0,0,0|1,1,1]=4 1576 B5R0.1 COC[C@@H](C)O Amb8383545 [0,0,1,0,0,0|0,1,2]=4 1577 B5R0.1 COC[C@H](C)N Amb17061637 [0,0,1,0,0,0|1,1,1]=4 1578 B5R0.1 COC[C@H](C)N Amb24052963 [0,0,1,0,0,0|1,1,1]=4 1579 B5R0.1 COC[C@H](C)O Amb8515770 [0,0,1,0,0,0|0,1,2]=4 1580 B5R0.1 CON=C(C)C Amb24118020 [0,0,1,0,0,0|2,1,0]=4 1581 B5R0.1 CONC(C)=O Amb25046114 [0,0,1,0,0,0|1,1,0]=3 1582 B5R0.1 CONC(C)=S Amb27759908 [0,0,1,0,0,0|1,2,0]=4 1583 B5R0.1 CONC(N)=O Amb2417193 [0,0,1,0,0,0|2,1,0]=4 1584 B5R0.1 CS(=O)CC#N Amb8471068 [0,0,1,0,0,0|2,0,1]=4 1585 B5R0.1 CS(=O)CCBr Amb28049280 [0,0,1,0,0,0|2,0,0]=3 1586 B5R0.1 CS(=O)CCCl Amb24116979 [0,0,1,0,0,0|2,0,0]=3 1587 B5R0.1 CS(=O)CCI Amb27752977 [0,0,1,0,0,0|2,0,0]=3 1588 B5R0.1 CS(=O)CCN Amb2786559 [0,0,1,0,0,0|2,0,0]=3 1589 B5R0.1 CS(=O)CCN Amb33543191 [0,0,1,0,0,0|2,0,0]=3 1590 B5R0.1 CS(=O)CCO Amb28075364 [0,0,1,0,0,0|1,1,0]=3 1591 B5R0.1 CSC=[N+](C)C Amb24323761 [0,0,1,0,0,0|2,0,1]=4 1592 B5R0.1 CSCC(=N)N Amb2696282 [0,0,1,0,0,0|2,0,0]=3 1593 B5R0.1 CSCC(=N)N Amb8630183 [0,0,1,0,0,0|2,0,0]=3 1594 B5R0.1 CSCC(=O)Cl Amb24528357 [0,0,1,0,0,0|1,0,0]=2 1595 B5R0.1 CSCC(=O)O Amb1152425 [0,0,1,0,0,0|1,0,0]=2 1596 B5R0.1 CSCC(C)=O Amb20621731 [0,0,1,0,0,0|0,0,0]=1 1597 B5R0.1 CSCC(C)Cl Amb24626062 [0,0,1,0,0,0|1,0,1]=3 1598 B5R0.1 CSCC(C)N Amb18963391 [0,0,1,0,0,0|1,0,1]=3 1599 B5R0.1 CSCC(C)O Amb20622311 [0,0,1,0,0,0|0,0,2]=3 1600 B5R0.1 CSCC(C)S Amb32788395 [0,0,1,0,0,0|0,1,1]=3 1601 B5R0.1 CSCC(Cl)Cl Amb26022177 [0,0,1,0,0,0|2,0,1]=4 1602 B5R0.1 CSCC(N)=O Amb19515874 [0,0,1,0,0,0|1,0,0]=2 1603 B5R0.1 CSCC(N)=S Amb17503394 [0,0,1,0,0,0|1,1,0]=3 1604 B5R0.1 CSCN(C)C Amb19889371 [0,0,1,0,0,0|2,0,0]=3 1605 B5R0.1 CSCS(C)=O Amb22045140 [0,0,1,0,0,0|1,0,0]=2 1606 B5R0.1 CSC[C@@H](C)N Amb27837685 [0,0,1,0,0,0|1,0,1]=3 1607 B5R0.1 CSC[C@@H](C)O Amb24408899 [0,0,1,0,0,0|0,0,2]=3 1608 B5R0.1 CSC[C@H](C)N Amb26537772 [0,0,1,0,0,0|1,0,1]=3 1609 B5R0.1 CSC[C@H](C)O Amb24699036 [0,0,1,0,0,0|0,0,2]=3 1610 B5R0.1 CSNC(C)=O Amb22500292 [0,0,1,0,0,0|1,0,0]=2 1611 B5R0.1 CSSC(=N)N Amb27390877 [0,0,1,0,0,0|3,0,0]=4 1612 B5R0.1 CSSC(C)C Amb26440590 [0,0,1,0,0,0|2,0,1]=4 1613 B5R0.1 C[C@@H](N)CCF Amb33481445 [0,0,1,0,0,0|2,0,1]=4 1614 B5R0.1 C[C@@H](N)CCO Amb19515999 [0,0,1,0,0,0|1,1,1]=4 1615 B5R0.1 C[C@@H](N)CCO Amb22746127 [0,0,1,0,0,0|1,1,1]=4 1616 B5R0.1 C[C@@H](O)CCBr Amb27392288 [0,0,1,0,0,0|1,0,2]=4 1617 B5R0.1 C[C@@H](O)CCF Amb33376906 [0,0,1,0,0,0|1,0,2]=4 1618 B5R0.1 C[C@@H](O)CCI Amb27594639 [0,0,1,0,0,0|1,0,2]=4 1619 B5R0.1 C[C@@H](O)CCN Amb22736702 [0,0,1,0,0,0|1,0,2]=4 1620 B5R0.1 C[C@@H](O)CCN Amb28555327 [0,0,1,0,0,0|1,0,2]=4 1621 B5R0.1 C[C@@H](O)CCO Amb4166294 [0,0,1,0,0,0|0,1,2]=4 1622 B5R0.1 C[C@@H](S)CCO Amb27255216 [0,0,1,0,0,0|0,2,1]=4 1623 B5R0.1 C[C@H](F)CCBr Amb28291619 [0,0,1,0,0,0|2,0,1]=4 1624 B5R0.1 C[C@H](F)CCO Amb28428651 [0,0,1,0,0,0|1,1,1]=4 1625 B5R0.1 C[C@H](N)CCF Amb33481439 [0,0,1,0,0,0|2,0,1]=4 1626 B5R0.1 C[C@H](N)CCO Amb19515998 [0,0,1,0,0,0|1,1,1]=4 1627 B5R0.1 C[C@H](N)CCO Amb24055217 [0,0,1,0,0,0|1,1,1]=4 1628 B5R0.1 C[C@H](O)CCBr Amb28367228 [0,0,1,0,0,0|1,0,2]=4 1629 B5R0.1 C[C@H](O)CCF Amb33376900 [0,0,1,0,0,0|1,0,2]=4 1630 B5R0.1 C[C@H](O)CCN Amb22736705 [0,0,1,0,0,0|1,0,2]=4 1631 B5R0.1 C[C@H](O)CCN Amb34159890 [0,0,1,0,0,0|1,0,2]=4 1632 B5R0.1 C[C@H](O)CCO Amb4166300 [0,0,1,0,0,0|0,1,2]=4 1633 B5R0.1 C[NH2+]CC(N)=O Amb4303509 [0,0,1,0,0,0|2,0,0]=3 1634 B5R0.1 C[S+](C)CCCl Amb22496543 [0,0,1,0,0,0|3,0,0]=4 1635 B5R0.1 C\C(Br)=C/CO Amb30621790 [0,0,1,0,0,0|1,1,1]=4 1636 B5R0.1 C\C(Cl)=C/CCl Amb25917865 [0,0,1,0,0,0|2,0,1]=4 1637 B5R0.1 C\C(Cl)=C\CCl Amb24564316 [0,0,1,0,0,0|2,0,1]=4 1638 B5R0.1 C\C(Cl)=C\CI Amb27185852 [0,0,1,0,0,0|2,0,1]=4 1639 B5R0.1 C\C(Cl)=C\CN Amb2693573 [0,0,1,0,0,0|2,0,1]=4 1640 B5R0.1 C\C(Cl)=C\CO Amb25663061 [0,0,1,0,0,0|1,1,1]=4 1641 B5R0.1 C\C(I)=C/CO Amb17616110 [0,0,1,0,0,0|1,1,1]=4 1642 B5R0.1 C\C(I)=C\CCl Amb27619763 [0,0,1,0,0,0|2,0,1]=4 1643 B5R0.1 C\C(I)=C\CI Amb27843437 [0,0,1,0,0,0|2,0,1]=4 1644 B5R0.1 C\C(I)=C\CN Amb27216485 [0,0,1,0,0,0|2,0,1]=4 1645 B5R0.1 C\C(I)=C\CO Amb30621783 [0,0,1,0,0,0|1,1,1]=4 1646 B5R0.1 C\C(O)=C\CN Amb33294274 [0,0,1,0,0,0|1,0,2]=4 1647 B5R0.1 C\C=C/C(=O)O Amb27779315 [0,0,1,0,0,0|2,0,1]=4 1648 B5R0.1 C\C=C/C(C)=O Amb28351405 [0,0,1,0,0,0|1,0,1]=3 1649 B5R0.1 C\C=C\C(=O)Br Amb25026006 [0,0,1,0,0,0|2,0,1]=4 1650 B5R0.1 C\C=C\C(=O)Cl Amb8517577 [0,0,1,0,0,0|2,0,1]=4 1651 B5R0.1 C\C=C\C(=O)O Amb8385856 [0,0,1,0,0,0|2,0,1]=4 1652 B5R0.1 C\C=C\C(C)=O Amb33941980 [0,0,1,0,0,0|1,0,1]=3 1653 B5R0.1 C\C=C\C(N)=O Amb4025906 [0,0,1,0,0,0|2,0,1]=4 1654 B5R0.1 C\C=N\S(C)=O Amb35718869 [0,0,1,0,0,0|3,0,0]=4 1655 B5R0.1 FC(F)CCS Amb25025912 [0,0,1,0,0,0|2,0,1]=4 1656 B5R0.1 N#CCC(=O)Cl Amb17593096 [0,0,1,0,0,0|2,0,1]=4 1657 B5R0.1 N#CCC(=O)O Amb2609022 [0,0,1,0,0,0|2,0,1]=4 1658 B5R0.1 N#CCC(N)=O Amb6336473 [0,0,1,0,0,0|2,0,1]=4 1659 B5R0.1 N=C(Br)CCBr Amb27653883 [0,0,1,0,0,0|3,0,0]=4 1660 B5R0.1 N=C(N)CCBr Amb4297021 [0,0,1,0,0,0|3,0,0]=4 1661 B5R0.1 N=C(N)CCCl Amb25839424 [0,0,1,0,0,0|3,0,0]=4 1662 B5R0.1 N=C(N)CCF Amb26024692 [0,0,1,0,0,0|3,0,0]=4 1663 B5R0.1 N=C(N)CCN Amb27265608 [0,0,1,0,0,0|3,0,0]=4 1664 B5R0.1 N=C(N)CCN Amb32687503 [0,0,1,0,0,0|3,0,0]=4 1665 B5R0.1 N=C(N)CCN Amb33164129 [0,0,1,0,0,0|3,0,0]=4 1666 B5R0.1 N=C(N)CCO Amb2696134 [0,0,1,0,0,0|2,1,0]=4 1667 B5R0.1 N=C(N)CCO Amb8630168 [0,0,1,0,0,0|2,1,0]=4 1668 B5R0.1 NC(=O)CC=O Amb25777522 [0,0,1,0,0,0|1,1,1]=4 1669 B5R0.1 NC(=O)CCBr Amb21618712 [0,0,1,0,0,0|2,0,0]=3 1670 B5R0.1 NC(=O)CCCl Amb1127569 [0,0,1,0,0,0|2,0,0]=3 1671 B5R0.1 NC(=O)CCF Amb28289353 [0,0,1,0,0,0|2,0,0]=3 1672 B5R0.1 NC(=O)CCI Amb27966778 [0,0,1,0,0,0|2,0,0]=3 1673 B5R0.1 NC(=O)CCO Amb9421407 [0,0,1,0,0,0|1,1,0]=3 1674 B5R0.1 NC(=O)CCS Amb27154802 [0,0,1,0,0,0|1,0,0]=2 1675 B5R0.1 NC(=O)CNCl Amb28315673 [0,0,1,0,0,0|3,0,0]=4 1676 B5R0.1 NC(=O)NCO Amb17674341 [0,0,1,0,0,0|2,1,0]=4 1677 B5R0.1 NC(=O)SCCl Amb26419693 [0,0,1,0,0,0|3,0,0]=4 1678 B5R0.1 NC(=S)CCCl Amb33328368 [0,0,1,0,0,0|2,1,0]=4 1679 B5R0.1 NC(=S)CCF Amb27950563 [0,0,1,0,0,0|2,1,0]=4 1680 B5R0.1 NC(=S)CCO Amb8855295 [0,0,1,0,0,0|1,2,0]=4 1681 B5R0.1 NC(=S)CCS Amb17503271 [0,0,1,0,0,0|1,1,0]=3 1682 B5R0.1 NCCC(=O)Cl Amb24117140 [0,0,1,0,0,0|2,0,0]=3 1683 B5R0.1 NCCC(=O)O Amb1935127 [0,0,1,0,0,0|2,0,0]=3 1684 B5R0.1 NCCC(=O)[O-] Amb28991330 [0,0,1,0,0,0|2,0,0]=3 1685 B5R0.1 NCCC(N)=O Amb1137251 [0,0,1,0,0,0|2,0,0]=3 1686 B5R0.1 NCCC(N)=O Amb9147573 [0,0,1,0,0,0|2,0,0]=3 1687 B5R0.1 NCCC(N)=S Amb18523221 [0,0,1,0,0,0|2,1,0]=4 1688 B5R0.1 NCCC(N)=S Amb33456385 [0,0,1,0,0,0|2,1,0]=4 1689 B5R0.1 NCCS(=O)O Amb6600043 [0,0,1,0,0,0|3,0,0]=4 1690 B5R0.1 NCCS(N)=O Amb33512527 [0,0,1,0,0,0|3,0,0]=4 1691 B5R0.1 NCC[N+](=O)[O-] Amb18203119 [0,0,1,0,0,0|3,0,0]=4 1692 B5R0.1 NCC[PH](=O)O Amb22168066 [0,0,1,0,0,0|3,0,0]=4 1693 B5R0.1 NCC[PH](=O)O Amb35788864 [0,0,1,0,0,0|3,0,0]=4 1694 B5R0.1 NNCC(=O)O Amb32751165 [0,0,1,0,0,0|3,0,0]=4 1695 B5R0.1 NNCC(=O)O Amb6740299 [0,0,1,0,0,0|3,0,0]=4 1696 B5R0.1 NNCC(N)=O Amb32990162 [0,0,1,0,0,0|3,0,0]=4 1697 B5R0.1 NOCC(=O)O Amb1154237 [0,0,1,0,0,0|2,1,0]=4 1698 B5R0.1 NOCC(=O)O Amb4324355 [0,0,1,0,0,0|2,1,0]=4 1699 B5R0.1 NOCC(=O)O Amb8513076 [0,0,1,0,0,0|2,1,0]=4 1700 B5R0.1 NOCC(N)=O Amb33528973 [0,0,1,0,0,0|2,1,0]=4 1701 B5R0.1 NS(=O)CCCl Amb24407159 [0,0,1,0,0,0|3,0,0]=4 1702 B5R0.1 NS(=O)CCF Amb32720391 [0,0,1,0,0,0|3,0,0]=4 1703 B5R0.1 NS(=O)CCO Amb32720357 [0,0,1,0,0,0|2,1,0]=4 1704 B5R0.1 O=C(Br)CCBr Amb24624022 [0,0,1,0,0,0|2,0,0]=3 1705 B5R0.1 O=C(Cl)CCBr Amb3941484 [0,0,1,0,0,0|2,0,0]=3 1706 B5R0.1 O=C(Cl)CCCl Amb3939313 [0,0,1,0,0,0|2,0,0]=3 1707 B5R0.1 O=C(Cl)CCF Amb27148631 [0,0,1,0,0,0|2,0,0]=3 1708 B5R0.1 O=C(Cl)CCI Amb28454579 [0,0,1,0,0,0|2,0,0]=3 1709 B5R0.1 O=C(Cl)CCO Amb27270014 [0,0,1,0,0,0|1,1,0]=3 1710 B5R0.1 O=C(Cl)NCCl Amb28315820 [0,0,1,0,0,0|3,0,0]=4 1711 B5R0.1 O=C(Cl)OCCl Amb8389474 [0,0,1,0,0,0|3,0,0]=4 1712 B5R0.1 O=C(F)CCCl Amb27257545 [0,0,1,0,0,0|2,0,0]=3 1713 B5R0.1 O=C(F)OCCl Amb27860169 [0,0,1,0,0,0|3,0,0]=4 1714 B5R0.1 O=C(O)CCBr Amb2685479 [0,0,1,0,0,0|2,0,0]=3 1715 B5R0.1 O=C(O)CCCl Amb5395408 [0,0,1,0,0,0|2,0,0]=3 1716 B5R0.1 O=C(O)CCF Amb10603694 [0,0,1,0,0,0|2,0,0]=3 1717 B5R0.1 O=C(O)CCI Amb2688882 [0,0,1,0,0,0|2,0,0]=3 1718 B5R0.1 O=C(O)CCO Amb2688785 [0,0,1,0,0,0|1,1,0]=3 1719 B5R0.1 O=C(O)CCS Amb6608916 [0,0,1,0,0,0|1,0,0]=2 1720 B5R0.1 O=C(O)CNO Amb24120360 [0,0,1,0,0,0|2,1,0]=4 1721 B5R0.1 O=C(O)\C=C\S Amb28401590 [0,0,1,0,0,0|1,0,2]=4 1722 B5R0.1 O=C(S)CCCl Amb27461454 [0,0,1,0,0,0|2,0,0]=3 1723 B5R0.1 O=C([O-])CCO Amb22055495 [0,0,1,0,0,0|1,1,0]=3 1724 B5R0.1 O=C([O-])NCCl Amb27777248 [0,0,1,0,0,0|3,0,0]=4 1725 B5R0.1 O=CCC(=O)O Amb22169407 [0,0,1,0,0,0|1,1,1]=4 1726 B5R0.1 O=CCC(=O)[Na] Amb27949540 [0,0,1,0,0,0|1,1,1]=4 1727 B5R0.1 O=S(Cl)CCCl Amb26494051 [0,0,1,0,0,0|3,0,0]=4 1728 B5R0.1 O=S(Cl)CCF Amb32720386 [0,0,1,0,0,0|3,0,0]=4 1729 B5R0.1 O=S(Cl)CCO Amb32720404 [0,0,1,0,0,0|2,1,0]=4 1730 B5R0.1 O=S(O)CCO Amb25937057 [0,0,1,0,0,0|2,1,0]=4 1731 B5R0.1 O=S([O-])CCCl Amb27639192 [0,0,1,0,0,0|3,0,0]=4 1732 B5R0.1 O=S([O-])CCF Amb27213259 [0,0,1,0,0,0|3,0,0]=4 1733 B5R0.1 O=S([O-])CCO Amb32754124 [0,0,1,0,0,0|2,1,0]=4 1734 B5R0.1 O=[N+]([O-])CCBr Amb25965752 [0,0,1,0,0,0|3,0,0]=4 1735 B5R0.1 O=[N+]([O-])CCCl Amb28381478 [0,0,1,0,0,0|3,0,0]=4 1736 B5R0.1 O=[N+]([O-])CCF Amb17674352 [0,0,1,0,0,0|3,0,0]=4 1737 B5R0.1 O=[N+]([O-])CCO Amb3940447 [0,0,1,0,0,0|2,1,0]=4 1738 B5R0.1 O=[N+]([O-])CCS Amb26620894 [0,0,1,0,0,0|2,0,0]=3 1739 B5R0.1 OC(O)CCS Amb25746150 [0,0,1,0,0,0|1,0,2]=4 1740 B5R0.1 SCC=C(Cl)Cl Amb35719516 [0,0,1,0,0,0|2,0,1]=4 1741 B5R0.1 [C-]#[N+]CC(=C)C Amb33199610 [0,0,1,0,0,0|2,0,1]=4 1742 B5R0.2 C#CCCC=C Amb18117518 [0,0,1,0,0,0|2,0,1]=4 1743 B5R0.2 C#CCCC=O Amb28049678 [0,0,1,0,0,0|1,0,1]=3 1744 B5R0.2 C#CCCCC Amb4135448 [0,0,1,0,0,0|2,0,1]=4 1745 B5R0.2 C#CCCNC Amb18962433 [0,0,1,0,0,0|2,0,1]=4 1746 B5R0.2 C#CCCNC Amb33339156 [0,0,1,0,0,0|2,0,1]=4 1747 B5R0.2 C#CCCNC Amb33611652 [0,0,1,0,0,0|2,0,1]=4 1748 B5R0.2 C#CCCOC Amb18117254 [0,0,1,0,0,0|1,1,1]=4 1749 B5R0.2 C#CCCSC Amb24579788 [0,0,1,0,0,0|1,0,1]=3 1750 B5R0.2 C#CCNCC Amb10610192 [0,0,1,0,0,0|2,0,1]=4 1751 B5R0.2 C#CCNCC Amb6683724 [0,0,1,0,0,0|2,0,1]=4 1752 B5R0.2 C#CCOCC Amb17673317 [0,0,1,0,0,0|1,1,1]=4 1753 B5R0.2 C#CCSCC Amb3941533 [0,0,1,0,0,0|1,0,1]=3 1754 B5R0.2 C#NCCCC Amb31132446 [0,0,1,0,0,0|3,0,0]=4 1755 B5R0.2 C=C=CCC=O Amb27234481 [0,0,1,0,0,0|1,0,2]=4 1756 B5R0.2 C=CC#CCC Amb24333935 [0,0,1,0,0,0|2,0,1]=4 1757 B5R0.2 C=CCCC#N Amb10605750 [0,0,1,0,0,0|3,0,0]=4 1758 B5R0.2 C=CCCC=C Amb8513514 [0,0,1,0,0,0|2,0,1]=4 1759 B5R0.2 C=CCCC=O Amb4358616 [0,0,1,0,0,0|1,0,1]=3 1760 B5R0.2 C=CCCCBr Amb3940219 [0,0,1,0,0,0|3,0,0]=4 1761 B5R0.2 C=CCCCC Amb3940497 [0,0,1,0,0,0|2,0,0]=3 1762 B5R0.2 C=CCCCCl Amb22229585 [0,0,1,0,0,0|3,0,0]=4 1763 B5R0.2 C=CCCCF Amb25689705 [0,0,1,0,0,0|3,0,0]=4 1764 B5R0.2 C=CCCCI Amb25278794 [0,0,1,0,0,0|3,0,0]=4 1765 B5R0.2 C=CCCCN Amb18299670 [0,0,1,0,0,0|3,0,0]=4 1766 B5R0.2 C=CCCCN Amb22001451 [0,0,1,0,0,0|3,0,0]=4 1767 B5R0.2 C=CCCCO Amb8513439 [0,0,1,0,0,0|3,0,0]=4 1768 B5R0.2 C=CCCC[CH2-] Amb32644015 [0,0,1,0,0,0|2,0,1]=4 1769 B5R0.2 C=CCCNC Amb18993048 [0,0,1,0,0,0|2,0,0]=3 1770 B5R0.2 C=CCCNC Amb33553635 [0,0,1,0,0,0|2,0,0]=3 1771 B5R0.2 C=CCCOC Amb28065418 [0,0,1,0,0,0|1,1,0]=3 1772 B5R0.2 C=CCCON Amb22233632 [0,0,1,0,0,0|2,1,0]=4 1773 B5R0.2 C=CCCON Amb22896384 [0,0,1,0,0,0|2,1,0]=4 1774 B5R0.2 C=CCCSC Amb24431590 [0,0,1,0,0,0|1,0,0]=2 1775 B5R0.2 C=CCNC=O Amb2781857 [0,0,1,0,0,0|2,0,1]=4 1776 B5R0.2 C=CCNCC Amb13951161 [0,0,1,0,0,0|2,0,0]=3 1777 B5R0.2 C=CCNCC Amb6683951 [0,0,1,0,0,0|2,0,0]=3 1778 B5R0.2 C=CCOCBr Amb28384107 [0,0,1,0,0,0|2,1,0]=4 1779 B5R0.2 C=CCOCC Amb2684299 [0,0,1,0,0,0|1,1,0]=3 1780 B5R0.2 C=CCOCCl Amb28429831 [0,0,1,0,0,0|2,1,0]=4 1781 B5R0.2 C=CCONC Amb32411015 [0,0,1,0,0,0|2,1,0]=4 1782 B5R0.2 C=CCSC#N Amb28461558 [0,0,1,0,0,0|2,0,1]=4 1783 B5R0.2 C=CCSCC Amb6366495 [0,0,1,0,0,0|1,0,0]=2 1784 B5R0.2 C=CCSCCl Amb25859631 [0,0,1,0,0,0|2,0,0]=3 1785 B5R0.2 C=CCSSC Amb22730604 [0,0,1,0,0,0|2,0,0]=3 1786 B5R0.2 C=CC\C=C/C Amb26426294 [0,0,1,0,0,0|2,0,1]=4 1787 B5R0.2 C=CNCCC Amb27461242 [0,0,1,0,0,0|3,0,0]=4 1788 B5R0.2 C=COCCC Amb17940706 [0,0,1,0,0,0|3,0,0]=4 1789 B5R0.2 C=COCOC Amb28131655 [0,0,1,0,0,0|2,1,0]=4 1790 B5R0.2 C=C\C=C\CC Amb8513434 [0,0,1,0,0,0|2,0,1]=4 1791 B5R0.2 CC#CCC=O Amb27850282 [0,0,1,0,0,0|1,0,1]=3 1792 B5R0.2 CC#CCSC Amb25362650 [0,0,1,0,0,0|1,0,2]=4 1793 B5R0.2 CCC#CC=O Amb25663194 [0,0,1,0,0,0|1,0,1]=3 1794 B5R0.2 CCC=C=CBr Amb27194333 [0,0,1,0,0,0|2,0,1]=4 1795 B5R0.2 CCCCC#N Amb6662839 [0,0,1,0,0,0|2,0,1]=4 1796 B5R0.2 CCCCC=O Amb3939655 [0,0,1,0,0,0|1,0,0]=2 1797 B5R0.2 CCCCCBr Amb3940084 [0,0,1,0,0,0|2,0,1]=4 1798 B5R0.2 CCCCCC Amb2447471 [0,0,1,0,0,0|2,0,1]=4 1799 B5R0.2 CCCCCCl Amb8514576 [0,0,1,0,0,0|2,0,1]=4 1800 B5R0.2 CCCCCF Amb10838686 [0,0,1,0,0,0|2,0,1]=4 1801 B5R0.2 CCCCCI Amb6891946 [0,0,1,0,0,0|2,0,1]=4 1802 B5R0.2 CCCCCN Amb3939830 [0,0,1,0,0,0|2,0,1]=4 1803 B5R0.2 CCCCCO Amb3939051 [0,0,1,0,0,0|1,0,2]=4 1804 B5R0.2 CCCCCS Amb8513287 [0,0,1,0,0,0|1,1,1]=4 1805 B5R0.2 CCCCC[SiH3] Amb19893989 [0,0,1,0,0,0|2,0,1]=4 1806 B5R0.2 CCCCNC Amb3939351 [0,0,1,0,0,0|2,0,1]=4 1807 B5R0.2 CCCCNN Amb1105203 [0,0,1,0,0,0|3,0,0]=4 1808 B5R0.2 CCCCNN Amb22230363 [0,0,1,0,0,0|3,0,0]=4 1809 B5R0.2 CCCCNN Amb33055062 [0,0,1,0,0,0|3,0,0]=4 1810 B5R0.2 CCCCNO Amb24686451 [0,0,1,0,0,0|2,0,1]=4 1811 B5R0.2 CCCCNO Amb32687485 [0,0,1,0,0,0|2,0,1]=4 1812 B5R0.2 CCCCON Amb17101066 [0,0,1,0,0,0|3,0,0]=4 1813 B5R0.2 CCCCON Amb6308542 [0,0,1,0,0,0|3,0,0]=4 1814 B5R0.2 CCCCSC Amb4036342 [0,0,1,0,0,0|1,0,1]=3 1815 B5R0.2 CCCN=C=O Amb3939331 [0,0,1,0,0,0|2,0,1]=4 1816 B5R0.2 CCCNC=S Amb27754027 [0,0,1,0,0,0|2,1,0]=4 1817 B5R0.2 CCCNCC Amb3939843 [0,0,1,0,0,0|2,0,1]=4 1818 B5R0.2 CCCOCC Amb17673668 [0,0,1,0,0,0|1,1,1]=4 1819 B5R0.2 CCCSCC Amb22168047 [0,0,1,0,0,0|1,0,1]=3 1820 B5R0.2 CCCSCCl Amb28146719 [0,0,1,0,0,0|2,0,1]=4 1821 B5R0.2 CCC\C=C\Br Amb17673688 [0,0,1,0,0,0|2,0,1]=4 1822 B5R0.2 CCC\C=C\Cl Amb25026521 [0,0,1,0,0,0|2,0,1]=4 1823 B5R0.2 CCC\C=C\N Amb27217273 [0,0,1,0,0,0|2,0,1]=4 1824 B5R0.2 CCNCC#N Amb6245416 [0,0,1,0,0,0|2,0,1]=4 1825 B5R0.2 CCNCCBr Amb27950012 [0,0,1,0,0,0|2,0,1]=4 1826 B5R0.2 CCNCCCl Amb17334050 [0,0,1,0,0,0|2,0,1]=4 1827 B5R0.2 CCNCCCl Amb33869917 [0,0,1,0,0,0|2,0,1]=4 1828 B5R0.2 CCNCCF Amb27858242 [0,0,1,0,0,0|2,0,1]=4 1829 B5R0.2 CCNCCI Amb27856942 [0,0,1,0,0,0|2,0,1]=4 1830 B5R0.2 CCNCCN Amb6297789 [0,0,1,0,0,0|2,0,1]=4 1831 B5R0.2 CCNCCO Amb19372818 [0,0,1,0,0,0|1,0,2]=4 1832 B5R0.2 CCNCCO Amb3940070 [0,0,1,0,0,0|1,0,2]=4 1833 B5R0.2 CCNCCP Amb27188285 [0,0,1,0,0,0|2,0,1]=4 1834 B5R0.2 CCOCC#N Amb6263119 [0,0,1,0,0,0|1,1,1]=4 1835 B5R0.2 CCOCCBr Amb1158671 [0,0,1,0,0,0|1,1,1]=4 1836 B5R0.2 CCOCCCl Amb8390350 [0,0,1,0,0,0|1,1,1]=4 1837 B5R0.2 CCOCCI Amb25117446 [0,0,1,0,0,0|1,1,1]=4 1838 B5R0.2 CCOCCN Amb1130918 [0,0,1,0,0,0|1,1,1]=4 1839 B5R0.2 CCOCCN Amb29844456 [0,0,1,0,0,0|1,1,1]=4 1840 B5R0.2 CCOCCO Amb3939142 [0,0,1,0,0,0|0,1,2]=4 1841 B5R0.2 CCOCCS Amb9316644 [0,0,1,0,0,0|0,2,1]=4 1842 B5R0.2 CCO\C=C/Br Amb2455970 [0,0,1,0,0,0|1,1,1]=4 1843 B5R0.2 CCO\C=C/Cl Amb28315611 [0,0,1,0,0,0|1,1,1]=4 1844 B5R0.2 CCO\C=C\Br Amb10068669 [0,0,1,0,0,0|1,1,1]=4 1845 B5R0.2 CCSCC#N Amb6680684 [0,0,1,0,0,0|1,0,1]=3 1846 B5R0.2 CCSCC=O Amb17940620 [0,0,1,0,0,0|0,0,0]=1 1847 B5R0.2 CCSCCBr Amb2685158 [0,0,1,0,0,0|1,0,1]=3 1848 B5R0.2 CCSCCCl Amb3940261 [0,0,1,0,0,0|1,0,1]=3 1849 B5R0.2 CCSCCN Amb2687948 [0,0,1,0,0,0|1,0,1]=3 1850 B5R0.2 CCSCCN Amb9825826 [0,0,1,0,0,0|1,0,1]=3 1851 B5R0.2 CCSCCO Amb1085958 [0,0,1,0,0,0|0,0,2]=3 1852 B5R0.2 CCSCCS Amb27167723 [0,0,1,0,0,0|0,1,1]=3 1853 B5R0.2 CCSSCC Amb8516624 [0,0,1,0,0,0|2,0,1]=4 1854 B5R0.2 CCSSCCl Amb28350437 [0,0,1,0,0,0|2,0,1]=4 1855 B5R0.2 CCSSSC Amb25073645 [0,0,1,0,0,0|3,0,0]=4 1856 B5R0.2 CCS\C=C/Cl Amb28244706 [0,0,1,0,0,0|1,0,1]=3 1857 B5R0.2 CC\C=C\C=O Amb33986391 [0,0,1,0,0,0|1,0,1]=3 1858 B5R0.2 CNCCC#N Amb3939367 [0,0,1,0,0,0|2,0,1]=4 1859 B5R0.2 CNCCCBr Amb28291325 [0,0,1,0,0,0|2,0,1]=4 1860 B5R0.2 CNCCCBr Amb33473632 [0,0,1,0,0,0|2,0,1]=4 1861 B5R0.2 CNCCCCl Amb22002154 [0,0,1,0,0,0|2,0,1]=4 1862 B5R0.2 CNCCCCl Amb3941419 [0,0,1,0,0,0|2,0,1]=4 1863 B5R0.2 CNCCCF Amb27405698 [0,0,1,0,0,0|2,0,1]=4 1864 B5R0.2 CNCCCN Amb2698065 [0,0,1,0,0,0|2,0,1]=4 1865 B5R0.2 CNCCCO Amb9246656 [0,0,1,0,0,0|1,0,2]=4 1866 B5R0.2 CNCCNC Amb4037059 [0,0,1,0,0,0|3,0,0]=4 1867 B5R0.2 CNCCNN Amb24117180 [0,0,1,0,0,0|3,0,0]=4 1868 B5R0.2 CNCCNO Amb27976196 [0,0,1,0,0,0|2,0,1]=4 1869 B5R0.2 CNCCOC Amb10609606 [0,0,1,0,0,0|2,1,0]=4 1870 B5R0.2 CNCCOC Amb2689126 [0,0,1,0,0,0|2,1,0]=4 1871 B5R0.2 CNCCSC Amb15701319 [0,0,1,0,0,0|2,0,0]=3 1872 B5R0.2 CNCCSC Amb20625111 [0,0,1,0,0,0|2,0,0]=3 1873 B5R0.2 CNC\C=C/I Amb23539307 [0,0,1,0,0,0|2,0,1]=4 1874 B5R0.2 CN\C=C\C=O Amb24564349 [0,0,1,0,0,0|1,0,2]=4 1875 B5R0.2 COCCC#N Amb2819688 [0,0,1,0,0,0|1,1,1]=4 1876 B5R0.2 COCCC=O Amb10602324 [0,0,1,0,0,0|0,1,0]=2 1877 B5R0.2 COCCCBr Amb8828205 [0,0,1,0,0,0|1,1,1]=4 1878 B5R0.2 COCCCCl Amb6255994 [0,0,1,0,0,0|1,1,1]=4 1879 B5R0.2 COCCCF Amb22007998 [0,0,1,0,0,0|1,1,1]=4 1880 B5R0.2 COCCCI Amb33546474 [0,0,1,0,0,0|1,1,1]=4 1881 B5R0.2 COCCCN Amb3939346 [0,0,1,0,0,0|1,1,1]=4 1882 B5R0.2 COCCCO Amb8385593 [0,0,1,0,0,0|0,1,2]=4 1883 B5R0.2 COCCCS Amb13952794 [0,0,1,0,0,0|0,2,1]=4 1884 B5R0.2 COCCNN Amb10609107 [0,0,1,0,0,0|2,1,0]=4 1885 B5R0.2 COCCNN Amb19374182 [0,0,1,0,0,0|2,1,0]=4 1886 B5R0.2 COCCNN Amb22233534 [0,0,1,0,0,0|2,1,0]=4 1887 B5R0.2 COCCNN Amb22587527 [0,0,1,0,0,0|2,1,0]=4 1888 B5R0.2 COCCNN Amb6248350 [0,0,1,0,0,0|2,1,0]=4 1889 B5R0.2 COCCNO Amb25284480 [0,0,1,0,0,0|1,1,1]=4 1890 B5R0.2 COCCOC Amb6741456 [0,0,1,0,0,0|2,1,0]=4 1891 B5R0.2 COCCON Amb17194148 [0,0,1,0,0,0|2,1,0]=4 1892 B5R0.2 COCCON Amb20623946 [0,0,1,0,0,0|2,1,0]=4 1893 B5R0.2 COCCSC Amb4020919 [0,0,1,0,0,0|2,0,0]=3 1894 B5R0.2 COCN=C=O Amb6265212 [0,0,1,0,0,0|1,1,1]=4 1895 B5R0.2 COCNC=O Amb28049834 [0,0,1,0,0,0|1,1,0]=3 1896 B5R0.2 CO\C=C/C=O Amb28049941 [0,0,1,0,0,0|0,1,2]=4 1897 B5R0.2 CO\C=C\C=O Amb26873964 [0,0,1,0,0,0|0,1,2]=4 1898 B5R0.2 CSCCC#N Amb17307555 [0,0,1,0,0,0|1,0,1]=3 1899 B5R0.2 CSCCC=O Amb3939952 [0,0,1,0,0,0|0,0,0]=1 1900 B5R0.2 CSCCCBr Amb18180189 [0,0,1,0,0,0|1,0,1]=3 1901 B5R0.2 CSCCCCl Amb10602296 [0,0,1,0,0,0|1,0,1]=3 1902 B5R0.2 CSCCCN Amb33801570 [0,0,1,0,0,0|1,0,1]=3 1903 B5R0.2 CSCCCN Amb6718923 [0,0,1,0,0,0|1,0,1]=3 1904 B5R0.2 CSCCCO Amb3939523 [0,0,1,0,0,0|0,0,2]=3 1905 B5R0.2 CSCCCS Amb25744031 [0,0,1,0,0,0|0,1,1]=3 1906 B5R0.2 CSCCNN Amb18640583 [0,0,1,0,0,0|2,0,0]=3 1907 B5R0.2 CSCCNO Amb33272071 [0,0,1,0,0,0|1,0,1]=3 1908 B5R0.2 CSCCON Amb25806571 [0,0,1,0,0,0|2,0,0]=3 1909 B5R0.2 CSCCSC Amb25101746 [0,0,1,0,0,0|2,0,0]=3 1910 B5R0.2 CSCSSC Amb25798526 [0,0,1,0,0,0|3,0,0]=4 1911 B5R0.2 CSC\C=N\O Amb22168142 [0,0,1,0,0,0|1,0,2]=4 1912 B5R0.2 CSSCCN Amb26850738 [0,0,1,0,0,0|2,0,1]=4 1913 B5R0.2 CSSCCN Amb32652424 [0,0,1,0,0,0|2,0,1]=4 1914 B5R0.2 C[SiH2]CCCN Amb28049027 [0,0,1,0,0,0|2,0,1]=4 1915 B5R0.2 C\C=C/CCC Amb6366719 [0,0,1,0,0,0|2,0,1]=4 1916 B5R0.2 C\C=C\CC=O Amb26655030 [0,0,1,0,0,0|1,0,1]=3 1917 B5R0.2 C\C=C\CNC Amb28049814 [0,0,1,0,0,0|2,0,1]=4 1918 B5R0.2 C\C=C\OCC Amb8516635 [0,0,1,0,0,0|1,1,1]=4 1919 B5R0.2 C\C=C\SSC Amb9790327 [0,0,1,0,0,0|2,0,1]=4 1920 B5R0.2 C\C=N\CCC Amb27954749 [0,0,1,0,0,0|3,0,0]=4 1921 B5R0.2 FCSCCCl Amb28252688 [0,0,1,0,0,0|2,0,1]=4 1922 B5R0.2 N#CCCC=O Amb3941009 [0,0,1,0,0,0|2,0,0]=3 1923 B5R0.2 N#CCOC=O Amb22347946 [0,0,1,0,0,0|3,0,0]=4 1924 B5R0.2 NCCCC=O Amb26851044 [0,0,1,0,0,0|2,0,0]=3 1925 B5R0.2 NCCCN=O Amb28049442 [0,0,1,0,0,0|3,0,0]=4 1926 B5R0.2 NCCOC=O Amb24612320 [0,0,1,0,0,0|3,0,0]=4 1927 B5R0.2 O=CCCC=O Amb8395090 [0,0,1,0,0,0|2,0,0]=3 1928 B5R0.2 O=CCCCBr Amb18644189 [0,0,1,0,0,0|2,0,0]=3 1929 B5R0.2 O=CCCCCl Amb8395190 [0,0,1,0,0,0|2,0,0]=3 1930 B5R0.2 O=CCCCF Amb24056028 [0,0,1,0,0,0|2,0,0]=3 1931 B5R0.2 O=CCCCI Amb27249641 [0,0,1,0,0,0|2,0,0]=3 1932 B5R0.2 O=CCCCO Amb24589235 [0,0,1,0,0,0|2,0,0]=3 1933 B5R0.2 O=CCCSS Amb22524519 [0,0,1,0,0,0|1,0,0]=2 1934 B5R0.2 O=CCNC=O Amb26370295 [0,0,1,0,0,0|2,0,1]=4 1935 B5R0.2 O=CC\C=C\Cl Amb24571938 [0,0,1,0,0,0|2,0,1]=4 1936 B5R0.2 O=CNCCF Amb28205988 [0,0,1,0,0,0|3,0,0]=4 1937 B5R0.2 O=COCCBr Amb27816149 [0,0,1,0,0,0|3,0,0]=4 1938 B5R0.2 O=COCCO Amb26625741 [0,0,1,0,0,0|3,0,0]=4 1939 B5R0.2 O=C\C=C\CCl Amb18122401 [0,0,1,0,0,0|2,0,1]=4 1940 B5R0.2 O=C\C=C\CF Amb33475269 [0,0,1,0,0,0|2,0,1]=4 1941 B5R0.2 O=C\C=C\CO Amb24356008 [0,0,1,0,0,0|2,0,1]=4 1942 B5R0.2 [C-]#[N+]CCCC Amb2235001 [0,0,1,0,0,0|3,0,0]=4 1943 B5R0.2 [C-]#[N+]CCOC Amb1981032 [0,0,1,0,0,0|2,1,0]=4 1944 B5R0.2 [C-]#[N+]CCSC Amb27222323 [0,0,1,0,0,0|2,0,0]=3 1945 B5R0.2 [N-]=[N+]=NCC=O Amb26953499 [0,0,1,0,0,0|3,0,0]=4 1946 B5R0.3 C#CC(=O)CBr Amb28144836 [0,0,1,0,0,0|1,0,2]=4 1947 B5R0.3 C#CC(=O)CC Amb25989183 [0,0,1,0,0,0|1,0,1]=3 1948 B5R0.3 C#CC(=O)CN Amb27424437 [0,0,1,0,0,0|1,0,2]=4 1949 B5R0.3 C#CC(=O)NC Amb25147319 [0,0,1,0,0,0|2,0,1]=4 1950 B5R0.3 C#CC(=O)OC Amb2725608 [0,0,1,0,0,0|2,0,1]=4 1951 B5R0.3 C=C(C#N)CC Amb33038421 [0,0,1,0,0,0|2,0,1]=4 1952 B5R0.3 C=C(C=O)CC Amb17940102 [0,0,1,0,0,0|1,1,1]=4 1953 B5R0.3 C=C(CBr)CBr Amb21858627 [0,0,1,0,0,0|3,0,0]=4 1954 B5R0.3 C=C(CBr)OC Amb25177183 [0,0,1,0,0,0|3,0,0]=4 1955 B5R0.3 C=C(CC)CBr Amb22059701 [0,0,1,0,0,0|2,0,0]=3 1956 B5R0.3 C=C(CC)CC Amb17940707 [0,0,1,0,0,0|2,0,0]=3 1957 B5R0.3 C=C(CC)CCl Amb26959470 [0,0,1,0,0,0|2,0,0]=3 1958 B5R0.3 C=C(CC)CN Amb27195088 [0,0,1,0,0,0|2,0,0]=3 1959 B5R0.3 C=C(CC)CN Amb28555329 [0,0,1,0,0,0|2,0,0]=3 1960 B5R0.3 C=C(CC)CO Amb33549724 [0,0,1,0,0,0|1,1,0]=3 1961 B5R0.3 C=C(CCl)CCl Amb8515012 [0,0,1,0,0,0|3,0,0]=4 1962 B5R0.3 C=C(CCl)SC Amb27810808 [0,0,1,0,0,0|3,0,0]=4 1963 B5R0.3 C=C(CF)CBr Amb33478781 [0,0,1,0,0,0|3,0,0]=4 1964 B5R0.3 C=C(CF)CCl Amb25965988 [0,0,1,0,0,0|3,0,0]=4 1965 B5R0.3 C=C(CF)CF Amb25724490 [0,0,1,0,0,0|3,0,0]=4 1966 B5R0.3 C=C(CN)CF Amb33379299 [0,0,1,0,0,0|3,0,0]=4 1967 B5R0.3 C=C(CN)CN Amb24640362 [0,0,1,0,0,0|3,0,0]=4 1968 B5R0.3 C=C(CN)CO Amb26960439 [0,0,1,0,0,0|2,1,0]=4 1969 B5R0.3 C=C(CO)CBr Amb25662398 [0,0,1,0,0,0|2,1,0]=4 1970 B5R0.3 C=C(CO)CI Amb28119833 [0,0,1,0,0,0|2,1,0]=4 1971 B5R0.3 C=C(CO)CO Amb8515382 [0,0,1,0,0,0|2,1,0]=4 1972 B5R0.3 C=CC(=C)CC Amb28141349 [0,0,1,0,0,0|2,0,1]=4 1973 B5R0.3 C=CC(=O)CBr Amb10602446 [0,0,1,0,0,0|1,0,2]=4 1974 B5R0.3 C=CC(=O)CC Amb3940490 [0,0,1,0,0,0|1,0,1]=3 1975 B5R0.3 C=CC(=O)CCl Amb27211112 [0,0,1,0,0,0|1,0,2]=4 1976 B5R0.3 C=CC(=O)CO Amb28074769 [0,0,1,0,0,0|0,1,2]=4 1977 B5R0.3 C=CC(=O)NC Amb9480402 [0,0,1,0,0,0|2,0,1]=4 1978 B5R0.3 C=CC(=O)OC Amb22351400 [0,0,1,0,0,0|2,0,1]=4 1979 B5R0.3 C=CC(=O)OC Amb2793072 [0,0,1,0,0,0|2,0,1]=4 1980 B5R0.3 CC(CN)CS Amb18251064 [0,0,1,0,0,0|2,0,1]=4 1981 B5R0.3 CC(CO)CS Amb19375381 [0,0,1,0,0,0|2,0,1]=4 1982 B5R0.3 CCC(=N)C#N Amb28313691 [0,0,1,0,0,0|2,0,1]=4 1983 B5R0.3 CCC(=N)NO Amb19515903 [0,0,1,0,0,0|2,1,0]=4 1984 B5R0.3 CCC(=O)C#N Amb17231799 [0,0,1,0,0,0|1,0,1]=3 1985 B5R0.3 CCC(=O)C=O Amb22228532 [0,0,1,0,0,0|0,1,1]=3 1986 B5R0.3 CCC(=O)CBr Amb2684976 [0,0,1,0,0,0|1,0,0]=2 1987 B5R0.3 CCC(=O)CC Amb4605995 [0,0,1,0,0,0|1,0,0]=2 1988 B5R0.3 CCC(=O)CCl Amb19338105 [0,0,1,0,0,0|1,0,0]=2 1989 B5R0.3 CCC(=O)CF Amb23454809 [0,0,1,0,0,0|1,0,0]=2 1990 B5R0.3 CCC(=O)CN Amb18203134 [0,0,1,0,0,0|1,0,0]=2 1991 B5R0.3 CCC(=O)CN Amb19959206 [0,0,1,0,0,0|1,0,0]=2 1992 B5R0.3 CCC(=O)CO Amb22227965 [0,0,1,0,0,0|0,1,0]=2 1993 B5R0.3 CCC(=O)CO Amb33529428 [0,0,1,0,0,0|0,1,0]=2 1994 B5R0.3 CCC(=O)CS Amb27843254 [0,0,1,0,0,0|0,0,0]=1 1995 B5R0.3 CCC(=O)NN Amb1104708 [0,0,1,0,0,0|2,0,0]=3 1996 B5R0.3 CCC(=O)NO Amb6273963 [0,0,1,0,0,0|1,1,0]=3 1997 B5R0.3 CCC(=O)OC Amb8513418 [0,0,1,0,0,0|2,0,0]=3 1998 B5R0.3 CCC(=S)NN Amb26505324 [0,0,1,0,0,0|2,1,0]=4 1999 B5R0.3 CCC(=S)OC Amb22168046 [0,0,1,0,0,0|2,1,0]=4 2000 B5R0.3 CCC(=[OH-])CC Amb27749891 [0,0,1,0,0,0|1,0,1]=3 2001 B5R0.3 CCC(Br)CBr Amb8515357 [0,0,1,0,0,0|2,0,1]=4 2002 B5R0.3 CCC(Br)CC Amb3940200 [0,0,1,0,0,0|2,0,1]=4 2003 B5R0.3 CCC(Br)CN Amb28458424 [0,0,1,0,0,0|2,0,1]=4 2004 B5R0.3 CCC(Br)CO Amb27637663 [0,0,1,0,0,0|1,1,1]=4 2005 B5R0.3 CCC(C)CBr Amb2720734 [0,0,1,0,0,0|2,0,1]=4 2006 B5R0.3 CCC(C)CCl Amb3940712 [0,0,1,0,0,0|2,0,1]=4 2007 B5R0.3 CCC(C)CI Amb22227967 [0,0,1,0,0,0|2,0,1]=4 2008 B5R0.3 CCC(C)CN Amb2725537 [0,0,1,0,0,0|2,0,1]=4 2009 B5R0.3 CCC(C)CN Amb28555320 [0,0,1,0,0,0|2,0,1]=4 2010 B5R0.3 CCC(C)CO Amb3939046 [0,0,1,0,0,0|1,1,1]=4 2011 B5R0.3 CCC(C)CS Amb8513832 [0,0,1,0,0,0|1,0,1]=3 2012 B5R0.3 CCC(Cl)CF Amb28200727 [0,0,1,0,0,0|2,0,1]=4 2013 B5R0.3 CCC(Cl)CN Amb28461612 [0,0,1,0,0,0|2,0,1]=4 2014 B5R0.3 CCC(Cl)CO Amb22011826 [0,0,1,0,0,0|1,1,1]=4 2015 B5R0.3 CCC(Cl)CS Amb28366326 [0,0,1,0,0,0|1,0,1]=3 2016 B5R0.3 CCC(F)CBr Amb24525153 [0,0,1,0,0,0|2,0,1]=4 2017 B5R0.3 CCC(F)CC Amb24372682 [0,0,1,0,0,0|2,0,1]=4 2018 B5R0.3 CCC(F)CCl Amb27874078 [0,0,1,0,0,0|2,0,1]=4 2019 B5R0.3 CCC(F)CF Amb28325139 [0,0,1,0,0,0|2,0,1]=4 2020 B5R0.3 CCC(F)CN Amb20622434 [0,0,1,0,0,0|2,0,1]=4 2021 B5R0.3 CCC(F)CN Amb28314433 [0,0,1,0,0,0|2,0,1]=4 2022 B5R0.3 CCC(F)CO Amb27454301 [0,0,1,0,0,0|1,1,1]=4 2023 B5R0.3 CCC(I)CC Amb17673918 [0,0,1,0,0,0|2,0,1]=4 2024 B5R0.3 CCC(N)CBr Amb26491532 [0,0,1,0,0,0|2,0,1]=4 2025 B5R0.3 CCC(N)CC Amb3939864 [0,0,1,0,0,0|2,0,1]=4 2026 B5R0.3 CCC(N)CCl Amb28313277 [0,0,1,0,0,0|2,0,1]=4 2027 B5R0.3 CCC(N)CF Amb26601671 [0,0,1,0,0,0|2,0,1]=4 2028 B5R0.3 CCC(N)CF Amb32652398 [0,0,1,0,0,0|2,0,1]=4 2029 B5R0.3 CCC(N)CN Amb33534078 [0,0,1,0,0,0|2,0,1]=4 2030 B5R0.3 CCC(N)CN Amb9380664 [0,0,1,0,0,0|2,0,1]=4 2031 B5R0.3 CCC(N)CO Amb9703106 [0,0,1,0,0,0|1,1,1]=4 2032 B5R0.3 CCC(N)CS Amb18122513 [0,0,1,0,0,0|1,0,1]=3 2033 B5R0.3 CCC(N)CS Amb32693424 [0,0,1,0,0,0|1,0,1]=3 2034 B5R0.3 CCC(O)CBr Amb10844729 [0,0,1,0,0,0|1,0,2]=4 2035 B5R0.3 CCC(O)CC Amb4605838 [0,0,1,0,0,0|1,0,2]=4 2036 B5R0.3 CCC(O)CCl Amb33545087 [0,0,1,0,0,0|1,0,2]=4 2037 B5R0.3 CCC(O)CF Amb25810601 [0,0,1,0,0,0|1,0,2]=4 2038 B5R0.3 CCC(O)CN Amb2684362 [0,0,1,0,0,0|1,0,2]=4 2039 B5R0.3 CCC(O)CN Amb33526499 [0,0,1,0,0,0|1,0,2]=4 2040 B5R0.3 CCC(O)CO Amb8517157 [0,0,1,0,0,0|0,1,2]=4 2041 B5R0.3 CCC(O)CS Amb26546731 [0,0,1,0,0,0|0,0,2]=3 2042 B5R0.3 CCC(S)CC Amb7784704 [0,0,1,0,0,0|1,1,1]=4 2043 B5R0.3 CCC(S)CCl Amb27216986 [0,0,1,0,0,0|1,1,1]=4 2044 B5R0.3 CCC(S)CN Amb18908249 [0,0,1,0,0,0|1,1,1]=4 2045 B5R0.3 CCC(S)CN Amb33621229 [0,0,1,0,0,0|1,1,1]=4 2046 B5R0.3 CCC(S)CO Amb27211706 [0,0,1,0,0,0|0,2,1]=4 2047 B5R0.3 CCC(S)CS Amb8393144 [0,0,1,0,0,0|0,1,1]=3 2048 B5R0.3 CCN(C)CC Amb8513122 [0,0,1,0,0,0|3,0,0]=4 2049 B5R0.3 CCN(C)CN Amb27772202 [0,0,1,0,0,0|3,0,0]=4 2050 B5R0.3 CCN(N)CC Amb836813 [0,0,1,0,0,0|3,0,0]=4 2051 B5R0.3 CCN(O)CC Amb8395098 [0,0,1,0,0,0|2,0,1]=4 2052 B5R0.3 CCP(Cl)CC Amb8516137 [0,0,1,0,0,0|3,0,0]=4 2053 B5R0.3 CC[AlH3](Cl)CC Amb8514172 [0,0,1,0,0,0|3,0,0]=4 2054 B5R0.3 CC[AlH3](Cl)CC Amb8517213 [0,0,1,0,0,0|3,0,0]=4 2055 B5R0.3 CC[C@@H](Br)CO Amb27863418 [0,0,1,0,0,0|1,1,1]=4 2056 B5R0.3 CC[C@@H](C)CBr Amb22800948 [0,0,1,0,0,0|2,0,1]=4 2057 B5R0.3 CC[C@@H](C)CN Amb22800554 [0,0,1,0,0,0|2,0,1]=4 2058 B5R0.3 CC[C@@H](C)CO Amb22799907 [0,0,1,0,0,0|1,1,1]=4 2059 B5R0.3 CC[C@@H](N)CF Amb33624248 [0,0,1,0,0,0|2,0,1]=4 2060 B5R0.3 CC[C@@H](N)CO Amb3940043 [0,0,1,0,0,0|1,1,1]=4 2061 B5R0.3 CC[C@@H](O)CI Amb25146583 [0,0,1,0,0,0|1,0,2]=4 2062 B5R0.3 CC[C@@H](O)CN Amb22232086 [0,0,1,0,0,0|1,0,2]=4 2063 B5R0.3 CC[C@@H](O)CO Amb20241381 [0,0,1,0,0,0|0,1,2]=4 2064 B5R0.3 CC[C@@H](O)CS Amb32679657 [0,0,1,0,0,0|0,0,2]=3 2065 B5R0.3 CC[C@H](C)CBr Amb22351674 [0,0,1,0,0,0|2,0,1]=4 2066 B5R0.3 CC[C@H](C)CCl Amb25728424 [0,0,1,0,0,0|2,0,1]=4 2067 B5R0.3 CC[C@H](C)CI Amb8515352 [0,0,1,0,0,0|2,0,1]=4 2068 B5R0.3 CC[C@H](C)CN Amb3939834 [0,0,1,0,0,0|2,0,1]=4 2069 B5R0.3 CC[C@H](C)CO Amb10844611 [0,0,1,0,0,0|1,1,1]=4 2070 B5R0.3 CC[C@H](N)CO Amb3939341 [0,0,1,0,0,0|1,1,1]=4 2071 B5R0.3 CC[C@H](O)CCl Amb27206742 [0,0,1,0,0,0|1,0,2]=4 2072 B5R0.3 CC[C@H](O)CF Amb27979190 [0,0,1,0,0,0|1,0,2]=4 2073 B5R0.3 CC[C@H](O)CI Amb8388903 [0,0,1,0,0,0|1,0,2]=4 2074 B5R0.3 CC[C@H](O)CN Amb23385250 [0,0,1,0,0,0|1,0,2]=4 2075 B5R0.3 CC[C@H](O)CN Amb8630398 [0,0,1,0,0,0|1,0,2]=4 2076 B5R0.3 CC[C@H](O)CO Amb20241380 [0,0,1,0,0,0|0,1,2]=4 2077 B5R0.3 CC[C@H](O)CS Amb32679670 [0,0,1,0,0,0|0,0,2]=3 2078 B5R0.3 CC[PH](=O)CC Amb28049809 [0,0,1,0,0,0|2,0,0]=3 2079 B5R0.3 CC[S+](C)CC Amb27954547 [0,0,1,0,0,0|3,0,0]=4 2080 B5R0.3 CC[SiH](Cl)CC Amb22730140 [0,0,1,0,0,0|2,1,0]=4 2081 B5R0.3 CC\C(C)=C\Cl Amb27848092 [0,0,1,0,0,0|2,0,1]=4 2082 B5R0.3 CC\C(C)=N\O Amb8516521 [0,0,1,0,0,0|2,1,0]=4 2083 B5R0.3 CC\C(N)=N/O Amb10609125 [0,0,1,0,0,0|2,1,0]=4 2084 B5R0.3 CC\C(N)=N\N Amb17934241 [0,0,1,0,0,0|3,0,0]=4 2085 B5R0.3 CC\C(N)=N\N Amb4296910 [0,0,1,0,0,0|3,0,0]=4 2086 B5R0.3 CC\C(N)=N\O Amb1125701 [0,0,1,0,0,0|2,1,0]=4 2087 B5R0.3 CC\C(N)=N\O Amb19883708 [0,0,1,0,0,0|2,1,0]=4 2088 B5R0.3 CNC(=N)CO Amb23514994 [0,0,1,0,0,0|2,1,0]=4 2089 B5R0.3 CNC(=O)C#N Amb28423537 [0,0,1,0,0,0|2,0,1]=4 2090 B5R0.3 CNC(=O)CBr Amb33541701 [0,0,1,0,0,0|2,0,0]=3 2091 B5R0.3 CNC(=O)CCl Amb6365480 [0,0,1,0,0,0|2,0,0]=3 2092 B5R0.3 CNC(=O)CI Amb23512488 [0,0,1,0,0,0|2,0,0]=3 2093 B5R0.3 CNC(=O)CN Amb2371053 [0,0,1,0,0,0|2,0,0]=3 2094 B5R0.3 CNC(=O)CN Amb436613 [0,0,1,0,0,0|2,0,0]=3 2095 B5R0.3 CNC(=O)CO Amb3375431 [0,0,1,0,0,0|1,1,0]=3 2096 B5R0.3 CNC(=O)CS Amb22348209 [0,0,1,0,0,0|1,0,0]=2 2097 B5R0.3 CNC(=O)NC Amb4037273 [0,0,1,0,0,0|3,0,0]=4 2098 B5R0.3 CNC(=O)NN Amb8854034 [0,0,1,0,0,0|3,0,0]=4 2099 B5R0.3 CNC(=O)NO Amb25185417 [0,0,1,0,0,0|2,1,0]=4 2100 B5R0.3 CNC(=O)OC Amb16185431 [0,0,1,0,0,0|3,0,0]=4 2101 B5R0.3 CNC(=S)CCl Amb28411477 [0,0,1,0,0,0|2,1,0]=4 2102 B5R0.3 CNC(=S)CN Amb26326922 [0,0,1,0,0,0|2,1,0]=4 2103 B5R0.3 CNC(C)CS Amb28397844 [0,0,1,0,0,0|2,0,1]=4 2104 B5R0.3 COC(=N)CBr Amb27206918 [0,0,1,0,0,0|3,0,0]=4 2105 B5R0.3 COC(=N)CCl Amb26458698 [0,0,1,0,0,0|3,0,0]=4 2106 B5R0.3 COC(=N)CCl Amb28991311 [0,0,1,0,0,0|3,0,0]=4 2107 B5R0.3 COC(=O)BF Amb27639427 [0,0,1,0,0,0|3,0,0]=4 2108 B5R0.3 COC(=O)C#N Amb22350567 [0,0,1,0,0,0|2,0,1]=4 2109 B5R0.3 COC(=O)C=O Amb29083438 [0,0,1,0,0,0|1,1,1]=4 2110 B5R0.3 COC(=O)C=O Amb8384463 [0,0,1,0,0,0|1,1,1]=4 2111 B5R0.3 COC(=O)CBr Amb3939968 [0,0,1,0,0,0|2,0,0]=3 2112 B5R0.3 COC(=O)CCl Amb2792917 [0,0,1,0,0,0|2,0,0]=3 2113 B5R0.3 COC(=O)CF Amb2689433 [0,0,1,0,0,0|2,0,0]=3 2114 B5R0.3 COC(=O)CI Amb22036593 [0,0,1,0,0,0|2,0,0]=3 2115 B5R0.3 COC(=O)CN Amb1153098 [0,0,1,0,0,0|2,0,0]=3 2116 B5R0.3 COC(=O)CN Amb534106 [0,0,1,0,0,0|2,0,0]=3 2117 B5R0.3 COC(=O)CO Amb2778433 [0,0,1,0,0,0|1,1,0]=3 2118 B5R0.3 COC(=O)CS Amb6608893 [0,0,1,0,0,0|1,0,0]=2 2119 B5R0.3 COC(=O)NN Amb1800924 [0,0,1,0,0,0|3,0,0]=4 2120 B5R0.3 COC(=O)OC Amb6609028 [0,0,1,0,0,0|3,0,0]=4 2121 B5R0.3 COC(=O)SCl Amb2689119 [0,0,1,0,0,0|3,0,0]=4 2122 B5R0.3 COC(C)CS Amb25887604 [0,0,1,0,0,0|2,0,1]=4 2123 B5R0.3 COS(=O)CCl Amb27468688 [0,0,1,0,0,0|3,0,0]=4 2124 B5R0.3 CSC(=O)C=O Amb28284177 [0,0,1,0,0,0|1,1,1]=4 2125 B5R0.3 CSC(=O)CN Amb27482013 [0,0,1,0,0,0|2,0,0]=3 2126 B5R0.3 CSC(=O)SC Amb19944681 [0,0,1,0,0,0|3,0,0]=4 2127 B5R0.3 C\C(=C/Cl)CS Amb24391502 [0,0,1,0,0,0|2,0,1]=4 2128 B5R0.3 C\C(CS)=N/O Amb22343051 [0,0,1,0,0,0|3,0,0]=4 2129 B5R0.3 C\C=C(/C)CBr Amb27954750 [0,0,1,0,0,0|2,0,1]=4 2130 B5R0.3 C\C=C(/C)CC Amb26540266 [0,0,1,0,0,0|2,0,1]=4 2131 B5R0.3 C\C=C(/C)CCl Amb33483104 [0,0,1,0,0,0|2,0,1]=4 2132 B5R0.3 C\C=C(/C)CI Amb27750414 [0,0,1,0,0,0|2,0,1]=4 2133 B5R0.3 C\C=C(/C)CO Amb26998405 [0,0,1,0,0,0|1,1,1]=4 2134 B5R0.3 C\C=C(/F)CBr Amb22546798 [0,0,1,0,0,0|2,0,1]=4 2135 B5R0.3 C\C=C(/F)CO Amb22546797 [0,0,1,0,0,0|1,1,1]=4 2136 B5R0.3 C\C=C(/I)CN Amb27392321 [0,0,1,0,0,0|2,0,1]=4 2137 B5R0.3 C\C=C(\Br)CBr Amb28053383 [0,0,1,0,0,0|2,0,1]=4 2138 B5R0.3 C\C=C(\Br)CN Amb27650590 [0,0,1,0,0,0|2,0,1]=4 2139 B5R0.3 C\C=C(\Br)CO Amb25809972 [0,0,1,0,0,0|1,1,1]=4 2140 B5R0.3 C\C=C(\C)CC Amb25332651 [0,0,1,0,0,0|2,0,1]=4 2141 B5R0.3 C\C=C(\C)CCl Amb27655615 [0,0,1,0,0,0|2,0,1]=4 2142 B5R0.3 C\C=C(\C)CO Amb26581579 [0,0,1,0,0,0|1,1,1]=4 2143 B5R0.3 C\C=C(\Cl)CCl Amb25727694 [0,0,1,0,0,0|2,0,1]=4 2144 B5R0.3 C\C=C(\F)CO Amb28384940 [0,0,1,0,0,0|1,1,1]=4 2145 B5R0.3 C\C=C(\I)CBr Amb27263914 [0,0,1,0,0,0|2,0,1]=4 2146 B5R0.3 N#CC(=O)CBr Amb26381908 [0,0,1,0,0,0|2,0,1]=4 2147 B5R0.3 N#CC(=O)CN Amb27811242 [0,0,1,0,0,0|2,0,1]=4 2148 B5R0.3 NC(CS)CS Amb24120335 [0,0,1,0,0,0|2,0,1]=4 2149 B5R0.3 NCC(=O)CCl Amb27225872 [0,0,1,0,0,0|2,0,0]=3 2150 B5R0.3 NCC(=O)CF Amb33377281 [0,0,1,0,0,0|2,0,0]=3 2151 B5R0.3 NCC(=O)CN Amb17593034 [0,0,1,0,0,0|2,0,0]=3 2152 B5R0.3 NCC(=O)CN Amb22227724 [0,0,1,0,0,0|2,0,0]=3 2153 B5R0.3 NCC(=O)NN Amb18559478 [0,0,1,0,0,0|3,0,0]=4 2154 B5R0.3 NCC(=O)NN Amb33804098 [0,0,1,0,0,0|3,0,0]=4 2155 B5R0.3 NCC(=O)NO Amb2433859 [0,0,1,0,0,0|2,1,0]=4 2156 B5R0.3 NCC(=O)OBr Amb27983785 [0,0,1,0,0,0|3,0,0]=4 2157 B5R0.3 NCC(=O)OCl Amb27628854 [0,0,1,0,0,0|3,0,0]=4 2158 B5R0.3 NCC(=O)ON Amb27473245 [0,0,1,0,0,0|3,0,0]=4 2159 B5R0.3 NCC(N)CS Amb27167387 [0,0,1,0,0,0|2,0,1]=4 2160 B5R0.3 NCC(O)CS Amb35672841 [0,0,1,0,0,0|1,0,2]=4 2161 B5R0.3 NCC(S)CS Amb24761410 [0,0,1,0,0,0|1,1,1]=4 2162 B5R0.3 NCC(S)CS Amb31031116 [0,0,1,0,0,0|1,1,1]=4 2163 B5R0.3 NNC(=O)CCl Amb10570260 [0,0,1,0,0,0|3,0,0]=4 2164 B5R0.3 NNC(=O)CCl Amb4037964 [0,0,1,0,0,0|3,0,0]=4 2165 B5R0.3 NNC(=O)CO Amb17615031 [0,0,1,0,0,0|2,1,0]=4 2166 B5R0.3 NNC(=O)CS Amb33537685 [0,0,1,0,0,0|2,0,0]=3 2167 B5R0.3 O=C(CBr)CBr Amb6296640 [0,0,1,0,0,0|2,0,0]=3 2168 B5R0.3 O=C(CBr)NBr Amb27432082 [0,0,1,0,0,0|3,0,0]=4 2169 B5R0.3 O=C(CBr)NCl Amb28284405 [0,0,1,0,0,0|3,0,0]=4 2170 B5R0.3 O=C(CBr)OBr Amb28454578 [0,0,1,0,0,0|3,0,0]=4 2171 B5R0.3 O=C(CCl)CCl Amb2725484 [0,0,1,0,0,0|2,0,0]=3 2172 B5R0.3 O=C(CCl)NO Amb25324352 [0,0,1,0,0,0|2,1,0]=4 2173 B5R0.3 O=C(CF)CCl Amb24531400 [0,0,1,0,0,0|2,0,0]=3 2174 B5R0.3 O=C(CF)CF Amb19895356 [0,0,1,0,0,0|2,0,0]=3 2175 B5R0.3 O=C(CI)CI Amb22227730 [0,0,1,0,0,0|2,0,0]=3 2176 B5R0.3 O=C(CI)NO Amb27635227 [0,0,1,0,0,0|2,1,0]=4 2177 B5R0.3 O=C(CO)CBr Amb25945111 [0,0,1,0,0,0|1,1,0]=3 2178 B5R0.3 O=C(CO)CCl Amb28322779 [0,0,1,0,0,0|1,1,0]=3 2179 B5R0.3 O=C(CO)CI Amb28121276 [0,0,1,0,0,0|1,1,0]=3 2180 B5R0.3 O=C(CO)CO Amb6600007 [0,0,1,0,0,0|1,1,0]=3 2181 B5R0.3 O=C(CO)NO Amb27596845 [0,0,1,0,0,0|2,1,0]=4 2182 B5R0.3 O=CC(=O)CO Amb17593031 [0,0,1,0,0,0|1,1,1]=4 2183 B5R0.3 OC(CF)CS Amb32679383 [0,0,1,0,0,0|1,0,2]=4 2184 B5R0.3 OC(CS)CCl Amb27965116 [0,0,1,0,0,0|1,0,2]=4 2185 B5R0.3 OCC(Cl)CS Amb17593329 [0,0,1,0,0,0|2,0,1]=4 2186 B5R0.3 OCC(O)CS Amb8395100 [0,0,1,0,0,0|1,0,2]=4 2187 B5R0.3 OCC(S)CS Amb8513135 [0,0,1,0,0,0|1,1,1]=4 2188 B5R0.3 OC[C@@H](O)CS Amb25943783 [0,0,1,0,0,0|1,0,2]=4 2189 B5R0.3 OC[C@@H](S)CS Amb26887679 [0,0,1,0,0,0|1,1,1]=4 2190 B5R0.3 OC[C@H](O)CS Amb26635114 [0,0,1,0,0,0|1,0,2]=4 2191 B5R0.3 OC[C@H](S)CS Amb26487293 [0,0,1,0,0,0|1,1,1]=4 2192 B5R0.3 SCC(S)CS Amb26017861 [0,0,1,0,0,0|1,1,1]=4 2193 B5R0.3 SC\C(Cl)=C\Cl Amb28139714 [0,0,1,0,0,0|2,0,1]=4 2194 B5R0.3 [CH2-]C(CC)CC Amb24117230 [0,0,1,0,0,0|2,0,1]=4 2195 B7R2.4 BrC12CCC1C2 Amb32676124 [0,0,0,1,0,0|2,0,1]=4 2196 B7R2.4 ClC12CCC1C2 Amb32676119 [0,0,0,1,0,0|2,0,1]=4 2197 B7R2.4 NC12CCC1C2 Amb32676128 [0,0,0,1,0,0|2,0,1]=4 2198 B7R2.9 NC1C2CCC12 Amb33744197 [0,0,0,1,0,0|2,0,1]=4 2199 B7R2.9 O[C@H]1[C@H]2CC[C@@H]12 Amb27242765 [0,0,0,1,0,0|1,0,2]=4 2200 B7R2.10 O[C@@H]1C[C@@H]2C[C@@H]21 Amb28131658 [0,0,0,1,0,0|1,0,2]=4 2201 B7R2.10 O[C@H]1C[C@H]2C[C@@H]12 Amb27443293 [0,0,0,1,0,0|1,0,2]=4 2202 B7R2.11 C1CC2CC1C2 Amb25338323 [0,0,0,1,0,0|2,0,1]=4 2203 B7R2.11 C1CC2CC1N2 Amb24117066 [0,0,0,1,0,0|2,0,1]=4 2204 B7R2.11 C1CN2CN1C2 Amb22727916 [0,0,0,1,0,0|3,0,0]=4 2205 B7R2.11 C1NC2CC1C2 Amb21964458 [0,0,0,1,0,0|2,0,1]=4 2206 B7R2.11 C1NC2CC1C2 Amb22493767 [0,0,0,1,0,0|2,0,1]=4 2207 B7R2.13 C1CC2CC2C1 Amb25723975 [0,0,0,1,0,0|2,0,1]=4 2208 B7R2.13 C1CC2CC2N1 Amb19375213 [0,0,0,1,0,0|2,0,1]=4 2209 B7R2.13 C1CC2CC2N1 Amb22755961 [0,0,0,1,0,0|2,0,1]=4 2210 B7R2.13 C1CC2NC2C1 Amb10609121 [0,0,0,1,0,0|2,0,1]=4 2211 B7R2.13 C1CC2OC2C1 Amb9703221 [0,0,0,1,0,0|1,0,2]=4 2212 B7R2.13 C1C[C@@H]2C[C@@H]2N1 Amb25273841 [0,0,0,1,0,0|2,0,1]=4 2213 B7R2.13 C1C[C@@H]2C[C@@H]2N1 Amb35825119 [0,0,0,1,0,0|2,0,1]=4 2214 B7R2.13 C1C[C@H]2C[C@H]2N1 Amb27202835 [0,0,0,1,0,0|2,0,1]=4 2215 B7R2.13 C1NCC2CC12 Amb10609254 [0,0,0,1,0,0|2,0,1]=4 2216 B7R2.13 C1NCC2CC12 Amb7808796 [0,0,0,1,0,0|2,0,1]=4 2217 B7R2.13 C1NCC2OC12 Amb27166667 [0,0,0,1,0,0|1,0,2]=4 2218 B7R2.13 C1OCC2NC12 Amb22500569 [0,0,0,1,0,0|1,1,1]=4 2219 B7R2.13 C1OCC2OC12 Amb2722535 [0,0,0,1,0,0|0,1,2]=4 2220 B7R2.13 C1OC[C@@H]2N[C@H]12 Amb32663628 [0,0,0,1,0,0|1,1,1]=4 2221 B7R2.13 C1OC[C@H]2O[C@@H]12 Amb27857246 [0,0,0,1,0,0|0,1,2]=4 2222 B5R1.2 BrC1CCC1 Amb3941489 [0,0,0,0,1,0|1,0,1]=3 2223 B5R1.2 BrC1CNC1 Amb22229230 [0,0,0,0,1,0|2,0,1]=4 2224 B5R1.2 BrC1CNC1 Amb22235472 [0,0,0,0,1,0|2,0,1]=4 2225 B5R1.2 BrC1CNC1 Amb22304219 [0,0,0,0,1,0|2,0,1]=4 2226 B5R1.2 BrC1COC1 Amb2383522 [0,0,0,0,1,0|1,1,1]=4 2227 B5R1.2 C=C1CCC1 Amb19374657 [0,0,0,0,1,0|1,0,0]=2 2228 B5R1.2 C=C1CCO1 Amb22736695 [0,0,0,0,1,0|1,1,0]=3 2229 B5R1.2 C=C1CNC1 Amb26026628 [0,0,0,0,1,0|2,0,0]=3 2230 B5R1.2 C=C1CNC1 Amb32666987 [0,0,0,0,1,0|2,0,0]=3 2231 B5R1.2 C=C1COC1 Amb27432949 [0,0,0,0,1,0|1,1,0]=3 2232 B5R1.2 CC1CCN1 Amb33544381 [0,0,0,0,1,0|2,0,1]=4 2233 B5R1.2 CC1CCN1 Amb7094895 [0,0,0,0,1,0|2,0,1]=4 2234 B5R1.2 CC1CCO1 Amb22284855 [0,0,0,0,1,0|1,1,1]=4 2235 B5R1.2 CC1CNC1 Amb19957931 [0,0,0,0,1,0|2,0,1]=4 2236 B5R1.2 CC1CNC1 Amb26579404 [0,0,0,0,1,0|2,0,1]=4 2237 B5R1.2 CC1COC1 Amb20621708 [0,0,0,0,1,0|1,1,1]=4 2238 B5R1.2 C[C@@H]1CCN1 Amb34148051 [0,0,0,0,1,0|2,0,1]=4 2239 B5R1.2 C[C@@H]1CCO1 Amb28292927 [0,0,0,0,1,0|1,1,1]=4 2240 B5R1.2 C[C@H]1CCN1 Amb33805340 [0,0,0,0,1,0|2,0,1]=4 2241 B5R1.2 C[C@H]1CCO1 Amb26503922 [0,0,0,0,1,0|1,1,1]=4 2242 B5R1.2 ClC1CCC1 Amb3941524 [0,0,0,0,1,0|1,0,1]=3 2243 B5R1.2 ClC1CNC1 Amb21960859 [0,0,0,0,1,0|2,0,1]=4 2244 B5R1.2 ClC1CNC1 Amb22232545 [0,0,0,0,1,0|2,0,1]=4 2245 B5R1.2 ClC1COC1 Amb22737242 [0,0,0,0,1,0|1,1,1]=4 2246 B5R1.2 FC1CNC1 Amb19148506 [0,0,0,0,1,0|2,0,1]=4 2247 B5R1.2 FC1CNC1 Amb8629955 [0,0,0,0,1,0|2,0,1]=4 2248 B5R1.2 FC1COC1 Amb21960819 [0,0,0,0,1,0|1,1,1]=4 2249 B5R1.2 IC1CCC1 Amb24476982 [0,0,0,0,1,0|1,0,1]=3 2250 B5R1.2 IC1CNC1 Amb22229328 [0,0,0,0,1,0|2,0,1]=4 2251 B5R1.2 IC1CNC1 Amb28247468 [0,0,0,0,1,0|2,0,1]=4 2252 B5R1.2 IC1COC1 Amb2383523 [0,0,0,0,1,0|1,1,1]=4 2253 B5R1.2 NC1CCC1 Amb3938963 [0,0,0,0,1,0|1,0,1]=3 2254 B5R1.2 NC1CCC1 Amb8631327 [0,0,0,0,1,0|1,0,1]=3 2255 B5R1.2 NC1CNC1 Amb2696234 [0,0,0,0,1,0|2,0,1]=4 2256 B5R1.2 NC1CNC1 Amb8630172 [0,0,0,0,1,0|2,0,1]=4 2257 B5R1.2 NC1COC1 Amb21928045 [0,0,0,0,1,0|1,1,1]=4 2258 B5R1.2 NC1COC1 Amb6259281 [0,0,0,0,1,0|1,1,1]=4 2259 B5R1.2 NC1CSC1 Amb17597694 [0,0,0,0,1,0|1,0,1]=3 2260 B5R1.2 NC1CSC1 Amb19373792 [0,0,0,0,1,0|1,0,1]=3 2261 B5R1.2 NC1CSC1 Amb22295804 [0,0,0,0,1,0|1,0,1]=3 2262 B5R1.2 NN1CCC1 Amb24392919 [0,0,0,0,1,0|2,0,0]=3 2263 B5R1.2 NN1CCC1 Amb32656115 [0,0,0,0,1,0|2,0,0]=3 2264 B5R1.2 O=C1BCN1 Amb27403064 [0,0,0,0,1,0|2,0,0]=3 2265 B5R1.2 O=C1C=CC1 Amb24477666 [0,0,0,0,1,0|0,0,2]=3 2266 B5R1.2 O=C1CCC1 Amb4605970 [0,0,0,0,1,0|0,0,0]=1 2267 B5R1.2 O=C1CCN1 Amb2779956 [0,0,0,0,1,0|1,0,0]=2 2268 B5R1.2 O=C1CCO1 Amb8514945 [0,0,0,0,1,0|0,1,0]=2 2269 B5R1.2 O=C1CCS1 Amb28430252 [0,0,0,0,1,0|0,0,0]=1 2270 B5R1.2 O=C1CNC1 Amb10975976 [0,0,0,0,1,0|1,0,0]=2 2271 B5R1.2 O=C1COC1 Amb10067645 [0,0,0,0,1,0|0,1,0]=2 2272 B5R1.2 O=C1CSC1 Amb19516222 [0,0,0,0,1,0|0,0,0]=1 2273 B5R1.2 O=C1O[Ba]O1 Amb22052524 [0,0,0,0,1,0|2,1,0]=4 2274 B5R1.2 O=C1O[Mg]O1 Amb22052493 [0,0,0,0,1,0|2,1,0]=4 2275 B5R1.2 O=C1O[PbH2]O1 Amb22052516 [0,0,0,0,1,0|2,1,0]=4 2276 B5R1.2 O=S1CCC1 Amb27653739 [0,0,0,0,1,0|1,0,0]=2 2277 B5R1.2 OC1CCC1 Amb4605821 [0,0,0,0,1,0|0,0,2]=3 2278 B5R1.2 OC1CCO1 Amb27424422 [0,0,0,0,1,0|0,1,2]=4 2279 B5R1.2 OC1CNC1 Amb22489446 [0,0,0,0,1,0|1,0,2]=4 2280 B5R1.2 OC1CNC1 Amb2688729 [0,0,0,0,1,0|1,0,2]=4 2281 B5R1.2 OC1CNC1 Amb2785246 [0,0,0,0,1,0|1,0,2]=4 2282 B5R1.2 OC1COC1 Amb10602318 [0,0,0,0,1,0|0,1,2]=4 2283 B5R1.2 OC1CSC1 Amb17593039 [0,0,0,0,1,0|0,0,2]=3 2284 B5R1.2 SC1CCC1 Amb25339328 [0,0,0,0,1,0|0,1,1]=3 2285 B5R1.2 SC1CNC1 Amb24477050 [0,0,0,0,1,0|1,1,1]=4 2286 B5R1.2 SC1CNC1 Amb33715987 [0,0,0,0,1,0|1,1,1]=4 2287 B5R1.2 SC1COC1 Amb22737528 [0,0,0,0,1,0|0,2,1]=4 2288 B5R1.2 SC1CSC1 Amb28142120 [0,0,0,0,1,0|0,1,1]=3 2289 B5R1.2 [Mg+]C1CCC1 Amb30591459 [0,0,0,0,1,0|1,0,1]=3 2290 B7R1.3 BrC1=CCCCC1 Amb21856761 [0,0,0,0,0,1|2,0,0]=3 2291 B7R1.3 BrC1=CCCCO1 Amb24322651 [0,0,0,0,0,1|2,0,1]=4 2292 B7R1.3 BrC1=CCCNC1 Amb27173423 [0,0,0,0,0,1|2,0,0]=3 2293 B7R1.3 BrC1=CCCNC1 Amb32651839 [0,0,0,0,0,1|2,0,0]=3 2294 B7R1.3 BrC1=CCNCC1 Amb24317585 [0,0,0,0,0,1|2,0,0]=3 2295 B7R1.3 BrC1=CCNCC1 Amb33189234 [0,0,0,0,0,1|2,0,0]=3 2296 B7R1.3 BrC1=CCOCC1 Amb21964919 [0,0,0,0,0,1|1,1,0]=3 2297 B7R1.3 BrC1=CCSCC1 Amb22229691 [0,0,0,0,0,1|1,0,0]=2 2298 B7R1.3 BrC1=COCCC1 Amb24322600 [0,0,0,0,0,1|1,1,1]=4 2299 B7R1.3 BrC1=COCCO1 Amb24322806 [0,0,0,0,0,1|1,1,1]=4 2300 B7R1.3 BrC1CC=CCC1 Amb22229671 [0,0,0,0,0,1|2,0,1]=4 2301 B7R1.3 BrC1CCCCC1 Amb3940351 [0,0,0,0,0,1|2,0,1]=4 2302 B7R1.3 BrC1CCCCN1 Amb8629038 [0,0,0,0,0,1|2,0,1]=4 2303 B7R1.3 BrC1CCCCO1 Amb24322575 [0,0,0,0,0,1|2,0,1]=4 2304 B7R1.3 BrC1CCCNC1 Amb22497824 [0,0,0,0,0,1|2,0,1]=4 2305 B7R1.3 BrC1CCCNC1 Amb8629039 [0,0,0,0,0,1|2,0,1]=4 2306 B7R1.3 BrC1CCCOC1 Amb9173669 [0,0,0,0,0,1|1,1,1]=4 2307 B7R1.3 BrC1CCCSC1 Amb26545490 [0,0,0,0,0,1|1,0,1]=3 2308 B7R1.3 BrC1CCNCC1 Amb22229718 [0,0,0,0,0,1|2,0,1]=4 2309 B7R1.3 BrC1CCNCC1 Amb2778981 [0,0,0,0,0,1|2,0,1]=4 2310 B7R1.3 BrC1CCNCC1 Amb3941704 [0,0,0,0,0,1|2,0,1]=4 2311 B7R1.3 BrC1CCOCC1 Amb9472764 [0,0,0,0,0,1|1,1,1]=4 2312 B7R1.3 BrC1CCSCC1 Amb18181050 [0,0,0,0,0,1|1,0,1]=3 2313 B7R1.3 BrC1COCCO1 Amb24322807 [0,0,0,0,0,1|1,1,1]=4 2314 B7R1.3 C=C1CCCCC1 Amb8515603 [0,0,0,0,0,1|2,0,0]=3 2315 B7R1.3 C=C1CCCCN1 Amb27801038 [0,0,0,0,0,1|2,0,0]=3 2316 B7R1.3 C=C1CCCCO1 Amb28345156 [0,0,0,0,0,1|2,0,0]=3 2317 B7R1.3 C=C1CCCNC1 Amb19514641 [0,0,0,0,0,1|2,0,0]=3 2318 B7R1.3 C=C1CCCNC1 Amb22059305 [0,0,0,0,0,1|2,0,0]=3 2319 B7R1.3 C=C1CCCOC1 Amb27594580 [0,0,0,0,0,1|1,1,0]=3 2320 B7R1.3 C=C1CCCSC1 Amb22494848 [0,0,0,0,0,1|1,0,0]=2 2321 B7R1.3 C=C1CCNCC1 Amb19514763 [0,0,0,0,0,1|2,0,0]=3 2322 B7R1.3 C=C1CCNCC1 Amb24079604 [0,0,0,0,0,1|2,0,0]=3 2323 B7R1.3 C=C1CCNCC1 Amb33715165 [0,0,0,0,0,1|2,0,0]=3 2324 B7R1.3 C=C1CCOCC1 Amb22000865 [0,0,0,0,0,1|1,1,0]=3 2325 B7R1.3 C=C1OCCCO1 Amb25734089 [0,0,0,0,0,1|3,0,0]=4 2326 B7R1.3 CC1=CCCCC1 Amb8513524 [0,0,0,0,0,1|2,0,0]=3 2327 B7R1.3 CC1=CCCCO1 Amb24480530 [0,0,0,0,0,1|2,0,1]=4 2328 B7R1.3 CC1=CCCNC1 Amb23439963 [0,0,0,0,0,1|2,0,0]=3 2329 B7R1.3 CC1=CCCNC1 Amb25063349 [0,0,0,0,0,1|2,0,0]=3 2330 B7R1.3 CC1=CCNCC1 Amb18639053 [0,0,0,0,0,1|2,0,0]=3 2331 B7R1.3 CC1=CCNCC1 Amb21961140 [0,0,0,0,0,1|2,0,0]=3 2332 B7R1.3 CC1=CCOCC1 Amb24070517 [0,0,0,0,0,1|1,1,0]=3 2333 B7R1.3 CC1=NCCCC1 Amb27459940 [0,0,0,0,0,1|2,0,0]=3 2334 B7R1.3 CC1=NCCCN1 Amb3650246 [0,0,0,0,0,1|3,0,0]=4 2335 B7R1.3 CC1=NCCCS1 Amb25808748 [0,0,0,0,0,1|3,0,0]=4 2336 B7R1.3 CC1=NCCNC1 Amb22755966 [0,0,0,0,0,1|2,0,0]=3 2337 B7R1.3 CC1CC=NCC1 Amb27453017 [0,0,0,0,0,1|2,0,1]=4 2338 B7R1.3 CC1CCCCN1 Amb2792828 [0,0,0,0,0,1|2,0,1]=4 2339 B7R1.3 CC1CCCCO1 Amb4035049 [0,0,0,0,0,1|2,0,1]=4 2340 B7R1.3 CC1CCCCS1 Amb17666899 [0,0,0,0,0,1|2,0,1]=4 2341 B7R1.3 CC1CCCNC1 Amb22491688 [0,0,0,0,0,1|2,0,1]=4 2342 B7R1.3 CC1CCCNC1 Amb9703089 [0,0,0,0,0,1|2,0,1]=4 2343 B7R1.3 CC1CCCOC1 Amb22347806 [0,0,0,0,0,1|1,1,1]=4 2344 B7R1.3 CC1CCNCC1 Amb2689655 [0,0,0,0,0,1|2,0,1]=4 2345 B7R1.3 CC1CCOCC1 Amb22043825 [0,0,0,0,0,1|1,1,1]=4 2346 B7R1.3 CC1CCOCN1 Amb32651825 [0,0,0,0,0,1|1,1,1]=4 2347 B7R1.3 CC1CCOCO1 Amb17776591 [0,0,0,0,0,1|1,1,1]=4 2348 B7R1.3 CC1CCSCC1 Amb27436849 [0,0,0,0,0,1|1,0,1]=3 2349 B7R1.3 CC1CNCCN1 Amb32666272 [0,0,0,0,0,1|2,0,1]=4 2350 B7R1.3 CC1CNCCN1 Amb9702774 [0,0,0,0,0,1|2,0,1]=4 2351 B7R1.3 CC1CNCCO1 Amb20621613 [0,0,0,0,0,1|2,0,1]=4 2352 B7R1.3 CC1CNCCO1 Amb32666325 [0,0,0,0,0,1|2,0,1]=4 2353 B7R1.3 CC1CNCCO1 Amb9703073 [0,0,0,0,0,1|2,0,1]=4 2354 B7R1.3 CC1CNCCS1 Amb32753223 [0,0,0,0,0,1|2,0,1]=4 2355 B7R1.3 CC1CNCCS1 Amb6683465 [0,0,0,0,0,1|2,0,1]=4 2356 B7R1.3 CC1COCCN1 Amb22728071 [0,0,0,0,0,1|1,1,1]=4 2357 B7R1.3 CC1COCCN1 Amb6740293 [0,0,0,0,0,1|1,1,1]=4 2358 B7R1.3 CC1CSCCN1 Amb9735876 [0,0,0,0,0,1|1,0,1]=3 2359 B7R1.3 CC1SCCSS1 Amb27488273 [0,0,0,0,0,1|2,0,1]=4 2360 B7R1.3 CN1CC=CCC1 Amb22734271 [0,0,0,0,0,1|3,0,0]=4 2361 B7R1.3 CN1CCCCC1 Amb8387007 [0,0,0,0,0,1|3,0,0]=4 2362 B7R1.3 CN1CCCNC1 Amb18121429 [0,0,0,0,0,1|3,0,0]=4 2363 B7R1.3 CN1CCNCC1 Amb2689644 [0,0,0,0,0,1|3,0,0]=4 2364 B7R1.3 CN1CCNCC1 Amb2720207 [0,0,0,0,0,1|3,0,0]=4 2365 B7R1.3 CN1CCOCC1 Amb5718750 [0,0,0,0,0,1|2,1,0]=4 2366 B7R1.3 CN1CSCSC1 Amb10552429 [0,0,0,0,0,1|2,0,0]=3 2367 B7R1.3 C[C@@H]1CCCCN1 Amb22746548 [0,0,0,0,0,1|2,0,1]=4 2368 B7R1.3 C[C@@H]1CCCCN1 Amb3939006 [0,0,0,0,0,1|2,0,1]=4 2369 B7R1.3 C[C@@H]1CCCNC1 Amb24461444 [0,0,0,0,0,1|2,0,1]=4 2370 B7R1.3 C[C@@H]1CCCNC1 Amb33801279 [0,0,0,0,0,1|2,0,1]=4 2371 B7R1.3 C[C@@H]1CNCCN1 Amb23399598 [0,0,0,0,0,1|2,0,1]=4 2372 B7R1.3 C[C@@H]1CNCCN1 Amb33716484 [0,0,0,0,0,1|2,0,1]=4 2373 B7R1.3 C[C@@H]1CNCCN1 Amb8396882 [0,0,0,0,0,1|2,0,1]=4 2374 B7R1.3 C[C@@H]1CNCCO1 Amb10603219 [0,0,0,0,0,1|2,0,1]=4 2375 B7R1.3 C[C@@H]1CNCCO1 Amb15690754 [0,0,0,0,0,1|2,0,1]=4 2376 B7R1.3 C[C@@H]1CNCCS1 Amb28423156 [0,0,0,0,0,1|2,0,1]=4 2377 B7R1.3 C[C@@H]1CNCCS1 Amb32671471 [0,0,0,0,0,1|2,0,1]=4 2378 B7R1.3 C[C@@H]1COCCN1 Amb10066948 [0,0,0,0,0,1|1,1,1]=4 2379 B7R1.3 C[C@@H]1COCCN1 Amb22169654 [0,0,0,0,0,1|1,1,1]=4 2380 B7R1.3 C[C@@H]1CSCCN1 Amb25241759 [0,0,0,0,0,1|1,0,1]=3 2381 B7R1.3 C[C@H]1CCCCN1 Amb8387006 [0,0,0,0,0,1|2,0,1]=4 2382 B7R1.3 C[C@H]1CCCNC1 Amb22745835 [0,0,0,0,0,1|2,0,1]=4 2383 B7R1.3 C[C@H]1CCCNC1 Amb8387001 [0,0,0,0,0,1|2,0,1]=4 2384 B7R1.3 C[C@H]1CNCCN1 Amb6306665 [0,0,0,0,0,1|2,0,1]=4 2385 B7R1.3 C[C@H]1CNCCO1 Amb10603261 [0,0,0,0,0,1|2,0,1]=4 2386 B7R1.3 C[C@H]1CNCCO1 Amb20241673 [0,0,0,0,0,1|2,0,1]=4 2387 B7R1.3 C[C@H]1CNCCO1 Amb32661569 [0,0,0,0,0,1|2,0,1]=4 2388 B7R1.3 C[C@H]1CNCCO1 Amb34916143 [0,0,0,0,0,1|2,0,1]=4 2389 B7R1.3 C[C@H]1COCCN1 Amb10066947 [0,0,0,0,0,1|1,1,1]=4 2390 B7R1.3 C[C@H]1COCCN1 Amb19516190 [0,0,0,0,0,1|1,1,1]=4 2391 B7R1.3 C[C@H]1CSCCN1 Amb25212371 [0,0,0,0,0,1|1,0,1]=3 2392 B7R1.3 C[SiH]1CCCCO1 Amb26582586 [0,0,0,0,0,1|2,1,0]=4 2393 B7R1.3 ClC1=CCCCC1 Amb9785147 [0,0,0,0,0,1|2,0,0]=3 2394 B7R1.3 ClC1=CCCCO1 Amb27449514 [0,0,0,0,0,1|2,0,1]=4 2395 B7R1.3 ClC1=CCCNC1 Amb32664385 [0,0,0,0,0,1|2,0,0]=3 2396 B7R1.3 ClC1=CCCNC1 Amb32664386 [0,0,0,0,0,1|2,0,0]=3 2397 B7R1.3 ClC1=COCCO1 Amb27826498 [0,0,0,0,0,1|1,1,1]=4 2398 B7R1.3 ClC1=NCCCN1 Amb27948666 [0,0,0,0,0,1|3,0,0]=4 2399 B7R1.3 ClC1CC=CCC1 Amb22229749 [0,0,0,0,0,1|2,0,1]=4 2400 B7R1.3 ClC1CCCCC1 Amb3940352 [0,0,0,0,0,1|2,0,1]=4 2401 B7R1.3 ClC1CCCCN1 Amb20242688 [0,0,0,0,0,1|2,0,1]=4 2402 B7R1.3 ClC1CCCCO1 Amb17673285 [0,0,0,0,0,1|2,0,1]=4 2403 B7R1.3 ClC1CCCCS1 Amb28123985 [0,0,0,0,0,1|2,0,1]=4 2404 B7R1.3 ClC1CCCOC1 Amb20622589 [0,0,0,0,0,1|1,1,1]=4 2405 B7R1.3 ClC1CCNCC1 Amb8009567 [0,0,0,0,0,1|2,0,1]=4 2406 B7R1.3 ClC1CCNCC1 Amb8629021 [0,0,0,0,0,1|2,0,1]=4 2407 B7R1.3 ClC1CCOCC1 Amb6760778 [0,0,0,0,0,1|1,1,1]=4 2408 B7R1.3 ClC1CSCCS1 Amb27659242 [0,0,0,0,0,1|1,0,1]=3 2409 B7R1.3 ClC1CSCSC1 Amb28385897 [0,0,0,0,0,1|1,0,1]=3 2410 B7R1.3 ClC1SCSCS1 Amb28385984 [0,0,0,0,0,1|2,0,1]=4 2411 B7R1.3 ClN1CCCCC1 Amb25950915 [0,0,0,0,0,1|3,0,0]=4 2412 B7R1.3 ClN1CCOCC1 Amb20670597 [0,0,0,0,0,1|2,1,0]=4 2413 B7R1.3 FC1=CCCNC1 Amb27181097 [0,0,0,0,0,1|2,0,0]=3 2414 B7R1.3 FC1=CCCNC1 Amb28314663 [0,0,0,0,0,1|2,0,0]=3 2415 B7R1.3 FC1=CCNCC1 Amb27600797 [0,0,0,0,0,1|2,0,0]=3 2416 B7R1.3 FC1=CCNCC1 Amb33484309 [0,0,0,0,0,1|2,0,0]=3 2417 B7R1.3 FC1=COCCC1 Amb24322810 [0,0,0,0,0,1|1,1,1]=4 2418 B7R1.3 FC1CCCCC1 Amb2688084 [0,0,0,0,0,1|2,0,1]=4 2419 B7R1.3 FC1CCCCO1 Amb24322826 [0,0,0,0,0,1|2,0,1]=4 2420 B7R1.3 FC1CCCNC1 Amb13953137 [0,0,0,0,0,1|2,0,1]=4 2421 B7R1.3 FC1CCCNC1 Amb2688404 [0,0,0,0,0,1|2,0,1]=4 2422 B7R1.3 FC1CCCOC1 Amb24322825 [0,0,0,0,0,1|1,1,1]=4 2423 B7R1.3 FC1CCC[NH2+]C1 Amb22042691 [0,0,0,0,0,1|2,0,1]=4 2424 B7R1.3 FC1CCNCC1 Amb13885425 [0,0,0,0,0,1|2,0,1]=4 2425 B7R1.3 FC1CCNCC1 Amb2688405 [0,0,0,0,0,1|2,0,1]=4 2426 B7R1.3 FC1CCOCC1 Amb22296909 [0,0,0,0,0,1|1,1,1]=4 2427 B7R1.3 FC1CNCCO1 Amb27641873 [0,0,0,0,0,1|2,0,1]=4 2428 B7R1.3 FC1COCCO1 Amb24322827 [0,0,0,0,0,1|1,1,1]=4 2429 B7R1.3 F[C@@H]1CCCNC1 Amb20242276 [0,0,0,0,0,1|2,0,1]=4 2430 B7R1.3 F[C@@H]1CCCNC1 Amb27619341 [0,0,0,0,0,1|2,0,1]=4 2431 B7R1.3 F[C@H]1CCCNC1 Amb20242275 [0,0,0,0,0,1|2,0,1]=4 2432 B7R1.3 IC1=CCCCC1 Amb27750996 [0,0,0,0,0,1|2,0,0]=3 2433 B7R1.3 IC1=CCOCC1 Amb25364046 [0,0,0,0,0,1|1,1,0]=3 2434 B7R1.3 IC1=COCCC1 Amb24322812 [0,0,0,0,0,1|1,1,1]=4 2435 B7R1.3 IC1=COCCO1 Amb24322818 [0,0,0,0,0,1|1,1,1]=4 2436 B7R1.3 IC1CC=CCC1 Amb27446684 [0,0,0,0,0,1|2,0,1]=4 2437 B7R1.3 IC1CCCCC1 Amb6608670 [0,0,0,0,0,1|2,0,1]=4 2438 B7R1.3 IC1CCCNC1 Amb22496356 [0,0,0,0,0,1|2,0,1]=4 2439 B7R1.3 IC1CCCOC1 Amb22831295 [0,0,0,0,0,1|1,1,1]=4 2440 B7R1.3 IC1CCOCC1 Amb2723453 [0,0,0,0,0,1|1,1,1]=4 2441 B7R1.3 IC1CCSCC1 Amb2724105 [0,0,0,0,0,1|1,0,1]=3 2442 B7R1.3 IN1CCOCC1 Amb24106962 [0,0,0,0,0,1|2,1,0]=4 2443 B7R1.3 N=C1CCCCC1 Amb26924126 [0,0,0,0,0,1|2,0,0]=3 2444 B7R1.3 N=C1CCCCN1 Amb17616049 [0,0,0,0,0,1|2,0,0]=3 2445 B7R1.3 N=C1CCCCN1 Amb2780013 [0,0,0,0,0,1|2,0,0]=3 2446 B7R1.3 N=C1COCCN1 Amb24654396 [0,0,0,0,0,1|1,1,0]=3 2447 B7R1.3 N=C1COCCN1 Amb28468104 [0,0,0,0,0,1|1,1,0]=3 2448 B7R1.3 N=C1CSCCN1 Amb32679434 [0,0,0,0,0,1|1,0,0]=2 2449 B7R1.3 N=C1NCCCN1 Amb22642014 [0,0,0,0,0,1|3,0,0]=4 2450 B7R1.3 N=C1NCCCO1 Amb23597225 [0,0,0,0,0,1|3,0,0]=4 2451 B7R1.3 N=C1NCCCO1 Amb28990985 [0,0,0,0,0,1|3,0,0]=4 2452 B7R1.3 N=C1NCCCS1 Amb22524353 [0,0,0,0,0,1|3,0,0]=4 2453 B7R1.3 NC1=CCCCC1 Amb28456773 [0,0,0,0,0,1|2,0,0]=3 2454 B7R1.3 NC1=NCCCC1 Amb3997189 [0,0,0,0,0,1|2,0,0]=3 2455 B7R1.3 NC1=NCCCN1 Amb17608307 [0,0,0,0,0,1|3,0,0]=4 2456 B7R1.3 NC1=NCCCS1 Amb6817862 [0,0,0,0,0,1|3,0,0]=4 2457 B7R1.3 NC1=NCCCS1 Amb8468160 [0,0,0,0,0,1|3,0,0]=4 2458 B7R1.3 NC1=NCCOC1 Amb33743898 [0,0,0,0,0,1|1,1,0]=3 2459 B7R1.3 NC1=NCCSC1 Amb844759 [0,0,0,0,0,1|1,0,0]=2 2460 B7R1.3 NC1CC=CCC1 Amb18639038 [0,0,0,0,0,1|2,0,1]=4 2461 B7R1.3 NC1CC=CCC1 Amb19515491 [0,0,0,0,0,1|2,0,1]=4 2462 B7R1.3 NC1CCCCC1 Amb2792843 [0,0,0,0,0,1|2,0,1]=4 2463 B7R1.3 NC1CCCCC1 Amb4035820 [0,0,0,0,0,1|2,0,1]=4 2464 B7R1.3 NC1CCCCC1 Amb6366094 [0,0,0,0,0,1|2,0,1]=4 2465 B7R1.3 NC1CCCCN1 Amb16233706 [0,0,0,0,0,1|2,0,1]=4 2466 B7R1.3 NC1CCCCS1 Amb28052869 [0,0,0,0,0,1|2,0,1]=4 2467 B7R1.3 NC1CCCNC1 Amb2694718 [0,0,0,0,0,1|2,0,1]=4 2468 B7R1.3 NC1CCCNC1 Amb2720311 [0,0,0,0,0,1|2,0,1]=4 2469 B7R1.3 NC1CCCNC1 Amb8385620 [0,0,0,0,0,1|2,0,1]=4 2470 B7R1.3 NC1CCCOC1 Amb1091859 [0,0,0,0,0,1|1,1,1]=4 2471 B7R1.3 NC1CCCOC1 Amb19889218 [0,0,0,0,0,1|1,1,1]=4 2472 B7R1.3 NC1CCCSC1 Amb13953228 [0,0,0,0,0,1|1,0,1]=3 2473 B7R1.3 NC1CCCSC1 Amb32660970 [0,0,0,0,0,1|1,0,1]=3 2474 B7R1.3 NC1CCNCC1 Amb17943826 [0,0,0,0,0,1|2,0,1]=4 2475 B7R1.3 NC1CCNCC1 Amb6270512 [0,0,0,0,0,1|2,0,1]=4 2476 B7R1.3 NC1CCOCC1 Amb1102242 [0,0,0,0,0,1|1,1,1]=4 2477 B7R1.3 NC1CCOCC1 Amb8503255 [0,0,0,0,0,1|1,1,1]=4 2478 B7R1.3 NC1CCSCC1 Amb13952147 [0,0,0,0,0,1|1,0,1]=3 2479 B7R1.3 NC1CCSCC1 Amb2724106 [0,0,0,0,0,1|1,0,1]=3 2480 B7R1.3 NC1CNCCN1 Amb22228552 [0,0,0,0,0,1|2,0,1]=4 2481 B7R1.3 NC1CNCCS1 Amb28365414 [0,0,0,0,0,1|2,0,1]=4 2482 B7R1.3 NC1COCOC1 Amb28384919 [0,0,0,0,0,1|1,1,1]=4 2483 B7R1.3 NC1COCOC1 Amb32667993 [0,0,0,0,0,1|1,1,1]=4 2484 B7R1.3 NC1CSCSC1 Amb19148038 [0,0,0,0,0,1|1,0,1]=3 2485 B7R1.3 NN1CCCCC1 Amb535734 [0,0,0,0,0,1|3,0,0]=4 2486 B7R1.3 NN1CCCCC1 Amb6892706 [0,0,0,0,0,1|3,0,0]=4 2487 B7R1.3 NN1CCNCC1 Amb10071260 [0,0,0,0,0,1|3,0,0]=4 2488 B7R1.3 NN1CCNCC1 Amb31308598 [0,0,0,0,0,1|3,0,0]=4 2489 B7R1.3 NN1CCOCC1 Amb836802 [0,0,0,0,0,1|2,1,0]=4 2490 B7R1.3 NN1CCSCC1 Amb18641480 [0,0,0,0,0,1|2,0,0]=3 2491 B7R1.3 N[C@@H]1CC=CCC1 Amb27975676 [0,0,0,0,0,1|2,0,1]=4 2492 B7R1.3 N[C@@H]1CCCNC1 Amb16233705 [0,0,0,0,0,1|2,0,1]=4 2493 B7R1.3 N[C@@H]1CCCNC1 Amb2695443 [0,0,0,0,0,1|2,0,1]=4 2494 B7R1.3 N[C@@H]1CCCOC1 Amb19516292 [0,0,0,0,0,1|1,1,1]=4 2495 B7R1.3 N[C@@H]1CCCOC1 Amb20241267 [0,0,0,0,0,1|1,1,1]=4 2496 B7R1.3 N[C@H]1CC=CCC1 Amb26609127 [0,0,0,0,0,1|2,0,1]=4 2497 B7R1.3 N[C@H]1CCCCO1 Amb27655590 [0,0,0,0,0,1|2,0,1]=4 2498 B7R1.3 N[C@H]1CCCNC1 Amb17134809 [0,0,0,0,0,1|2,0,1]=4 2499 B7R1.3 N[C@H]1CCCNC1 Amb2695444 [0,0,0,0,0,1|2,0,1]=4 2500 B7R1.3 N[C@H]1CCCOC1 Amb19516313 [0,0,0,0,0,1|1,1,1]=4 2501 B7R1.3 N[C@H]1CCCOC1 Amb20241266 [0,0,0,0,0,1|1,1,1]=4 2502 B7R1.3 N[C@H]1CCCOC1 Amb34916114 [0,0,0,0,0,1|1,1,1]=4 2503 B7R1.3 O=C1C=CCC=N1 Amb24076140 [0,0,0,0,0,1|1,0,2]=4 2504 B7R1.3 O=C1C=CCCC1 Amb17843126 [0,0,0,0,0,1|1,0,1]=3 2505 B7R1.3 O=C1C=CCCN1 Amb22001783 [0,0,0,0,0,1|1,0,1]=3 2506 B7R1.3 O=C1C=CCCO1 Amb15693457 [0,0,0,0,0,1|1,0,1]=3 2507 B7R1.3 O=C1C=CCOC1 Amb22234519 [0,0,0,0,0,1|0,1,1]=3 2508 B7R1.3 O=C1C=CCSC1 Amb26544956 [0,0,0,0,0,1|0,0,1]=2 2509 B7R1.3 O=C1C=CNCC1 Amb2700614 [0,0,0,0,0,1|1,0,1]=3 2510 B7R1.3 O=C1C=COCC1 Amb22000873 [0,0,0,0,0,1|0,1,1]=3 2511 B7R1.3 O=C1C=CSC=C1 Amb22364507 [0,0,0,0,0,1|0,0,3]=4 2512 B7R1.3 O=C1C=CSCC1 Amb25375022 [0,0,0,0,0,1|0,0,1]=2 2513 B7R1.3 O=C1C=NC=NC1 Amb24093715 [0,0,0,0,0,1|1,0,2]=4 2514 B7R1.3 O=C1C=NCCN1 Amb28341190 [0,0,0,0,0,1|1,0,1]=3 2515 B7R1.3 O=C1CC=NC=N1 Amb10601894 [0,0,0,0,0,1|1,0,2]=4 2516 B7R1.3 O=C1CCC=CN1 Amb26365285 [0,0,0,0,0,1|1,0,1]=3 2517 B7R1.3 O=C1CCCCC1 Amb2793026 [0,0,0,0,0,1|1,0,0]=2 2518 B7R1.3 O=C1CCCCN1 Amb6892006 [0,0,0,0,0,1|1,0,0]=2 2519 B7R1.3 O=C1CCCCO1 Amb8513592 [0,0,0,0,0,1|1,0,0]=2 2520 B7R1.3 O=C1CCCCS1 Amb25186924 [0,0,0,0,0,1|1,0,0]=2 2521 B7R1.3 O=C1CCCNC1 Amb10070944 [0,0,0,0,0,1|1,0,0]=2 2522 B7R1.3 O=C1CCCNC1 Amb10602349 [0,0,0,0,0,1|1,0,0]=2 2523 B7R1.3 O=C1CCCNC1 Amb19958010 [0,0,0,0,0,1|1,0,0]=2 2524 B7R1.3 O=C1CCCNN1 Amb18061622 [0,0,0,0,0,1|2,0,0]=3 2525 B7R1.3 O=C1CCCOC1 Amb19373430 [0,0,0,0,0,1|0,1,0]=2 2526 B7R1.3 O=C1CCCON1 Amb26560803 [0,0,0,0,0,1|1,1,0]=3 2527 B7R1.3 O=C1CCCSC1 Amb13952257 [0,0,0,0,0,1|0,0,0]=1 2528 B7R1.3 O=C1CCN=CN1 Amb27447786 [0,0,0,0,0,1|1,0,1]=3 2529 B7R1.3 O=C1CCNCC1 Amb2690392 [0,0,0,0,0,1|1,0,0]=2 2530 B7R1.3 O=C1CCNCC1 Amb2793002 [0,0,0,0,0,1|1,0,0]=2 2531 B7R1.3 O=C1CCNCC1 Amb8394939 [0,0,0,0,0,1|1,0,0]=2 2532 B7R1.3 O=C1CCNCN1 Amb27458283 [0,0,0,0,0,1|1,0,0]=2 2533 B7R1.3 O=C1CCOCC1 Amb2725565 [0,0,0,0,0,1|0,1,0]=2 2534 B7R1.3 O=C1CCSCC1 Amb1154265 [0,0,0,0,0,1|0,0,0]=1 2535 B7R1.3 O=C1CNC=NN1 Amb27817820 [0,0,0,0,0,1|2,0,1]=4 2536 B7R1.3 O=C1CNCCN1 Amb4138465 [0,0,0,0,0,1|1,0,0]=2 2537 B7R1.3 O=C1CNCCN1 Amb6334808 [0,0,0,0,0,1|1,0,0]=2 2538 B7R1.3 O=C1CNCCO1 Amb19958702 [0,0,0,0,0,1|1,0,0]=2 2539 B7R1.3 O=C1CNCCO1 Amb32410210 [0,0,0,0,0,1|1,0,0]=2 2540 B7R1.3 O=C1COCCN1 Amb15691115 [0,0,0,0,0,1|0,1,0]=2 2541 B7R1.3 O=C1COCCO1 Amb17933352 [0,0,0,0,0,1|0,1,0]=2 2542 B7R1.3 O=C1CSC=CN1 Amb2386683 [0,0,0,0,0,1|0,0,2]=3 2543 B7R1.3 O=C1CSCCN1 Amb674722 [0,0,0,0,0,1|0,0,0]=1 2544 B7R1.3 O=C1CSCCO1 Amb28069740 [0,0,0,0,0,1|0,0,0]=1 2545 B7R1.3 O=C1CSCCS1 Amb24539369 [0,0,0,0,0,1|0,0,0]=1 2546 B7R1.3 O=C1CSCSC1 Amb19148039 [0,0,0,0,0,1|0,0,0]=1 2547 B7R1.3 O=C1N=CCCN1 Amb24480889 [0,0,0,0,0,1|2,0,0]=3 2548 B7R1.3 O=C1NCCCN1 Amb4034594 [0,0,0,0,0,1|2,0,0]=3 2549 B7R1.3 O=C1NCCCO1 Amb10608499 [0,0,0,0,0,1|2,0,0]=3 2550 B7R1.3 O=C1NCCCS1 Amb24117134 [0,0,0,0,0,1|2,0,0]=3 2551 B7R1.3 O=C1NCCNN1 Amb28341733 [0,0,0,0,0,1|2,0,0]=3 2552 B7R1.3 O=C1NCNCN1 Amb25146452 [0,0,0,0,0,1|2,0,0]=3 2553 B7R1.3 O=C1NNCCO1 Amb32683554 [0,0,0,0,0,1|2,0,0]=3 2554 B7R1.3 O=C1OCCCO1 Amb4034896 [0,0,0,0,0,1|2,0,0]=3 2555 B7R1.3 O=S1CCCNC1 Amb27195521 [0,0,0,0,0,1|2,0,0]=3 2556 B7R1.3 O=S1CCNCC1 Amb18943760 [0,0,0,0,0,1|2,0,0]=3 2557 B7R1.3 O=S1CCNCC1 Amb6307179 [0,0,0,0,0,1|2,0,0]=3 2558 B7R1.3 O=S1CCOCC1 Amb26535052 [0,0,0,0,0,1|1,1,0]=3 2559 B7R1.3 O=S1CCSCC1 Amb25679286 [0,0,0,0,0,1|1,0,0]=2 2560 B7R1.3 O=S1OCCCO1 Amb20240777 [0,0,0,0,0,1|3,0,0]=4 2561 B7R1.3 OC1=CN=NCC1 Amb22756935 [0,0,0,0,0,1|1,0,2]=4 2562 B7R1.3 OC1=NCCNC1 Amb22330543 [0,0,0,0,0,1|1,0,1]=3 2563 B7R1.3 OC1C=CCSC1 Amb25832664 [0,0,0,0,0,1|0,0,3]=4 2564 B7R1.3 OC1CCCCC1 Amb4605832 [0,0,0,0,0,1|1,0,2]=4 2565 B7R1.3 OC1CCCCN1 Amb8393085 [0,0,0,0,0,1|1,0,2]=4 2566 B7R1.3 OC1CCCCO1 Amb8517292 [0,0,0,0,0,1|1,0,2]=4 2567 B7R1.3 OC1CCCNC1 Amb3939221 [0,0,0,0,0,1|1,0,2]=4 2568 B7R1.3 OC1CCCNC1 Amb4036802 [0,0,0,0,0,1|1,0,2]=4 2569 B7R1.3 OC1CCCOC1 Amb16192108 [0,0,0,0,0,1|0,1,2]=4 2570 B7R1.3 OC1CCCSC1 Amb4034626 [0,0,0,0,0,1|0,0,2]=3 2571 B7R1.3 OC1CCNCC1 Amb1152974 [0,0,0,0,0,1|1,0,2]=4 2572 B7R1.3 OC1CCNCC1 Amb2720309 [0,0,0,0,0,1|1,0,2]=4 2573 B7R1.3 OC1CCNCC1 Amb32679563 [0,0,0,0,0,1|1,0,2]=4 2574 B7R1.3 OC1CCNOC1 Amb32698233 [0,0,0,0,0,1|0,1,2]=4 2575 B7R1.3 OC1CCOCC1 Amb2723454 [0,0,0,0,0,1|0,1,2]=4 2576 B7R1.3 OC1CCONC1 Amb33017243 [0,0,0,0,0,1|0,1,2]=4 2577 B7R1.3 OC1CCSCC1 Amb2610612 [0,0,0,0,0,1|0,0,2]=3 2578 B7R1.3 OC1CNCCO1 Amb13883759 [0,0,0,0,0,1|1,0,2]=4 2579 B7R1.3 OC1CNCCO1 Amb22011707 [0,0,0,0,0,1|1,0,2]=4 2580 B7R1.3 OC1CNCNC1 Amb27854350 [0,0,0,0,0,1|1,0,2]=4 2581 B7R1.3 OC1COCOC1 Amb4020024 [0,0,0,0,0,1|0,1,2]=4 2582 B7R1.3 OC1COCOC1 Amb6357756 [0,0,0,0,0,1|0,1,2]=4 2583 B7R1.3 ON1CCCCC1 Amb6468702 [0,0,0,0,0,1|2,0,1]=4 2584 B7R1.3 ON1CCOCC1 Amb25243510 [0,0,0,0,0,1|1,1,1]=4 2585 B7R1.3 O[C@@H]1CCCNC1 Amb20241315 [0,0,0,0,0,1|1,0,2]=4 2586 B7R1.3 O[C@@H]1CCCNC1 Amb8628462 [0,0,0,0,0,1|1,0,2]=4 2587 B7R1.3 O[C@@H]1CCCOC1 Amb17942798 [0,0,0,0,0,1|0,1,2]=4 2588 B7R1.3 O[C@H]1CCCNC1 Amb10844804 [0,0,0,0,0,1|1,0,2]=4 2589 B7R1.3 O[C@H]1CCCNC1 Amb2688784 [0,0,0,0,0,1|1,0,2]=4 2590 B7R1.3 O[C@H]1CCCOC1 Amb20241306 [0,0,0,0,0,1|0,1,2]=4 2591 B7R1.3 S=C1CCCCN1 Amb5720520 [0,0,0,0,0,1|1,1,0]=3 2592 B7R1.3 S=C1CCNCC1 Amb27232690 [0,0,0,0,0,1|1,1,0]=3 2593 B7R1.3 S=C1CCNCN1 Amb27205983 [0,0,0,0,0,1|1,1,0]=3 2594 B7R1.3 S=C1NCCCN1 Amb2690553 [0,0,0,0,0,1|2,1,0]=4 2595 B7R1.3 S=C1NCCCO1 Amb22524560 [0,0,0,0,0,1|2,1,0]=4 2596 B7R1.3 S=C1NCCCS1 Amb4012551 [0,0,0,0,0,1|2,1,0]=4 2597 B7R1.3 S=C1NCNCN1 Amb1289820 [0,0,0,0,0,1|2,1,0]=4 2598 B7R1.3 S=C1NCSCN1 Amb27838255 [0,0,0,0,0,1|1,1,0]=3 2599 B7R1.3 S=C1SCCCS1 Amb5717576 [0,0,0,0,0,1|2,1,0]=4 2600 B7R1.3 SC1=COCCC1 Amb33319911 [0,0,0,0,0,1|0,2,1]=4 2601 B7R1.3 SC1=NCCCN1 Amb2537133 [0,0,0,0,0,1|2,1,0]=4 2602 B7R1.3 SC1=NCCCS1 Amb4017252 [0,0,0,0,0,1|2,1,0]=4 2603 B7R1.3 SC1CC=CCC1 Amb33318612 [0,0,0,0,0,1|1,1,1]=4 2604 B7R1.3 SC1CCCCC1 Amb6608750 [0,0,0,0,0,1|1,1,1]=4 2605 B7R1.3 SC1CCCCN1 Amb27639704 [0,0,0,0,0,1|1,1,1]=4 2606 B7R1.3 SC1CCCNC1 Amb22371077 [0,0,0,0,0,1|1,1,1]=4 2607 B7R1.3 SC1CCCNC1 Amb27453630 [0,0,0,0,0,1|1,1,1]=4 2608 B7R1.3 SC1CCCOC1 Amb24066221 [0,0,0,0,0,1|0,2,1]=4 2609 B7R1.3 SC1CCCSC1 Amb27480711 [0,0,0,0,0,1|0,1,1]=3 2610 B7R1.3 SC1CCNCC1 Amb17502200 [0,0,0,0,0,1|1,1,1]=4 2611 B7R1.3 SC1CCNCC1 Amb22371055 [0,0,0,0,0,1|1,1,1]=4 2612 B7R1.3 SC1CCOCC1 Amb9472951 [0,0,0,0,0,1|0,2,1]=4 2613 B7R1.3 SC1CCSCC1 Amb26045860 [0,0,0,0,0,1|0,1,1]=3 2614 B7R1.3 [Mg+]C1CCCCC1 Amb22043956 [0,0,0,0,0,1|2,0,1]=4 2615 B7R1.3 [NH3+]C1CCOCC1 Amb22008598 [0,0,0,0,0,1|1,1,1]=4 2616 B4R0.1 C#CC(C)=O Amb2685717 [1,0,1,0,0,0|0,0,2]=4 2617 B4R0.1 C=C(C)CBr Amb33531183 [1,0,1,0,0,0|2,0,0]=4 2618 B4R0.1 C=C(C)CCl Amb2792918 [1,0,1,0,0,0|2,0,0]=4 2619 B4R0.1 C=C(C)CF Amb26019368 [1,0,1,0,0,0|2,0,0]=4 2620 B4R0.1 C=C(C)CI Amb26588956 [1,0,1,0,0,0|2,0,0]=4 2621 B4R0.1 C=C(C)CN Amb17749039 [1,0,1,0,0,0|2,0,0]=4 2622 B4R0.1 C=C(C)CO Amb8513444 [1,0,1,0,0,0|1,1,0]=4 2623 B4R0.1 C=C(C)CS Amb19888160 [1,0,1,0,0,0|1,0,0]=3 2624 B4R0.1 C=C(C)OC Amb6296633 [1,0,1,0,0,0|1,1,0]=4 2625 B4R0.1 C=C(Cl)CC Amb22228725 [1,0,1,0,0,0|1,0,1]=4 2626 B4R0.1 C=C(Cl)CS Amb25810749 [1,0,1,0,0,0|1,0,1]=4 2627 B4R0.1 C=CC(C)=O Amb6608725 [1,0,1,0,0,0|0,0,2]=4 2628 B4R0.1 CC(=O)C#N Amb17231798 [1,0,1,0,0,0|1,0,1]=4 2629 B4R0.1 CC(=O)C=O Amb3940421 [1,0,1,0,0,0|0,1,1]=4 2630 B4R0.1 CC(=O)C=S Amb28118569 [1,0,1,0,0,0|0,0,2]=4 2631 B4R0.1 CC(=O)CBr Amb6673867 [1,0,1,0,0,0|1,0,0]=3 2632 B4R0.1 CC(=O)CCl Amb2792923 [1,0,1,0,0,0|1,0,0]=3 2633 B4R0.1 CC(=O)CI Amb22831972 [1,0,1,0,0,0|1,0,0]=3 2634 B4R0.1 CC(=O)CN Amb10603379 [1,0,1,0,0,0|1,0,0]=3 2635 B4R0.1 CC(=O)CN Amb22489444 [1,0,1,0,0,0|1,0,0]=3 2636 B4R0.1 CC(=O)CN Amb8393368 [1,0,1,0,0,0|1,0,0]=3 2637 B4R0.1 CC(=O)CO Amb2404925 [1,0,1,0,0,0|0,1,0]=3 2638 B4R0.1 CC(=O)CS Amb19148935 [1,0,1,0,0,0|0,0,0]=2 2639 B4R0.1 CC(=O)NBr Amb17672559 [1,0,1,0,0,0|2,0,0]=4 2640 B4R0.1 CC(=O)NCl Amb17939326 [1,0,1,0,0,0|2,0,0]=4 2641 B4R0.1 CC(=O)NI Amb28247845 [1,0,1,0,0,0|2,0,0]=4 2642 B4R0.1 CC(=O)NN Amb1153969 [1,0,1,0,0,0|2,0,0]=4 2643 B4R0.1 CC(=O)NO Amb2781575 [1,0,1,0,0,0|1,1,0]=4 2644 B4R0.1 CC(=O)OCl Amb28074273 [1,0,1,0,0,0|1,1,0]=4 2645 B4R0.1 CC(=O)OO Amb8517283 [1,0,1,0,0,0|1,1,0]=4 2646 B4R0.1 CC(=S)CI Amb28131646 [1,0,1,0,0,0|1,1,0]=4 2647 B4R0.1 CC(C)CS Amb6608775 [1,0,1,0,0,0|1,0,1]=4 2648 B4R0.1 CC(N)CS Amb24476863 [1,0,1,0,0,0|1,0,1]=4 2649 B4R0.1 CC(N)CS Amb29083222 [1,0,1,0,0,0|1,0,1]=4 2650 B4R0.1 CC(O)CS Amb22348002 [1,0,1,0,0,0|0,0,2]=4 2651 B4R0.1 CC(S)CS Amb4034635 [1,0,1,0,0,0|0,1,1]=4 2652 B4R0.1 CC=C(C)C Amb8513245 [1,0,1,0,0,0|1,0,1]=4 2653 B4R0.1 CCB(C)C Amb27253082 [1,0,1,0,0,0|2,0,0]=4 2654 B4R0.1 CCC(=N)N Amb2695032 [1,0,1,0,0,0|2,0,0]=4 2655 B4R0.1 CCC(=N)N Amb6316131 [1,0,1,0,0,0|2,0,0]=4 2656 B4R0.1 CCC(=O)Br Amb8517649 [1,0,1,0,0,0|1,0,0]=3 2657 B4R0.1 CCC(=O)Cl Amb2792924 [1,0,1,0,0,0|1,0,0]=3 2658 B4R0.1 CCC(=O)F Amb10839798 [1,0,1,0,0,0|1,0,0]=3 2659 B4R0.1 CCC(=O)O Amb3938995 [1,0,1,0,0,0|0,1,0]=3 2660 B4R0.1 CCC(=O)S Amb26953905 [1,0,1,0,0,0|0,0,0]=2 2661 B4R0.1 CCC(=O)[O-] Amb22731204 [1,0,1,0,0,0|0,1,0]=3 2662 B4R0.1 CCC(=O)[O-] Amb8513417 [1,0,1,0,0,0|0,1,0]=3 2663 B4R0.1 CCC(C)=O Amb4606002 [1,0,1,0,0,0|0,0,0]=2 2664 B4R0.1 CCC(C)Br Amb3940199 [1,0,1,0,0,0|1,0,1]=4 2665 B4R0.1 CCC(C)Cl Amb6608698 [1,0,1,0,0,0|1,0,1]=4 2666 B4R0.1 CCC(C)F Amb22008012 [1,0,1,0,0,0|1,0,1]=4 2667 B4R0.1 CCC(C)I Amb3940278 [1,0,1,0,0,0|1,0,1]=4 2668 B4R0.1 CCC(C)N Amb3939365 [1,0,1,0,0,0|1,0,1]=4 2669 B4R0.1 CCC(C)O Amb9748253 [1,0,1,0,0,0|0,0,2]=4 2670 B4R0.1 CCC(C)S Amb6608745 [1,0,1,0,0,0|0,1,1]=4 2671 B4R0.1 CCC(C)[NH3+] Amb34915660 [1,0,1,0,0,0|1,0,1]=4 2672 B4R0.1 CCC(C)[Zn+] Amb22228696 [1,0,1,0,0,0|1,0,1]=4 2673 B4R0.1 CCC(N)=O Amb3886522 [1,0,1,0,0,0|1,0,0]=3 2674 B4R0.1 CCC(N)=S Amb1114671 [1,0,1,0,0,0|1,0,1]=4 2675 B4R0.1 CCC(S)Br Amb27407042 [1,0,1,0,0,0|1,0,1]=4 2676 B4R0.1 CCN(C)C Amb8514592 [1,0,1,0,0,0|2,0,0]=4 2677 B4R0.1 CCN(C)N Amb19664241 [1,0,1,0,0,0|2,0,0]=4 2678 B4R0.1 CCN(C)N Amb29844658 [1,0,1,0,0,0|2,0,0]=4 2679 B4R0.1 CCN(C)N Amb32653079 [1,0,1,0,0,0|2,0,0]=4 2680 B4R0.1 CCN(C)O Amb25746619 [1,0,1,0,0,0|1,0,1]=4 2681 B4R0.1 CCS(=O)Cl Amb24647938 [1,0,1,0,0,0|2,0,0]=4 2682 B4R0.1 CCS(=O)O Amb24332177 [1,0,1,0,0,0|1,1,0]=4 2683 B4R0.1 CCS(=O)[O-] Amb17943109 [1,0,1,0,0,0|1,1,0]=4 2684 B4R0.1 CCS(=O)[O-] Amb22411287 [1,0,1,0,0,0|1,1,0]=4 2685 B4R0.1 CCS(C)=O Amb25301908 [1,0,1,0,0,0|1,0,0]=3 2686 B4R0.1 CCS(N)=O Amb24734600 [1,0,1,0,0,0|2,0,0]=4 2687 B4R0.1 CC[C@@H](C)N Amb3939366 [1,0,1,0,0,0|1,0,1]=4 2688 B4R0.1 CC[C@@H](C)O Amb8514550 [1,0,1,0,0,0|0,0,2]=4 2689 B4R0.1 CC[C@@H](C)S Amb28197564 [1,0,1,0,0,0|0,1,1]=4 2690 B4R0.1 CC[C@H](C)Br Amb27657814 [1,0,1,0,0,0|1,0,1]=4 2691 B4R0.1 CC[C@H](C)N Amb19889468 [1,0,1,0,0,0|1,0,1]=4 2692 B4R0.1 CC[C@H](C)N Amb3939823 [1,0,1,0,0,0|1,0,1]=4 2693 B4R0.1 CC[C@H](C)O Amb4606006 [1,0,1,0,0,0|0,0,2]=4 2694 B4R0.1 CC[N+](=O)[O-] Amb6608854 [1,0,1,0,0,0|1,1,0]=4 2695 B4R0.1 CC[PH](=O)O Amb8391284 [1,0,1,0,0,0|1,1,0]=4 2696 B4R0.1 CC[SiH](C)Cl Amb27624485 [1,0,1,0,0,0|1,1,0]=4 2697 B4R0.1 CNC(=O)Cl Amb17942998 [1,0,1,0,0,0|2,0,0]=4 2698 B4R0.1 CNC(=O)F Amb27778388 [1,0,1,0,0,0|2,0,0]=4 2699 B4R0.1 CNC(=S)S Amb25764313 [1,0,1,0,0,0|1,1,0]=4 2700 B4R0.1 CNC(C)=N Amb27407381 [1,0,1,0,0,0|2,0,0]=4 2701 B4R0.1 CNC(C)=N Amb28555318 [1,0,1,0,0,0|2,0,0]=4 2702 B4R0.1 CNC(C)=O Amb3886523 [1,0,1,0,0,0|1,0,0]=3 2703 B4R0.1 CNC(C)=S Amb23590663 [1,0,1,0,0,0|1,1,0]=4 2704 B4R0.1 CNC(N)=O Amb1152075 [1,0,1,0,0,0|2,0,0]=4 2705 B4R0.1 COC(=O)Cl Amb3940230 [1,0,1,0,0,0|1,1,0]=4 2706 B4R0.1 COC(=O)[O-] Amb25688001 [1,0,1,0,0,0|1,1,0]=4 2707 B4R0.1 COC(=S)S Amb22011691 [1,0,1,0,0,0|1,1,0]=4 2708 B4R0.1 COC(C)=N Amb10844798 [1,0,1,0,0,0|1,1,0]=4 2709 B4R0.1 COC(C)=N Amb6366201 [1,0,1,0,0,0|1,1,0]=4 2710 B4R0.1 COC(C)=O Amb6608821 [1,0,1,0,0,0|0,1,0]=3 2711 B4R0.1 COC(N)=O Amb6608701 [1,0,1,0,0,0|1,1,0]=4 2712 B4R0.1 CS(=O)CBr Amb24476829 [1,0,1,0,0,0|2,0,0]=4 2713 B4R0.1 CS(=O)CCl Amb28457220 [1,0,1,0,0,0|2,0,0]=4 2714 B4R0.1 CSC(=N)N Amb1935217 [1,0,1,0,0,0|2,0,0]=4 2715 B4R0.1 CSC(=N)N Amb5721980 [1,0,1,0,0,0|2,0,0]=4 2716 B4R0.1 CSC(=N)N Amb6342883 [1,0,1,0,0,0|2,0,0]=4 2717 B4R0.1 CSC(=N)N Amb8387514 [1,0,1,0,0,0|2,0,0]=4 2718 B4R0.1 CSC(=O)Cl Amb22336225 [1,0,1,0,0,0|1,0,0]=3 2719 B4R0.1 CSC(C)=N Amb28344632 [1,0,1,0,0,0|1,0,0]=3 2720 B4R0.1 CSC(C)=S Amb25992258 [1,0,1,0,0,0|0,1,0]=3 2721 B4R0.1 CSC(C)C Amb22730048 [1,0,1,0,0,0|1,0,1]=4 2722 B4R0.1 CSC(C)Cl Amb25025032 [1,0,1,0,0,0|1,0,1]=4 2723 B4R0.1 CSC(N)=O Amb25082577 [1,0,1,0,0,0|1,0,0]=3 2724 B4R0.1 CSC(N)=S Amb28345102 [1,0,1,0,0,0|1,1,0]=4 2725 B4R0.1 CSS(C)=O Amb25786159 [1,0,1,0,0,0|1,0,0]=3 2726 B4R0.1 CS[S+](C)C Amb10841336 [1,0,1,0,0,0|2,0,0]=4 2727 B4R0.1 C[C@@H](N)CS Amb25745019 [1,0,1,0,0,0|1,0,1]=4 2728 B4R0.1 C[C@@H](N)CS Amb33456897 [1,0,1,0,0,0|1,0,1]=4 2729 B4R0.1 C[C@@H](O)CS Amb25662551 [1,0,1,0,0,0|0,0,2]=4 2730 B4R0.1 C[C@H](N)CS Amb24332667 [1,0,1,0,0,0|1,0,1]=4 2731 B4R0.1 C[C@H](N)CS Amb33328790 [1,0,1,0,0,0|1,0,1]=4 2732 B4R0.1 C[C@H](O)CS Amb24554233 [1,0,1,0,0,0|0,0,2]=4 2733 B4R0.1 C\C=C(/C)Cl Amb25025045 [1,0,1,0,0,0|1,0,1]=4 2734 B4R0.1 C\C=C(\C)Br Amb20001493 [1,0,1,0,0,0|1,0,1]=4 2735 B4R0.1 C\C=C(\C)Cl Amb22731715 [1,0,1,0,0,0|1,0,1]=4 2736 B4R0.1 C\C=C(\C)N Amb26529209 [1,0,1,0,0,0|1,0,1]=4 2737 B4R0.1 N=C(N)CS Amb25297483 [1,0,1,0,0,0|2,0,0]=4 2738 B4R0.1 N=C(N)CS Amb33078992 [1,0,1,0,0,0|2,0,0]=4 2739 B4R0.1 NC(=O)CBr Amb4477263 [1,0,1,0,0,0|2,0,0]=4 2740 B4R0.1 NC(=O)CCl Amb1933827 [1,0,1,0,0,0|2,0,0]=4 2741 B4R0.1 NC(=O)CF Amb6891955 [1,0,1,0,0,0|2,0,0]=4 2742 B4R0.1 NC(=O)CI Amb2688829 [1,0,1,0,0,0|2,0,0]=4 2743 B4R0.1 NC(=O)CO Amb1804460 [1,0,1,0,0,0|1,1,0]=4 2744 B4R0.1 NC(=O)CS Amb2724286 [1,0,1,0,0,0|1,0,0]=3 2745 B4R0.1 NC(=O)C[SiH3] Amb27807227 [1,0,1,0,0,0|1,1,0]=4 2746 B4R0.1 NCC(=O)Br Amb27810916 [1,0,1,0,0,0|2,0,0]=4 2747 B4R0.1 NCC(=O)Cl Amb6740270 [1,0,1,0,0,0|2,0,0]=4 2748 B4R0.1 NCC(=O)O Amb2609025 [1,0,1,0,0,0|1,1,0]=4 2749 B4R0.1 NCC(=O)O Amb33869972 [1,0,1,0,0,0|1,1,0]=4 2750 B4R0.1 NCC(=O)O Amb8516646 [1,0,1,0,0,0|1,1,0]=4 2751 B4R0.1 NCC(=O)S Amb17593043 [1,0,1,0,0,0|1,0,0]=3 2752 B4R0.1 NCC(=O)[O-] Amb21962917 [1,0,1,0,0,0|1,1,0]=4 2753 B4R0.1 NCC(=O)[O-] Amb22493796 [1,0,1,0,0,0|1,1,0]=4 2754 B4R0.1 NCC(=O)[O-] Amb440282 [1,0,1,0,0,0|1,1,0]=4 2755 B4R0.1 NCC(=O)[O-] Amb5722007 [1,0,1,0,0,0|1,1,0]=4 2756 B4R0.1 NCC(N)=O Amb10604177 [1,0,1,0,0,0|2,0,0]=4 2757 B4R0.1 NCC(N)=O Amb22234569 [1,0,1,0,0,0|2,0,0]=4 2758 B4R0.1 NCC(N)=O Amb6609053 [1,0,1,0,0,0|2,0,0]=4 2759 B4R0.1 O=C(Br)CBr Amb2793022 [1,0,1,0,0,0|2,0,0]=4 2760 B4R0.1 O=C(Br)CCl Amb27168386 [1,0,1,0,0,0|2,0,0]=4 2761 B4R0.1 O=C(Cl)CBr Amb6608953 [1,0,1,0,0,0|2,0,0]=4 2762 B4R0.1 O=C(Cl)CCl Amb2793043 [1,0,1,0,0,0|2,0,0]=4 2763 B4R0.1 O=C(Cl)CF Amb16185604 [1,0,1,0,0,0|2,0,0]=4 2764 B4R0.1 O=C(Cl)CI Amb22045163 [1,0,1,0,0,0|2,0,0]=4 2765 B4R0.1 O=C(Cl)SCl Amb2685799 [1,0,1,0,0,0|2,0,0]=4 2766 B4R0.1 O=C(F)CCl Amb10839258 [1,0,1,0,0,0|2,0,0]=4 2767 B4R0.1 O=C(I)CCl Amb27639296 [1,0,1,0,0,0|2,0,0]=4 2768 B4R0.1 O=C(O)CBr Amb6608658 [1,0,1,0,0,0|1,1,0]=4 2769 B4R0.1 O=C(O)CCl Amb2792919 [1,0,1,0,0,0|1,1,0]=4 2770 B4R0.1 O=C(O)CF Amb6740304 [1,0,1,0,0,0|1,1,0]=4 2771 B4R0.1 O=C(O)CI Amb1916034 [1,0,1,0,0,0|1,1,0]=4 2772 B4R0.1 O=C(O)CO Amb2793019 [1,0,1,0,0,0|1,1,0]=4 2773 B4R0.1 O=C(O)CS Amb6608659 [1,0,1,0,0,0|1,0,0]=3 2774 B4R0.1 O=C(O)C[Na] Amb28255644 [1,0,1,0,0,0|1,1,0]=4 2775 B4R0.1 O=C([O-])CO Amb22730982 [1,0,1,0,0,0|1,1,0]=4 2776 B4R0.1 O=C([O-])CO Amb8516148 [1,0,1,0,0,0|1,1,0]=4 2777 B4R0.1 O=C([O-])CS Amb8395172 [1,0,1,0,0,0|1,0,0]=3 2778 B4R0.1 OCC(=S)S Amb25746765 [1,0,1,0,0,0|1,1,0]=4 2779 B4R0.1 [Li]C(C)CC Amb8513857 [1,0,1,0,0,0|1,0,1]=4 2780 B4R0.2 C#CCCC Amb3940495 [1,0,1,0,0,0|1,0,1]=4 2781 B4R0.2 C#CCSC Amb17939736 [1,0,1,0,0,0|0,0,2]=4 2782 B4R0.2 C#NCCC Amb31132336 [1,0,1,0,0,0|2,0,0]=4 2783 B4R0.2 C=C=CCC Amb10565985 [1,0,1,0,0,0|1,0,1]=4 2784 B4R0.2 C=CCC=O Amb25058716 [1,0,1,0,0,0|0,0,2]=4 2785 B4R0.2 C=CCCBr Amb2684977 [1,0,1,0,0,0|1,0,1]=4 2786 B4R0.2 C=CCCC Amb8514606 [1,0,1,0,0,0|1,0,0]=3 2787 B4R0.2 C=CCCCl Amb22229725 [1,0,1,0,0,0|1,0,1]=4 2788 B4R0.2 C=CCCF Amb27869562 [1,0,1,0,0,0|1,0,1]=4 2789 B4R0.2 C=CCCI Amb33546459 [1,0,1,0,0,0|1,0,1]=4 2790 B4R0.2 C=CCCN Amb10601640 [1,0,1,0,0,0|1,0,1]=4 2791 B4R0.2 C=CCCN Amb33484127 [1,0,1,0,0,0|1,0,1]=4 2792 B4R0.2 C=CCCN Amb5717434 [1,0,1,0,0,0|1,0,1]=4 2793 B4R0.2 C=CCCO Amb6609024 [1,0,1,0,0,0|0,1,1]=4 2794 B4R0.2 C=CCC[NH3+] Amb5718705 [1,0,1,0,0,0|1,0,1]=4 2795 B4R0.2 C=CCNC Amb3940004 [1,0,1,0,0,0|1,0,1]=4 2796 B4R0.2 C=CCSC Amb3940478 [1,0,1,0,0,0|0,0,1]=3 2797 B4R0.2 C=CNCC Amb24120592 [1,0,1,0,0,0|1,0,1]=4 2798 B4R0.2 C=COCC Amb2447619 [1,0,1,0,0,0|0,1,1]=4 2799 B4R0.2 C=CSCC Amb10604172 [1,0,1,0,0,0|0,0,1]=3 2800 B4R0.2 CC#CC=O Amb24477088 [1,0,1,0,0,0|0,0,2]=4 2801 B4R0.2 CC=C=CC Amb17670597 [1,0,1,0,0,0|1,0,1]=4 2802 B4R0.2 CCCC#N Amb6662840 [1,0,1,0,0,0|1,0,1]=4 2803 B4R0.2 CCCC=O Amb3940026 [1,0,1,0,0,0|0,0,0]=2 2804 B4R0.2 CCCCBr Amb2795761 [1,0,1,0,0,0|1,0,1]=4 2805 B4R0.2 CCCCCl Amb3940273 [1,0,1,0,0,0|1,0,1]=4 2806 B4R0.2 CCCCF Amb2688075 [1,0,1,0,0,0|1,0,1]=4 2807 B4R0.2 CCCCI Amb4606011 [1,0,1,0,0,0|1,0,1]=4 2808 B4R0.2 CCCCN Amb22002333 [1,0,1,0,0,0|1,0,1]=4 2809 B4R0.2 CCCCN Amb3939832 [1,0,1,0,0,0|1,0,1]=4 2810 B4R0.2 CCCCO Amb2793053 [1,0,1,0,0,0|0,0,2]=4 2811 B4R0.2 CCCCS Amb8513452 [1,0,1,0,0,0|0,0,1]=3 2812 B4R0.2 CCCC[SiH3] Amb19883792 [1,0,1,0,0,0|1,0,1]=4 2813 B4R0.2 CCCNC Amb1125050 [1,0,1,0,0,0|1,0,1]=4 2814 B4R0.2 CCCNC Amb13951517 [1,0,1,0,0,0|1,0,1]=4 2815 B4R0.2 CCCNN Amb22490873 [1,0,1,0,0,0|2,0,0]=4 2816 B4R0.2 CCCNN Amb6246347 [1,0,1,0,0,0|2,0,0]=4 2817 B4R0.2 CCCNN Amb9147579 [1,0,1,0,0,0|2,0,0]=4 2818 B4R0.2 CCCOC Amb22227974 [1,0,1,0,0,0|0,1,1]=4 2819 B4R0.2 CCCON Amb21929105 [1,0,1,0,0,0|2,0,0]=4 2820 B4R0.2 CCCON Amb4061686 [1,0,1,0,0,0|2,0,0]=4 2821 B4R0.2 CCCSC Amb22045208 [1,0,1,0,0,0|0,0,1]=3 2822 B4R0.2 CCISC Amb27753276 [1,0,1,0,0,0|1,0,1]=4 2823 B4R0.2 CCN=C=O Amb3939325 [1,0,1,0,0,0|1,0,1]=4 2824 B4R0.2 CCNC=O Amb22229692 [1,0,1,0,0,0|1,0,0]=3 2825 B4R0.2 CCNC=S Amb24476965 [1,0,1,0,0,0|1,1,0]=4 2826 B4R0.2 CCNCC Amb21520464 [1,0,1,0,0,0|1,0,1]=4 2827 B4R0.2 CCNCC Amb22047271 [1,0,1,0,0,0|1,0,1]=4 2828 B4R0.2 CCNCC Amb2793074 [1,0,1,0,0,0|1,0,1]=4 2829 B4R0.2 CCNCC Amb8513512 [1,0,1,0,0,0|1,0,1]=4 2830 B4R0.2 CCNCO Amb28048578 [1,0,1,0,0,0|1,0,1]=4 2831 B4R0.2 CCOC=O Amb3429671 [1,0,1,0,0,0|0,1,0]=3 2832 B4R0.2 CCOCBr Amb26033270 [1,0,1,0,0,0|1,1,0]=4 2833 B4R0.2 CCOCC Amb10807375 [1,0,1,0,0,0|0,1,1]=4 2834 B4R0.2 CCOCC Amb8513220 [1,0,1,0,0,0|0,1,1]=4 2835 B4R0.2 CCOCCl Amb8516247 [1,0,1,0,0,0|1,1,0]=4 2836 B4R0.2 CCOCO Amb25042105 [1,0,1,0,0,0|0,1,1]=4 2837 B4R0.2 CCPCC Amb19889866 [1,0,1,0,0,0|1,0,1]=4 2838 B4R0.2 CCSCC Amb8386438 [1,0,1,0,0,0|0,0,1]=3 2839 B4R0.2 CCSCCl Amb27599798 [1,0,1,0,0,0|1,0,0]=3 2840 B4R0.2 CCSSC Amb22230676 [1,0,1,0,0,0|1,0,1]=4 2841 B4R0.2 CC[AlH3+]CC Amb22053728 [1,0,1,0,0,0|1,0,1]=4 2842 B4R0.2 CC[Ga]CC Amb33513021 [1,0,1,0,0,0|1,0,1]=4 2843 B4R0.2 CC[OH+]CC Amb27461536 [1,0,1,0,0,0|0,1,1]=4 2844 B4R0.2 CC[SiH2]CC Amb19893778 [1,0,1,0,0,0|1,0,1]=4 2845 B4R0.2 CC[Zn]CC Amb8514301 [1,0,1,0,0,0|1,0,1]=4 2846 B4R0.2 CC\C=C/I Amb27985379 [1,0,1,0,0,0|1,0,1]=4 2847 B4R0.2 CC\C=C\Cl Amb25024567 [1,0,1,0,0,0|1,0,1]=4 2848 B4R0.2 CC\C=C\I Amb28346900 [1,0,1,0,0,0|1,0,1]=4 2849 B4R0.2 CC\C=N\O Amb24369620 [1,0,1,0,0,0|1,1,0]=4 2850 B4R0.2 CNCC=O Amb28133605 [1,0,1,0,0,0|1,0,0]=3 2851 B4R0.2 CNCCBr Amb20224134 [1,0,1,0,0,0|2,0,0]=4 2852 B4R0.2 CNCCBr Amb22753915 [1,0,1,0,0,0|2,0,0]=4 2853 B4R0.2 CNCCCl Amb19338156 [1,0,1,0,0,0|2,0,0]=4 2854 B4R0.2 CNCCCl Amb2196487 [1,0,1,0,0,0|2,0,0]=4 2855 B4R0.2 CNCCF Amb25292993 [1,0,1,0,0,0|2,0,0]=4 2856 B4R0.2 CNCCF Amb32661249 [1,0,1,0,0,0|2,0,0]=4 2857 B4R0.2 CNCCI Amb2099455 [1,0,1,0,0,0|2,0,0]=4 2858 B4R0.2 CNCCI Amb6374325 [1,0,1,0,0,0|2,0,0]=4 2859 B4R0.2 CNCCN Amb19958520 [1,0,1,0,0,0|2,0,0]=4 2860 B4R0.2 CNCCN Amb8513507 [1,0,1,0,0,0|2,0,0]=4 2861 B4R0.2 CNCCO Amb2793086 [1,0,1,0,0,0|1,0,1]=4 2862 B4R0.2 CNCCP Amb27786982 [1,0,1,0,0,0|2,0,0]=4 2863 B4R0.2 CNCCS Amb18641549 [1,0,1,0,0,0|1,0,0]=3 2864 B4R0.2 CNCCS Amb32651884 [1,0,1,0,0,0|1,0,0]=3 2865 B4R0.2 COCC=O Amb3941034 [1,0,1,0,0,0|0,1,0]=3 2866 B4R0.2 COCCBr Amb2685166 [1,0,1,0,0,0|1,1,0]=4 2867 B4R0.2 COCCCl Amb3940260 [1,0,1,0,0,0|1,1,0]=4 2868 B4R0.2 COCCI Amb22228848 [1,0,1,0,0,0|1,1,0]=4 2869 B4R0.2 COCCN Amb3939058 [1,0,1,0,0,0|1,1,0]=4 2870 B4R0.2 COCCO Amb4605828 [1,0,1,0,0,0|0,1,1]=4 2871 B4R0.2 COCCS Amb6255784 [1,0,1,0,0,0|1,0,0]=3 2872 B4R0.2 COCOC Amb6608858 [1,0,1,0,0,0|1,1,0]=4 2873 B4R0.2 CPCCO Amb27594723 [1,0,1,0,0,0|1,0,1]=4 2874 B4R0.2 CSCC#N Amb8513692 [1,0,1,0,0,0|1,0,1]=4 2875 B4R0.2 CSCC=O Amb27250514 [1,0,1,0,0,0|0,0,0]=2 2876 B4R0.2 CSCCBr Amb18176565 [1,0,1,0,0,0|1,0,0]=3 2877 B4R0.2 CSCCCl Amb2685909 [1,0,1,0,0,0|1,0,0]=3 2878 B4R0.2 CSCCI Amb24477438 [1,0,1,0,0,0|1,0,0]=3 2879 B4R0.2 CSCCN Amb2724163 [1,0,1,0,0,0|1,0,0]=3 2880 B4R0.2 CSCCN Amb6754152 [1,0,1,0,0,0|1,0,0]=3 2881 B4R0.2 CSCCO Amb3568993 [1,0,1,0,0,0|0,0,1]=3 2882 B4R0.2 CS\C=C\Br Amb27614429 [1,0,1,0,0,0|1,0,1]=4 2883 B4R0.2 CS\C=C\Cl Amb27244119 [1,0,1,0,0,0|1,0,1]=4 2884 B4R0.2 C\C=C/CC Amb8517400 [1,0,1,0,0,0|1,0,1]=4 2885 B4R0.2 C\C=C/CCl Amb28367227 [1,0,1,0,0,0|1,0,1]=4 2886 B4R0.2 C\C=C\C=O Amb6891937 [1,0,1,0,0,0|0,0,2]=4 2887 B4R0.2 C\C=C\CBr Amb3940083 [1,0,1,0,0,0|1,0,1]=4 2888 B4R0.2 C\C=C\CC Amb9134767 [1,0,1,0,0,0|1,0,1]=4 2889 B4R0.2 C\C=C\CCl Amb3940264 [1,0,1,0,0,0|1,0,1]=4 2890 B4R0.2 C\C=C\CI Amb26567317 [1,0,1,0,0,0|1,0,1]=4 2891 B4R0.2 C\C=C\CN Amb22490422 [1,0,1,0,0,0|1,0,1]=4 2892 B4R0.2 C\C=C\CN Amb32693433 [1,0,1,0,0,0|1,0,1]=4 2893 B4R0.2 C\C=C\CO Amb9277796 [1,0,1,0,0,0|0,1,1]=4 2894 B4R0.2 C\C=C\OC Amb25747348 [1,0,1,0,0,0|0,1,1]=4 2895 B4R0.2 C\C=C\SC Amb27782691 [1,0,1,0,0,0|0,0,1]=3 2896 B4R0.2 C\C=N\OC Amb24115747 [1,0,1,0,0,0|1,1,0]=4 2897 B4R0.2 C\N=C\C=O Amb27849988 [1,0,1,0,0,0|1,0,1]=4 2898 B4R0.2 ClCCSCl Amb27169228 [1,0,1,0,0,0|2,0,0]=4 2899 B4R0.2 ClCSCCl Amb19893235 [1,0,1,0,0,0|2,0,0]=4 2900 B4R0.2 FCCCS Amb28344639 [1,0,1,0,0,0|1,0,1]=4 2901 B4R0.2 N#CCC=O Amb9669129 [1,0,1,0,0,0|1,0,1]=4 2902 B4R0.2 N#CCCS Amb17502414 [1,0,1,0,0,0|1,0,1]=4 2903 B4R0.2 NCCC=S Amb28366830 [1,0,1,0,0,0|1,1,0]=4 2904 B4R0.2 NCCCS Amb17500723 [1,0,1,0,0,0|1,0,1]=4 2905 B4R0.2 NCCCS Amb18368606 [1,0,1,0,0,0|1,0,1]=4 2906 B4R0.2 NCCCS Amb20623313 [1,0,1,0,0,0|1,0,1]=4 2907 B4R0.2 O=CCC=O Amb33512721 [1,0,1,0,0,0|0,1,1]=4 2908 B4R0.2 O=CCCCl Amb16233605 [1,0,1,0,0,0|1,0,0]=3 2909 B4R0.2 O=CCCF Amb21858609 [1,0,1,0,0,0|1,0,0]=3 2910 B4R0.2 O=CCCI Amb26847605 [1,0,1,0,0,0|1,0,0]=3 2911 B4R0.2 O=CCCO Amb24412391 [1,0,1,0,0,0|0,1,0]=3 2912 B4R0.2 O=CCCS Amb27755008 [1,0,1,0,0,0|0,0,0]=2 2913 B4R0.2 O=CNCO Amb27754843 [1,0,1,0,0,0|1,1,0]=4 2914 B4R0.2 O=CNCS Amb27846487 [1,0,1,0,0,0|1,0,0]=3 2915 B4R0.2 OCCCS Amb8517566 [1,0,1,0,0,0|0,0,2]=4 2916 B4R0.2 OCSCO Amb27812260 [1,0,1,0,0,0|1,0,1]=4 2917 B4R0.2 SCCCBr Amb22270209 [1,0,1,0,0,0|1,0,1]=4 2918 B4R0.2 SCCCS Amb7809241 [1,0,1,0,0,0|0,1,1]=4 2919 B4R0.2 [C-]#[N+]CCC Amb24117082 [1,0,1,0,0,0|2,0,0]=4 2920 B6R0.1 C#CC(=O)CCC Amb25696103 [0,1,1,0,0,0|1,0,1]=4 2921 B6R0.1 C#CC(=O)COC Amb27794422 [0,1,1,0,0,0|0,1,1]=4 2922 B6R0.1 C#CC(=O)CSC Amb27667610 [0,1,1,0,0,0|0,0,1]=3 2923 B6R0.1 C#CC(C)CSC Amb33271732 [0,1,1,0,0,0|1,0,1]=4 2924 B6R0.1 C#CCC(=O)CN Amb27970357 [0,1,1,0,0,0|1,0,1]=4 2925 B6R0.1 C#CCC(=O)OC Amb5722531 [0,1,1,0,0,0|1,0,1]=4 2926 B6R0.1 C=C(C=O)CCF Amb28253937 [0,1,1,0,0,0|1,0,1]=4 2927 B6R0.1 C=C(C=O)COC Amb28066424 [0,1,1,0,0,0|0,1,1]=4 2928 B6R0.1 C=C(CBr)CCC Amb26493276 [0,1,1,0,0,0|2,0,0]=4 2929 B6R0.1 C=C(CBr)CCF Amb33334196 [0,1,1,0,0,0|2,0,0]=4 2930 B6R0.1 C=C(CBr)COC Amb33451446 [0,1,1,0,0,0|1,1,0]=4 2931 B6R0.1 C=C(CBr)CSC Amb33007144 [0,1,1,0,0,0|1,0,0]=3 2932 B6R0.1 C=C(CC)CCC Amb22228810 [0,1,1,0,0,0|2,0,0]=4 2933 B6R0.1 C=C(CC)CCI Amb27838208 [0,1,1,0,0,0|2,0,0]=4 2934 B6R0.1 C=C(CC)CCN Amb27974991 [0,1,1,0,0,0|2,0,0]=4 2935 B6R0.1 C=C(CC)CCO Amb25261191 [0,1,1,0,0,0|1,1,0]=4 2936 B6R0.1 C=C(CC)CNC Amb27639465 [0,1,1,0,0,0|2,0,0]=4 2937 B6R0.1 C=C(CCC)OC Amb27433625 [0,1,1,0,0,0|2,0,0]=4 2938 B6R0.1 C=C(CCl)CCC Amb25871331 [0,1,1,0,0,0|2,0,0]=4 2939 B6R0.1 C=C(CCl)CCF Amb33413546 [0,1,1,0,0,0|2,0,0]=4 2940 B6R0.1 C=C(CCl)COC Amb25924077 [0,1,1,0,0,0|1,1,0]=4 2941 B6R0.1 C=C(CCl)CSC Amb27242862 [0,1,1,0,0,0|1,0,0]=3 2942 B6R0.1 C=C(CF)CCN Amb33379259 [0,1,1,0,0,0|2,0,0]=4 2943 B6R0.1 C=C(CN)CCC Amb33204217 [0,1,1,0,0,0|2,0,0]=4 2944 B6R0.1 C=C(CN)CCF Amb33480629 [0,1,1,0,0,0|2,0,0]=4 2945 B6R0.1 C=C(CN)COC Amb25262850 [0,1,1,0,0,0|1,1,0]=4 2946 B6R0.1 C=C(CN)CSC Amb25048378 [0,1,1,0,0,0|1,0,0]=3 2947 B6R0.1 C=C(CO)CCN Amb24426567 [0,1,1,0,0,0|2,0,0]=4 2948 B6R0.1 C=C(CO)CCO Amb25825219 [0,1,1,0,0,0|1,1,0]=4 2949 B6R0.1 C=CC(=O)CCC Amb8630773 [0,1,1,0,0,0|1,0,1]=4 2950 B6R0.1 C=CC(=O)CCCl Amb24446646 [0,1,1,0,0,0|1,0,1]=4 2951 B6R0.1 C=CC(=O)CCF Amb33480698 [0,1,1,0,0,0|1,0,1]=4 2952 B6R0.1 C=CC(=O)COC Amb22168158 [0,1,1,0,0,0|0,1,1]=4 2953 B6R0.1 C=CC(=O)CSC Amb26974013 [0,1,1,0,0,0|0,0,1]=3 2954 B6R0.1 C=CCC(=O)CC Amb27173052 [0,1,1,0,0,0|1,0,1]=4 2955 B6R0.1 C=CCC(=O)CN Amb32410102 [0,1,1,0,0,0|1,0,1]=4 2956 B6R0.1 C=CCC(=O)NC Amb24479782 [0,1,1,0,0,0|1,0,1]=4 2957 B6R0.1 CC#CC(=O)CC Amb26041340 [0,1,1,0,0,0|1,0,1]=4 2958 B6R0.1 CC#CC(=O)CCl Amb27257962 [0,1,1,0,0,0|1,0,1]=4 2959 B6R0.1 CC#CC(=O)OC Amb2689389 [0,1,1,0,0,0|1,0,1]=4 2960 B6R0.1 CC(C=O)CCBr Amb18126359 [0,1,1,0,0,0|1,0,1]=4 2961 B6R0.1 CC(C=O)CCF Amb33196124 [0,1,1,0,0,0|1,0,1]=4 2962 B6R0.1 CC(C=O)CCO Amb28208492 [0,1,1,0,0,0|0,1,1]=4 2963 B6R0.1 CCC(=O)CC#N Amb9205370 [0,1,1,0,0,0|1,0,1]=4 2964 B6R0.1 CCC(=O)CCBr Amb27401869 [0,1,1,0,0,0|1,0,0]=3 2965 B6R0.1 CCC(=O)CCI Amb27232362 [0,1,1,0,0,0|1,0,0]=3 2966 B6R0.1 CCC(=O)CCN Amb18202790 [0,1,1,0,0,0|1,0,0]=3 2967 B6R0.1 CCC(=O)CCO Amb26872941 [0,1,1,0,0,0|0,1,0]=3 2968 B6R0.1 CCC(=O)CCS Amb24733984 [0,1,1,0,0,0|0,0,0]=2 2969 B6R0.1 CCC(=O)CNC Amb26408381 [0,1,1,0,0,0|1,0,0]=3 2970 B6R0.1 CCC(=O)CNC Amb32410106 [0,1,1,0,0,0|1,0,0]=3 2971 B6R0.1 CCC(=O)CNO Amb27434221 [0,1,1,0,0,0|1,1,0]=4 2972 B6R0.1 CCC(=O)COC Amb19515551 [0,1,1,0,0,0|0,1,0]=3 2973 B6R0.1 CCC(=O)CSC Amb8393183 [0,1,1,0,0,0|0,0,0]=2 2974 B6R0.1 CCC(=O)NCO Amb27235623 [0,1,1,0,0,0|1,1,0]=4 2975 B6R0.1 CCC(=O)OCBr Amb26425071 [0,1,1,0,0,0|2,0,0]=4 2976 B6R0.1 CCC(=O)OCCl Amb26580339 [0,1,1,0,0,0|2,0,0]=4 2977 B6R0.1 CCC(=O)OCN Amb27592382 [0,1,1,0,0,0|2,0,0]=4 2978 B6R0.1 CCC(=O)OCS Amb27593467 [0,1,1,0,0,0|1,0,0]=3 2979 B6R0.1 CCC(C)CCS Amb24657421 [0,1,1,0,0,0|1,0,1]=4 2980 B6R0.1 CCC(C)CSC Amb28293984 [0,1,1,0,0,0|1,0,1]=4 2981 B6R0.1 CCC(N)CSC Amb17485955 [0,1,1,0,0,0|1,0,1]=4 2982 B6R0.1 CCC(O)CCS Amb27170546 [0,1,1,0,0,0|0,0,2]=4 2983 B6R0.1 CCCC(=N)NC Amb27254401 [0,1,1,0,0,0|2,0,0]=4 2984 B6R0.1 CCCC(=O)CBr Amb24433274 [0,1,1,0,0,0|1,0,0]=3 2985 B6R0.1 CCCC(=O)CC Amb8513390 [0,1,1,0,0,0|1,0,0]=3 2986 B6R0.1 CCCC(=O)CCl Amb19372924 [0,1,1,0,0,0|1,0,0]=3 2987 B6R0.1 CCCC(=O)CI Amb27876205 [0,1,1,0,0,0|1,0,0]=3 2988 B6R0.1 CCCC(=O)CN Amb17593086 [0,1,1,0,0,0|1,0,0]=3 2989 B6R0.1 CCCC(=O)CN Amb28827644 [0,1,1,0,0,0|1,0,0]=3 2990 B6R0.1 CCCC(=O)CO Amb25125092 [0,1,1,0,0,0|1,0,0]=3 2991 B6R0.1 CCCC(=O)NC Amb3886531 [0,1,1,0,0,0|1,0,0]=3 2992 B6R0.1 CCCC(=O)NN Amb6366352 [0,1,1,0,0,0|2,0,0]=4 2993 B6R0.1 CCCC(=O)NO Amb6260495 [0,1,1,0,0,0|2,0,0]=4 2994 B6R0.1 CCCC(=O)OC Amb8516697 [0,1,1,0,0,0|1,0,0]=3 2995 B6R0.1 CCCC(=O)SC Amb8393184 [0,1,1,0,0,0|1,0,0]=3 2996 B6R0.1 CCCC(=S)NC Amb27259343 [0,1,1,0,0,0|1,1,0]=4 2997 B6R0.1 CCCC(=S)OC Amb22043317 [0,1,1,0,0,0|1,1,0]=4 2998 B6R0.1 CCCC(C)C=O Amb3939898 [0,1,1,0,0,0|1,0,1]=4 2999 B6R0.1 CCCN(C)N=O Amb25231763 [0,1,1,0,0,0|2,0,0]=4 3000 B6R0.1 CCC[C@H](C)C=O Amb28248332 [0,1,1,0,0,0|1,0,1]=4 3001 B6R0.1 CCC\C(C)=N\O Amb24693854 [0,1,1,0,0,0|1,0,1]=4 3002 B6R0.1 CCN(C)CCS Amb27461622 [0,1,1,0,0,0|2,0,0]=4 3003 B6R0.1 CCNC(=O)CBr Amb2090261 [0,1,1,0,0,0|2,0,0]=4 3004 B6R0.1 CCNC(=O)CC Amb3886529 [0,1,1,0,0,0|2,0,0]=4 3005 B6R0.1 CCNC(=O)CCl Amb1643925 [0,1,1,0,0,0|2,0,0]=4 3006 B6R0.1 CCNC(=O)CF Amb28316230 [0,1,1,0,0,0|2,0,0]=4 3007 B6R0.1 CCNC(=O)CI Amb23512617 [0,1,1,0,0,0|2,0,0]=4 3008 B6R0.1 CCNC(=O)CN Amb21956656 [0,1,1,0,0,0|2,0,0]=4 3009 B6R0.1 CCNC(=O)CN Amb426696 [0,1,1,0,0,0|2,0,0]=4 3010 B6R0.1 CCNC(=O)CO Amb9421415 [0,1,1,0,0,0|2,0,0]=4 3011 B6R0.1 CCNC(=O)NC Amb24120627 [0,1,1,0,0,0|2,0,0]=4 3012 B6R0.1 CCNC(=O)OC Amb22734099 [0,1,1,0,0,0|2,0,0]=4 3013 B6R0.1 CCOC(=O)CBr Amb2687783 [0,1,1,0,0,0|2,0,0]=4 3014 B6R0.1 CCOC(=O)CC Amb8513446 [0,1,1,0,0,0|2,0,0]=4 3015 B6R0.1 CCOC(=O)CCl Amb3941486 [0,1,1,0,0,0|2,0,0]=4 3016 B6R0.1 CCOC(=O)CF Amb2687849 [0,1,1,0,0,0|2,0,0]=4 3017 B6R0.1 CCOC(=O)CI Amb8514613 [0,1,1,0,0,0|2,0,0]=4 3018 B6R0.1 CCOC(=O)CN Amb2697340 [0,1,1,0,0,0|2,0,0]=4 3019 B6R0.1 CCOC(=O)CN Amb8513174 [0,1,1,0,0,0|2,0,0]=4 3020 B6R0.1 CCOC(=O)CO Amb3939196 [0,1,1,0,0,0|2,0,0]=4 3021 B6R0.1 CCOC(=O)CS Amb6608734 [0,1,1,0,0,0|2,0,0]=4 3022 B6R0.1 CCOC(=O)C[NH3+] Amb24113741 [0,1,1,0,0,0|2,0,0]=4 3023 B6R0.1 CCOC(=O)NC Amb8516631 [0,1,1,0,0,0|2,0,0]=4 3024 B6R0.1 CCOC(=O)OC Amb22732530 [0,1,1,0,0,0|2,0,0]=4 3025 B6R0.1 CCS(=O)CCN Amb18290914 [0,1,1,0,0,0|2,0,0]=4 3026 B6R0.1 CCS(=O)CCN Amb19373585 [0,1,1,0,0,0|2,0,0]=4 3027 B6R0.1 CCS(=O)CCO Amb10669566 [0,1,1,0,0,0|1,1,0]=4 3028 B6R0.1 CCSC(=O)CC Amb22043397 [0,1,1,0,0,0|2,0,0]=4 3029 B6R0.1 CCSC(=O)NC Amb28368964 [0,1,1,0,0,0|2,0,0]=4 3030 B6R0.1 CC[C@H](N)CSC Amb27248591 [0,1,1,0,0,0|1,0,1]=4 3031 B6R0.1 CC[C@H](O)CSC Amb28349605 [0,1,1,0,0,0|0,0,2]=4 3032 B6R0.1 CC\C=C(/C)C=O Amb3940425 [0,1,1,0,0,0|1,0,1]=4 3033 B6R0.1 CN(C=O)CCO Amb25849655 [0,1,1,0,0,0|1,1,0]=4 3034 B6R0.1 CN(CCCl)N=O Amb26892866 [0,1,1,0,0,0|2,0,0]=4 3035 B6R0.1 CN(CCO)N=O Amb26393134 [0,1,1,0,0,0|1,1,0]=4 3036 B6R0.1 CNC(=N)CCN Amb27445460 [0,1,1,0,0,0|2,0,0]=4 3037 B6R0.1 CNC(=N)CCO Amb25114075 [0,1,1,0,0,0|1,1,0]=4 3038 B6R0.1 CNC(=N)CCO Amb32680454 [0,1,1,0,0,0|1,1,0]=4 3039 B6R0.1 CNC(=N)COC Amb23513707 [0,1,1,0,0,0|1,1,0]=4 3040 B6R0.1 CNC(=N)COC Amb32671198 [0,1,1,0,0,0|1,1,0]=4 3041 B6R0.1 CNC(=O)CC#N Amb1152273 [0,1,1,0,0,0|1,0,1]=4 3042 B6R0.1 CNC(=O)CCBr Amb17332890 [0,1,1,0,0,0|1,0,0]=3 3043 B6R0.1 CNC(=O)CCCl Amb1130566 [0,1,1,0,0,0|1,0,0]=3 3044 B6R0.1 CNC(=O)CCN Amb1139824 [0,1,1,0,0,0|1,0,0]=3 3045 B6R0.1 CNC(=O)CCN Amb6893005 [0,1,1,0,0,0|1,0,0]=3 3046 B6R0.1 CNC(=O)CCO Amb10608414 [0,1,1,0,0,0|0,1,0]=3 3047 B6R0.1 CNC(=O)CCS Amb25727705 [0,1,1,0,0,0|0,0,0]=2 3048 B6R0.1 CNC(=O)CNN Amb24744455 [0,1,1,0,0,0|2,0,0]=4 3049 B6R0.1 CNC(=O)COC Amb22275885 [0,1,1,0,0,0|0,1,0]=3 3050 B6R0.1 CNC(=O)CON Amb22740185 [0,1,1,0,0,0|1,1,0]=4 3051 B6R0.1 CNC(=O)OCCl Amb29886185 [0,1,1,0,0,0|2,0,0]=4 3052 B6R0.1 CNC(C)CSC Amb18300373 [0,1,1,0,0,0|1,0,1]=4 3053 B6R0.1 CNCC(=O)CF Amb33377251 [0,1,1,0,0,0|1,0,0]=3 3054 B6R0.1 CNCC(=O)NC Amb2371052 [0,1,1,0,0,0|1,0,0]=3 3055 B6R0.1 CNCC(=O)NC Amb423473 [0,1,1,0,0,0|1,0,0]=3 3056 B6R0.1 CNCC(=O)NN Amb16186920 [0,1,1,0,0,0|2,0,0]=4 3057 B6R0.1 CNCC(=O)NN Amb32667538 [0,1,1,0,0,0|2,0,0]=4 3058 B6R0.1 CNCC(=O)OC Amb1153975 [0,1,1,0,0,0|1,0,0]=3 3059 B6R0.1 CNCC(=O)OC Amb2371116 [0,1,1,0,0,0|1,0,0]=3 3060 B6R0.1 CNCC(=S)NC Amb28313782 [0,1,1,0,0,0|1,1,0]=4 3061 B6R0.1 CNC\C(C)=C\Br Amb27958846 [0,1,1,0,0,0|2,0,0]=4 3062 B6R0.1 CNC\C(C)=C\Cl Amb27857601 [0,1,1,0,0,0|2,0,0]=4 3063 B6R0.1 CNNC(=O)NC Amb27461318 [0,1,1,0,0,0|2,0,0]=4 3064 B6R0.1 CNNC(=O)OC Amb22411352 [0,1,1,0,0,0|2,0,0]=4 3065 B6R0.1 CNS(=O)CCCl Amb28347119 [0,1,1,0,0,0|2,0,0]=4 3066 B6R0.1 COC(=N)CCBr Amb27478260 [0,1,1,0,0,0|2,0,0]=4 3067 B6R0.1 COC(=N)CCCl Amb19958799 [0,1,1,0,0,0|2,0,0]=4 3068 B6R0.1 COC(=N)CCCl Amb22234673 [0,1,1,0,0,0|2,0,0]=4 3069 B6R0.1 COC(=N)CCO Amb17593095 [0,1,1,0,0,0|1,1,0]=4 3070 B6R0.1 COC(=O)CC#N Amb3940296 [0,1,1,0,0,0|1,0,1]=4 3071 B6R0.1 COC(=O)CC=O Amb18199826 [0,1,1,0,0,0|0,1,1]=4 3072 B6R0.1 COC(=O)CCBr Amb3940216 [0,1,1,0,0,0|1,0,0]=3 3073 B6R0.1 COC(=O)CCCl Amb8387395 [0,1,1,0,0,0|1,0,0]=3 3074 B6R0.1 COC(=O)CCI Amb24442243 [0,1,1,0,0,0|1,0,0]=3 3075 B6R0.1 COC(=O)CCN Amb1105940 [0,1,1,0,0,0|1,0,0]=3 3076 B6R0.1 COC(=O)CCN Amb2605985 [0,1,1,0,0,0|1,0,0]=3 3077 B6R0.1 COC(=O)CCO Amb8855137 [0,1,1,0,0,0|0,1,0]=3 3078 B6R0.1 COC(=O)CCS Amb2725528 [0,1,1,0,0,0|0,0,0]=2 3079 B6R0.1 COC(=O)CON Amb18640433 [0,1,1,0,0,0|1,1,0]=4 3080 B6R0.1 COC(=O)CON Amb29848090 [0,1,1,0,0,0|1,1,0]=4 3081 B6R0.1 COC(=O)CSC Amb2689527 [0,1,1,0,0,0|0,0,0]=2 3082 B6R0.1 COC(=O)OCCl Amb20623618 [0,1,1,0,0,0|2,0,0]=4 3083 B6R0.1 COC(=O)OCI Amb35753057 [0,1,1,0,0,0|2,0,0]=4 3084 B6R0.1 COCC(=N)OC Amb28989427 [0,1,1,0,0,0|1,1,0]=4 3085 B6R0.1 COCC(=O)CCl Amb24523799 [0,1,1,0,0,0|0,1,0]=3 3086 B6R0.1 COCC(=O)CI Amb27414026 [0,1,1,0,0,0|0,1,0]=3 3087 B6R0.1 COCC(=O)CN Amb18833134 [0,1,1,0,0,0|0,1,0]=3 3088 B6R0.1 COCC(=O)NN Amb6548366 [0,1,1,0,0,0|1,1,0]=4 3089 B6R0.1 COCC(=O)OC Amb8513624 [0,1,1,0,0,0|0,1,0]=3 3090 B6R0.1 COCC(C)C=O Amb33545315 [0,1,1,0,0,0|0,1,1]=4 3091 B6R0.1 CONC(=O)CCl Amb7969376 [0,1,1,0,0,0|1,1,0]=4 3092 B6R0.1 CONC(=O)CN Amb20669419 [0,1,1,0,0,0|1,1,0]=4 3093 B6R0.1 CONC(=O)CN Amb27398660 [0,1,1,0,0,0|1,1,0]=4 3094 B6R0.1 CONC(=O)CO Amb28344874 [0,1,1,0,0,0|1,1,0]=4 3095 B6R0.1 COS(=O)CCBr Amb27403603 [0,1,1,0,0,0|2,0,0]=4 3096 B6R0.1 CO[PH](=O)CCBr Amb27657609 [0,1,1,0,0,0|2,0,0]=4 3097 B6R0.1 CSC(=O)CCO Amb27662309 [0,1,1,0,0,0|0,1,0]=3 3098 B6R0.1 CSC(=O)OCCl Amb27602024 [0,1,1,0,0,0|2,0,0]=4 3099 B6R0.1 CSCC(=O)CCl Amb25965373 [0,1,1,0,0,0|0,0,0]=2 3100 B6R0.1 CSCC(=O)CN Amb33225415 [0,1,1,0,0,0|0,0,0]=2 3101 B6R0.1 CSCC(=O)NN Amb22058723 [0,1,1,0,0,0|1,0,0]=3 3102 B6R0.1 CSCC(=O)NO Amb28057751 [0,1,1,0,0,0|1,0,0]=3 3103 B6R0.1 CSCC(C)C#N Amb26636150 [0,1,1,0,0,0|1,0,1]=4 3104 B6R0.1 CSCC(C)C=O Amb20621025 [0,1,1,0,0,0|0,0,1]=3 3105 B6R0.1 CSCC(C)CBr Amb25861163 [0,1,1,0,0,0|1,0,1]=4 3106 B6R0.1 CSCC(C)CCl Amb28398290 [0,1,1,0,0,0|1,0,1]=4 3107 B6R0.1 CSCC(C)CN Amb18970333 [0,1,1,0,0,0|1,0,1]=4 3108 B6R0.1 CSCC(C)CO Amb33530103 [0,1,1,0,0,0|0,0,2]=4 3109 B6R0.1 CSCC(C)NN Amb27488619 [0,1,1,0,0,0|1,0,1]=4 3110 B6R0.1 CSCC(C)ON Amb33271740 [0,1,1,0,0,0|0,0,2]=4 3111 B6R0.1 CSCC(F)CN Amb33225456 [0,1,1,0,0,0|1,0,1]=4 3112 B6R0.1 CSCC(N)CO Amb18642038 [0,1,1,0,0,0|1,0,1]=4 3113 B6R0.1 CSCC(O)C=O Amb27438538 [0,1,1,0,0,0|1,0,1]=4 3114 B6R0.1 CSCC(O)CBr Amb28133716 [0,1,1,0,0,0|0,0,2]=4 3115 B6R0.1 CSCC(O)CCl Amb17593559 [0,1,1,0,0,0|0,0,2]=4 3116 B6R0.1 CSCC(O)CF Amb26450105 [0,1,1,0,0,0|0,0,2]=4 3117 B6R0.1 CSCC(O)CN Amb18523764 [0,1,1,0,0,0|0,0,2]=4 3118 B6R0.1 CSCC(O)CO Amb26908305 [0,1,1,0,0,0|0,0,2]=4 3119 B6R0.1 CSCC(S)CO Amb35752151 [0,1,1,0,0,0|0,1,1]=4 3120 B6R0.1 CSC[C@@H](N)CO Amb24479894 [0,1,1,0,0,0|1,0,1]=4 3121 B6R0.1 CSC[C@@H](O)CN Amb25220971 [0,1,1,0,0,0|0,0,2]=4 3122 B6R0.1 CSC[C@H](N)CO Amb27229163 [0,1,1,0,0,0|1,0,1]=4 3123 B6R0.1 CSC[C@H](O)CN Amb25226300 [0,1,1,0,0,0|0,0,2]=4 3124 B6R0.1 CSC\C(N)=N\N Amb28458092 [0,1,1,0,0,0|2,0,0]=4 3125 B6R0.1 CSC\C(N)=N\O Amb8385720 [0,1,1,0,0,0|1,0,1]=4 3126 B6R0.1 C[C@@H](C=O)CCO Amb27394744 [0,1,1,0,0,0|0,1,1]=4 3127 B6R0.1 C[C@H](C=O)CCCl Amb28252660 [0,1,1,0,0,0|1,0,1]=4 3128 B6R0.1 C[C@H](C=O)CCO Amb27260814 [0,1,1,0,0,0|0,1,1]=4 3129 B6R0.1 C[NH2+]CC(=O)OC Amb22045201 [0,1,1,0,0,0|1,0,0]=3 3130 B6R0.1 C[NH2+]CC(=O)OC Amb24113851 [0,1,1,0,0,0|1,0,0]=3 3131 B6R0.1 C\C(=C/I)CCO Amb27977006 [0,1,1,0,0,0|1,1,0]=4 3132 B6R0.1 C\C(=C/N)CCN Amb27668659 [0,1,1,0,0,0|2,0,0]=4 3133 B6R0.1 C\C(C=O)=C/CCl Amb18122638 [0,1,1,0,0,0|1,0,1]=4 3134 B6R0.1 C\C(CCCl)=N/O Amb27832450 [0,1,1,0,0,0|1,0,1]=4 3135 B6R0.1 C\C(CCO)=N/N Amb28453929 [0,1,1,0,0,0|1,1,0]=4 3136 B6R0.1 C\C=C(/C)CCBr Amb27165785 [0,1,1,0,0,0|2,0,0]=4 3137 B6R0.1 C\C=C(/C)CCC Amb25744974 [0,1,1,0,0,0|2,0,0]=4 3138 B6R0.1 C\C=C(/C)CCI Amb27423553 [0,1,1,0,0,0|2,0,0]=4 3139 B6R0.1 C\C=C(/C)CCN Amb18639509 [0,1,1,0,0,0|2,0,0]=4 3140 B6R0.1 C\C=C(/C)CCO Amb24674649 [0,1,1,0,0,0|1,1,0]=4 3141 B6R0.1 C\C=C(/C)CNC Amb28241639 [0,1,1,0,0,0|2,0,0]=4 3142 B6R0.1 C\C=C(\C)CCO Amb28077117 [0,1,1,0,0,0|1,1,0]=4 3143 B6R0.1 C\C=C\C(=O)CC Amb8517594 [0,1,1,0,0,0|1,0,1]=4 3144 B6R0.1 C\C=C\C(=O)CCl Amb26438240 [0,1,1,0,0,0|1,0,1]=4 3145 B6R0.1 C\C=C\C(=O)OC Amb8513568 [0,1,1,0,0,0|1,0,1]=4 3146 B6R0.1 NCC(=O)CCF Amb26604148 [0,1,1,0,0,0|1,0,0]=3 3147 B6R0.1 NCC(=O)OCCl Amb27204265 [0,1,1,0,0,0|2,0,0]=4 3148 B6R0.1 NCCC(=O)CF Amb33377162 [0,1,1,0,0,0|1,0,0]=3 3149 B6R0.1 NCCC(=O)CN Amb18121893 [0,1,1,0,0,0|1,0,0]=3 3150 B6R0.1 NCCC(=O)NN Amb18559344 [0,1,1,0,0,0|2,0,0]=4 3151 B6R0.1 NCCC(=O)NO Amb33543073 [0,1,1,0,0,0|2,0,0]=4 3152 B6R0.1 NCCS(=O)CCl Amb27413858 [0,1,1,0,0,0|2,0,0]=4 3153 B6R0.1 NNC(=O)CCO Amb20622339 [0,1,1,0,0,0|1,1,0]=4 3154 B6R0.1 NNC(=O)CCS Amb20622690 [0,1,1,0,0,0|1,0,0]=3 3155 B6R0.1 N[C@H](CS)CCS Amb27145708 [0,1,1,0,0,0|1,0,1]=4 3156 B6R0.1 O=C(CBr)CCBr Amb26567374 [0,1,1,0,0,0|1,0,0]=3 3157 B6R0.1 O=C(CBr)CCCl Amb27984732 [0,1,1,0,0,0|1,0,0]=3 3158 B6R0.1 O=C(CBr)NCO Amb25286051 [0,1,1,0,0,0|1,1,0]=4 3159 B6R0.1 O=C(CCBr)NO Amb28195718 [0,1,1,0,0,0|2,0,0]=4 3160 B6R0.1 O=C(CCCl)NO Amb25865278 [0,1,1,0,0,0|2,0,0]=4 3161 B6R0.1 O=C(CCl)CCCl Amb22395038 [0,1,1,0,0,0|1,0,0]=3 3162 B6R0.1 O=C(CCl)CCF Amb33413998 [0,1,1,0,0,0|1,0,0]=3 3163 B6R0.1 O=C(CCl)NCO Amb1153096 [0,1,1,0,0,0|1,1,0]=4 3164 B6R0.1 O=C(CCl)OCCl Amb27391668 [0,1,1,0,0,0|2,0,0]=4 3165 B6R0.1 O=C(CF)CCF Amb28424077 [0,1,1,0,0,0|1,0,0]=3 3166 B6R0.1 O=C(CF)NCO Amb27625787 [0,1,1,0,0,0|1,1,0]=4 3167 B6R0.1 O=C(CO)CCO Amb10603377 [0,1,1,0,0,0|0,1,0]=3 3168 B6R0.1 O=C(CO)NCO Amb27593459 [0,1,1,0,0,0|1,1,0]=4 3169 B6R0.1 O=CC(=O)CCO Amb28050238 [0,1,1,0,0,0|0,1,1]=4 3170 B6R0.1 OC(CS)CCS Amb27260278 [0,1,1,0,0,0|0,0,2]=4 3171 B6R0.1 OCC(S)CCS Amb28065143 [0,1,1,0,0,0|0,1,1]=4 3172 B6R0.1 [C-]#[N+]C(C)CSC Amb33271174 [0,1,1,0,0,0|1,0,1]=4 3173 B6R0.1 [C-]#[N+]CC(=O)NC Amb27423435 [0,1,1,0,0,0|1,0,1]=4 3174 B6R0.1 [C-]#[N+]CC(=O)OC Amb2697203 [0,1,1,0,0,0|1,0,1]=4 3175 B6R0.2 C=C(C)CC(=C)C Amb25887934 [0,1,1,0,0,0|2,0,0]=4 3176 B6R0.2 C=C(C)CC(=O)O Amb6278832 [0,1,1,0,0,0|2,0,0]=4 3177 B6R0.2 C=C(C)CC(C)=O Amb17593075 [0,1,1,0,0,0|1,0,0]=3 3178 B6R0.2 C=C(C)CC(C)Br Amb24365286 [0,1,1,0,0,0|2,0,0]=4 3179 B6R0.2 C=C(C)CC(C)C Amb4019530 [0,1,1,0,0,0|2,0,0]=4 3180 B6R0.2 C=C(C)CC(C)Cl Amb24558200 [0,1,1,0,0,0|2,0,0]=4 3181 B6R0.2 C=C(C)CC(C)O Amb17593083 [0,1,1,0,0,0|1,1,0]=4 3182 B6R0.2 C=C(C)CN(C)C Amb25747292 [0,1,1,0,0,0|2,0,0]=4 3183 B6R0.2 C=C(C)CN(C)O Amb33199952 [0,1,1,0,0,0|2,0,0]=4 3184 B6R0.2 C=C(C)C[C@@H](C)N Amb33199541 [0,1,1,0,0,0|2,0,0]=4 3185 B6R0.2 C=C(C)C[C@@H](C)O Amb25888510 [0,1,1,0,0,0|1,1,0]=4 3186 B6R0.2 C=C(C)C[C@H](C)N Amb33199534 [0,1,1,0,0,0|2,0,0]=4 3187 B6R0.2 C=C(C)C[C@H](C)O Amb27466720 [0,1,1,0,0,0|1,1,0]=4 3188 B6R0.2 C=C(C)OC(C)=O Amb6608981 [0,1,1,0,0,0|2,0,0]=4 3189 B6R0.2 CC(=O)C=C(C)C Amb2793052 [0,1,1,0,0,0|1,0,1]=4 3190 B6R0.2 CC(=O)CC(=O)F Amb28122452 [0,1,1,0,0,0|0,1,1]=4 3191 B6R0.2 CC(=O)CC(=O)O Amb377432 [0,1,1,0,0,0|0,1,1]=4 3192 B6R0.2 CC(=O)CC(=O)[O-] Amb31031013 [0,1,1,0,0,0|0,1,1]=4 3193 B6R0.2 CC(=O)CC(C)=O Amb2716228 [0,1,1,0,0,0|1,0,0]=3 3194 B6R0.2 CC(=O)CC(C)=S Amb28381251 [0,1,1,0,0,0|1,0,0]=3 3195 B6R0.2 CC(=O)CC(C)C Amb4605990 [0,1,1,0,0,0|1,0,0]=3 3196 B6R0.2 CC(=O)CC(C)Cl Amb17593234 [0,1,1,0,0,0|1,0,0]=3 3197 B6R0.2 CC(=O)CC(C)N Amb22587050 [0,1,1,0,0,0|1,0,0]=3 3198 B6R0.2 CC(=O)CC(C)N Amb2583230 [0,1,1,0,0,0|1,0,0]=3 3199 B6R0.2 CC(=O)CC(C)O Amb17593091 [0,1,1,0,0,0|0,1,0]=3 3200 B6R0.2 CC(=O)CC(C)S Amb24600676 [0,1,1,0,0,0|0,0,0]=2 3201 B6R0.2 CC(=O)CC(C)[O-] Amb22053622 [0,1,1,0,0,0|0,1,0]=3 3202 B6R0.2 CC(=O)CC(F)F Amb24669174 [0,1,1,0,0,0|1,0,0]=3 3203 B6R0.2 CC(=O)CC(N)=O Amb6608777 [0,1,1,0,0,0|0,1,1]=4 3204 B6R0.2 CC(=O)CN(C)C Amb9217324 [0,1,1,0,0,0|1,0,0]=3 3205 B6R0.2 CC(=O)C[C@@H](C)N Amb27493422 [0,1,1,0,0,0|1,0,0]=3 3206 B6R0.2 CC(=O)C[C@H](C)N Amb27222720 [0,1,1,0,0,0|1,0,0]=3 3207 B6R0.2 CC(=O)C[N+](=O)[O-] Amb18833135 [0,1,1,0,0,0|1,1,0]=4 3208 B6R0.2 CC(=O)C[PH](=O)O Amb27975190 [0,1,1,0,0,0|1,1,0]=4 3209 B6R0.2 CC(=O)C[S+](C)Cl Amb27835653 [0,1,1,0,0,0|0,0,1]=3 3210 B6R0.2 CC(=O)NC(=S)S Amb27464461 [0,1,1,0,0,0|1,0,1]=4 3211 B6R0.2 CC(=O)NC(C)=O Amb4066511 [0,1,1,0,0,0|2,0,0]=4 3212 B6R0.2 CC(=O)NC(C)=S Amb28246616 [0,1,1,0,0,0|2,0,0]=4 3213 B6R0.2 CC(=O)NC(C)Br Amb27444682 [0,1,1,0,0,0|2,0,0]=4 3214 B6R0.2 CC(=O)NC(C)C Amb3366263 [0,1,1,0,0,0|2,0,0]=4 3215 B6R0.2 CC(=O)NC(C)N Amb27468729 [0,1,1,0,0,0|2,0,0]=4 3216 B6R0.2 CC(=O)NN(C)C Amb25064806 [0,1,1,0,0,0|2,0,0]=4 3217 B6R0.2 CC(=O)OC(C)=O Amb2793035 [0,1,1,0,0,0|2,0,0]=4 3218 B6R0.2 CC(=O)OC(C)Br Amb19958925 [0,1,1,0,0,0|2,0,0]=4 3219 B6R0.2 CC(=O)OC(C)C Amb3940484 [0,1,1,0,0,0|2,0,0]=4 3220 B6R0.2 CC(=O)OC(C)Cl Amb24058273 [0,1,1,0,0,0|2,0,0]=4 3221 B6R0.2 CC(=O)OC(C)N Amb27184949 [0,1,1,0,0,0|2,0,0]=4 3222 B6R0.2 CC(=O)OC(C)O Amb27457187 [0,1,1,0,0,0|1,1,0]=4 3223 B6R0.2 CC(=O)OC(Cl)Cl Amb28382549 [0,1,1,0,0,0|2,0,0]=4 3224 B6R0.2 CC(=O)O[SiH](C)C Amb2687439 [0,1,1,0,0,0|2,0,0]=4 3225 B6R0.2 CC(=O)SC(C)=O Amb4025813 [0,1,1,0,0,0|2,0,0]=4 3226 B6R0.2 CC(=O)[CH-]C(C)=O Amb34196937 [0,1,1,0,0,0|1,0,1]=4 3227 B6R0.2 CC(=O)[CH-]C(C)=O Amb9787378 [0,1,1,0,0,0|1,0,1]=4 3228 B6R0.2 CC(=O)\C=C(/C)N Amb1149988 [0,1,1,0,0,0|1,0,1]=4 3229 B6R0.2 CC(=O)\C=C(/C)S Amb27658727 [0,1,1,0,0,0|0,0,2]=4 3230 B6R0.2 CC(=O)\C=C(\C)Br Amb27838200 [0,1,1,0,0,0|1,0,1]=4 3231 B6R0.2 CC(=O)\C=C(\C)Cl Amb27196730 [0,1,1,0,0,0|1,0,1]=4 3232 B6R0.2 CC(=O)\C=C(\C)N Amb2720902 [0,1,1,0,0,0|1,0,1]=4 3233 B6R0.2 CC(=O)\C=C(\C)O Amb34915197 [0,1,1,0,0,0|1,0,1]=4 3234 B6R0.2 CC(=O)\C=C(\C)S Amb26910658 [0,1,1,0,0,0|0,0,2]=4 3235 B6R0.2 CC(=O)\C=C(\C)[O-] Amb19959976 [0,1,1,0,0,0|1,0,1]=4 3236 B6R0.2 CC(=O)\C=C(\C)[O-] Amb20239443 [0,1,1,0,0,0|1,0,1]=4 3237 B6R0.2 CC(=O)\C=C(\C)[O-] Amb22045408 [0,1,1,0,0,0|1,0,1]=4 3238 B6R0.2 CC(=O)\C=C(\C)[O-] Amb22053071 [0,1,1,0,0,0|1,0,1]=4 3239 B6R0.2 CC(=O)\C=C(\C)[O-] Amb22053499 [0,1,1,0,0,0|1,0,1]=4 3240 B6R0.2 CC(=O)\C=C(\C)[O-] Amb22053500 [0,1,1,0,0,0|1,0,1]=4 3241 B6R0.2 CC(=O)\C=C(\C)[O-] Amb22053502 [0,1,1,0,0,0|1,0,1]=4 3242 B6R0.2 CC(=O)\C=C(\C)[O-] Amb22053503 [0,1,1,0,0,0|1,0,1]=4 3243 B6R0.2 CC(=O)\C=C(\C)[O-] Amb22053694 [0,1,1,0,0,0|1,0,1]=4 3244 B6R0.2 CC(=O)\C=C(\C)[O-] Amb22053940 [0,1,1,0,0,0|1,0,1]=4 3245 B6R0.2 CC(=O)\C=C(\C)[O-] Amb22054020 [0,1,1,0,0,0|1,0,1]=4 3246 B6R0.2 CC(=O)\C=C(\C)[O-] Amb22466635 [0,1,1,0,0,0|1,0,1]=4 3247 B6R0.2 CC(=O)\C=C(\C)[O-] Amb22729908 [0,1,1,0,0,0|1,0,1]=4 3248 B6R0.2 CC(=O)\C=C(\C)[O-] Amb22730050 [0,1,1,0,0,0|1,0,1]=4 3249 B6R0.2 CC(=O)\C=C(\C)[O-] Amb34915499 [0,1,1,0,0,0|1,0,1]=4 3250 B6R0.2 CC(=O)\N=C(/C)N Amb27796085 [0,1,1,0,0,0|2,0,0]=4 3251 B6R0.2 CC(=S)CC(=O)O Amb28067768 [0,1,1,0,0,0|2,0,0]=4 3252 B6R0.2 CC(Br)CC(=O)O Amb8517108 [0,1,1,0,0,0|2,0,0]=4 3253 B6R0.2 CC(C)CC(=O)Br Amb26486664 [0,1,1,0,0,0|2,0,0]=4 3254 B6R0.2 CC(C)CC(=O)Cl Amb2792902 [0,1,1,0,0,0|2,0,0]=4 3255 B6R0.2 CC(C)CC(=O)F Amb32667643 [0,1,1,0,0,0|2,0,0]=4 3256 B6R0.2 CC(C)CC(=O)O Amb3939848 [0,1,1,0,0,0|2,0,0]=4 3257 B6R0.2 CC(C)CC(C)S Amb7784717 [0,1,1,0,0,0|1,0,1]=4 3258 B6R0.2 CC(C)CC(N)=O Amb2722931 [0,1,1,0,0,0|2,0,0]=4 3259 B6R0.2 CC(C)CS(C)=O Amb27972160 [0,1,1,0,0,0|2,0,0]=4 3260 B6R0.2 CC(Cl)CC(=O)Cl Amb28343061 [0,1,1,0,0,0|2,0,0]=4 3261 B6R0.2 CC(Cl)CC(=O)O Amb3940607 [0,1,1,0,0,0|2,0,0]=4 3262 B6R0.2 CC(I)CC(=O)O Amb28398380 [0,1,1,0,0,0|2,0,0]=4 3263 B6R0.2 CC(N)CC(=O)O Amb8379759 [0,1,1,0,0,0|2,0,0]=4 3264 B6R0.2 CC(N)CC(=O)S Amb27413857 [0,1,1,0,0,0|2,0,0]=4 3265 B6R0.2 CC(N)CC(N)=O Amb18281237 [0,1,1,0,0,0|2,0,0]=4 3266 B6R0.2 CC(N)CC(N)=O Amb33532770 [0,1,1,0,0,0|2,0,0]=4 3267 B6R0.2 CC(N)CS(C)=O Amb33546327 [0,1,1,0,0,0|2,0,0]=4 3268 B6R0.2 CC(O)CC(=O)O Amb8513187 [0,1,1,0,0,0|1,1,0]=4 3269 B6R0.2 CC(O)CC(=O)[O-] Amb2725536 [0,1,1,0,0,0|1,1,0]=4 3270 B6R0.2 CC(O)CC(C)S Amb24122653 [0,1,1,0,0,0|0,0,2]=4 3271 B6R0.2 CC(O)CC(N)=O Amb26394320 [0,1,1,0,0,0|1,1,0]=4 3272 B6R0.2 CC(O)CS(C)=O Amb28137235 [0,1,1,0,0,0|1,1,0]=4 3273 B6R0.2 CC(S)CC(=O)O Amb33538201 [0,1,1,0,0,0|1,0,0]=3 3274 B6R0.2 CC(S)CN(C)C Amb24415953 [0,1,1,0,0,0|2,0,0]=4 3275 B6R0.2 CN(C)CC(=O)Cl Amb22732502 [0,1,1,0,0,0|2,0,0]=4 3276 B6R0.2 CN(C)CC(=O)Cl Amb3939582 [0,1,1,0,0,0|2,0,0]=4 3277 B6R0.2 CN(C)CC(=O)O Amb3319051 [0,1,1,0,0,0|2,0,0]=4 3278 B6R0.2 CN(C)CC(=O)O Amb3940366 [0,1,1,0,0,0|2,0,0]=4 3279 B6R0.2 CN(C)CC(N)=O Amb17231806 [0,1,1,0,0,0|2,0,0]=4 3280 B6R0.2 CN(C)CC(N)=O Amb33321491 [0,1,1,0,0,0|2,0,0]=4 3281 B6R0.2 CN(N)CC(=O)O Amb23592296 [0,1,1,0,0,0|2,0,0]=4 3282 B6R0.2 CN(O)CC(=O)O Amb29838290 [0,1,1,0,0,0|2,0,0]=4 3283 B6R0.2 CS(=O)CC(N)=O Amb24394100 [0,1,1,0,0,0|1,0,1]=4 3284 B6R0.2 C[C@@H](Br)CC(=O)O Amb27637683 [0,1,1,0,0,0|2,0,0]=4 3285 B6R0.2 C[C@@H](Cl)CC(=O)O Amb27851223 [0,1,1,0,0,0|2,0,0]=4 3286 B6R0.2 C[C@@H](N)CC(=O)O Amb16184009 [0,1,1,0,0,0|2,0,0]=4 3287 B6R0.2 C[C@@H](N)CC(=O)O Amb8397201 [0,1,1,0,0,0|2,0,0]=4 3288 B6R0.2 C[C@@H](O)CC(=O)O Amb4166322 [0,1,1,0,0,0|1,1,0]=4 3289 B6R0.2 C[C@@H](O)CC(=O)[O-] Amb8470924 [0,1,1,0,0,0|1,1,0]=4 3290 B6R0.2 C[C@@H](O)CS(C)=O Amb27457390 [0,1,1,0,0,0|1,1,0]=4 3291 B6R0.2 C[C@H](Br)CC(=O)O Amb24432019 [0,1,1,0,0,0|2,0,0]=4 3292 B6R0.2 C[C@H](N)CC(=O)O Amb16184012 [0,1,1,0,0,0|2,0,0]=4 3293 B6R0.2 C[C@H](N)CC(=O)O Amb8397200 [0,1,1,0,0,0|2,0,0]=4 3294 B6R0.2 C[C@H](N)CC(N)=O Amb27873963 [0,1,1,0,0,0|2,0,0]=4 3295 B6R0.2 C[C@H](O)CC(=O)O Amb22232025 [0,1,1,0,0,0|1,1,0]=4 3296 B6R0.2 C[NH+](C)CC(=O)Cl Amb24113885 [0,1,1,0,0,0|2,0,0]=4 3297 B6R0.2 C[NH+](C)CC(=O)O Amb24113881 [0,1,1,0,0,0|2,0,0]=4 3298 B6R0.2 C[NH+](C)CC(=O)O Amb4007789 [0,1,1,0,0,0|2,0,0]=4 3299 B6R0.2 C[S+](C)CC(=O)[O-] Amb26065720 [0,1,1,0,0,0|1,0,1]=4 3300 B6R0.2 NC(=O)CC(F)F Amb28401488 [0,1,1,0,0,0|2,0,0]=4 3301 B6R0.2 NC(S)CC(=O)O Amb27391244 [0,1,1,0,0,0|1,0,0]=3 3302 B6R0.2 O=C(O)CC(Cl)Cl Amb27815068 [0,1,1,0,0,0|2,0,0]=4 3303 B6R0.2 O=C(O)CC(F)F Amb22001551 [0,1,1,0,0,0|2,0,0]=4 3304 B6R0.2 O=C([O-])CC(F)F Amb24117960 [0,1,1,0,0,0|2,0,0]=4 3305 B6R0.3 C=C(C)C(Br)CO Amb25707965 [0,1,1,0,0,0|1,1,0]=4 3306 B6R0.3 C=C(C)C(C)CBr Amb27844717 [0,1,1,0,0,0|2,0,0]=4 3307 B6R0.3 C=C(C)C(C)CN Amb17593078 [0,1,1,0,0,0|2,0,0]=4 3308 B6R0.3 C=C(C)C(C)CO Amb24539367 [0,1,1,0,0,0|1,1,0]=4 3309 B6R0.3 C=C(C)C(Cl)CBr Amb27408616 [0,1,1,0,0,0|2,0,0]=4 3310 B6R0.3 C=C(C)C(Cl)CC Amb27229374 [0,1,1,0,0,0|2,0,0]=4 3311 B6R0.3 C=C(C)C(Cl)CO Amb27858700 [0,1,1,0,0,0|1,1,0]=4 3312 B6R0.3 C=C(C)C(F)CN Amb27784739 [0,1,1,0,0,0|2,0,0]=4 3313 B6R0.3 C=C(C)C(F)CO Amb28043434 [0,1,1,0,0,0|1,1,0]=4 3314 B6R0.3 C=C(C)C(N)CO Amb26544297 [0,1,1,0,0,0|1,1,0]=4 3315 B6R0.3 C=C(C)C(O)CBr Amb24739517 [0,1,1,0,0,0|2,0,0]=4 3316 B6R0.3 C=C(C)C(O)CC Amb26365874 [0,1,1,0,0,0|2,0,0]=4 3317 B6R0.3 C=C(C)C(O)CCl Amb24332083 [0,1,1,0,0,0|2,0,0]=4 3318 B6R0.3 C=C(C)C(O)CF Amb33199537 [0,1,1,0,0,0|2,0,0]=4 3319 B6R0.3 C=C(C)C(O)CI Amb27777240 [0,1,1,0,0,0|2,0,0]=4 3320 B6R0.3 C=C(C)C(O)CN Amb27844577 [0,1,1,0,0,0|2,0,0]=4 3321 B6R0.3 C=C(C)C(O)CO Amb23570510 [0,1,1,0,0,0|1,1,0]=4 3322 B6R0.3 C=C(C)[C@@H](N)CO Amb25693320 [0,1,1,0,0,0|1,1,0]=4 3323 B6R0.3 C=C(C)[C@@H](O)CN Amb33226186 [0,1,1,0,0,0|2,0,0]=4 3324 B6R0.3 C=C(C)[C@H](C)CO Amb28350373 [0,1,1,0,0,0|1,1,0]=4 3325 B6R0.3 C=C(C)[C@H](F)CO Amb27763892 [0,1,1,0,0,0|1,1,0]=4 3326 B6R0.3 C=C(C)[C@H](N)CO Amb27174504 [0,1,1,0,0,0|1,1,0]=4 3327 B6R0.3 C=C(C)[C@H](O)CN Amb33226204 [0,1,1,0,0,0|2,0,0]=4 3328 B6R0.3 C=C(CO)C(C)=O Amb24571845 [0,1,1,0,0,0|0,1,1]=4 3329 B6R0.3 C=C(CS)C(=O)O Amb27263242 [0,1,1,0,0,0|1,0,1]=4 3330 B6R0.3 C=C(OC)C(C)=O Amb28126662 [0,1,1,0,0,0|0,1,1]=4 3331 B6R0.3 C=C(SC)C(=O)O Amb27882690 [0,1,1,0,0,0|1,0,1]=4 3332 B6R0.3 C=CC(O)C(C)=O Amb27838239 [0,1,1,0,0,0|1,0,1]=4 3333 B6R0.3 CC(=O)C(=O)CBr Amb17506257 [0,1,1,0,0,0|1,0,1]=4 3334 B6R0.3 CC(=O)C(=O)CCl Amb17506258 [0,1,1,0,0,0|1,0,1]=4 3335 B6R0.3 CC(=O)C(Br)C=O Amb17232509 [0,1,1,0,0,0|0,1,1]=4 3336 B6R0.3 CC(=O)C(Br)CBr Amb27597612 [0,1,1,0,0,0|1,0,0]=3 3337 B6R0.3 CC(=O)C(C)C#N Amb8847377 [0,1,1,0,0,0|1,0,1]=4 3338 B6R0.3 CC(=O)C(C)C=N Amb28199842 [0,1,1,0,0,0|1,0,1]=4 3339 B6R0.3 CC(=O)C(C)C=O Amb18639572 [0,1,1,0,0,0|0,1,1]=4 3340 B6R0.3 CC(=O)C(C)CCl Amb26477594 [0,1,1,0,0,0|1,0,0]=3 3341 B6R0.3 CC(=O)C(C)CO Amb10844844 [0,1,1,0,0,0|0,1,0]=3 3342 B6R0.3 CC(=O)C(Cl)C=O Amb28137911 [0,1,1,0,0,0|0,1,1]=4 3343 B6R0.3 CC(=O)C(Cl)CCl Amb27257955 [0,1,1,0,0,0|1,0,0]=3 3344 B6R0.3 CC(=O)C(O)CO Amb26463044 [0,1,1,0,0,0|0,1,0]=3 3345 B6R0.3 CC(=O)C(S)C#N Amb28202178 [0,1,1,0,0,0|1,0,1]=4 3346 B6R0.3 CC(=O)C([Na])C#N Amb25662498 [0,1,1,0,0,0|1,0,1]=4 3347 B6R0.3 CC(=O)C([Na])CN Amb28423432 [0,1,1,0,0,0|1,0,0]=3 3348 B6R0.3 CC(=O)N(C)CO Amb28191296 [0,1,1,0,0,0|1,1,0]=4 3349 B6R0.3 CC(=O)[C@@H](O)CO Amb24686516 [0,1,1,0,0,0|0,1,0]=3 3350 B6R0.3 CC(=O)[C@H](N)CO Amb27451047 [0,1,1,0,0,0|0,1,0]=3 3351 B6R0.3 CC(C)C(C)CS Amb28069592 [0,1,1,0,0,0|1,0,1]=4 3352 B6R0.3 CC(C)C(N)CS Amb28289530 [0,1,1,0,0,0|1,0,1]=4 3353 B6R0.3 CC(C)C(O)CS Amb27762335 [0,1,1,0,0,0|1,0,1]=4 3354 B6R0.3 CC(CBr)C(=O)O Amb22002601 [0,1,1,0,0,0|2,0,0]=4 3355 B6R0.3 CC(CCl)C(=O)O Amb18522181 [0,1,1,0,0,0|2,0,0]=4 3356 B6R0.3 CC(CF)C(=O)O Amb24432331 [0,1,1,0,0,0|2,0,0]=4 3357 B6R0.3 CC(CN)C(=O)O Amb2699128 [0,1,1,0,0,0|2,0,0]=4 3358 B6R0.3 CC(CN)C(=O)O Amb6773978 [0,1,1,0,0,0|2,0,0]=4 3359 B6R0.3 CC(CN)C(=O)O Amb8631418 [0,1,1,0,0,0|2,0,0]=4 3360 B6R0.3 CC(CN)S(C)=O Amb22157251 [0,1,1,0,0,0|2,0,0]=4 3361 B6R0.3 CC(CO)C(=O)O Amb8011522 [0,1,1,0,0,0|1,1,0]=4 3362 B6R0.3 CC(CS)N(C)C Amb27214907 [0,1,1,0,0,0|2,0,0]=4 3363 B6R0.3 CC(Cl)C(S)CS Amb27473671 [0,1,1,0,0,0|1,0,1]=4 3364 B6R0.3 CC(O)C(C)CS Amb24334206 [0,1,1,0,0,0|0,0,2]=4 3365 B6R0.3 CCC(=O)C(C)=O Amb8514604 [0,1,1,0,0,0|1,0,1]=4 3366 B6R0.3 CCC(Br)C(=O)Br Amb22002455 [0,1,1,0,0,0|2,0,0]=4 3367 B6R0.3 CCC(Br)C(=O)Cl Amb17666758 [0,1,1,0,0,0|2,0,0]=4 3368 B6R0.3 CCC(Br)C(=O)O Amb5716858 [0,1,1,0,0,0|2,0,0]=4 3369 B6R0.3 CCC(Br)C(C)=O Amb24615269 [0,1,1,0,0,0|1,0,0]=3 3370 B6R0.3 CCC(Br)C(N)=O Amb13952819 [0,1,1,0,0,0|2,0,0]=4 3371 B6R0.3 CCC(C)C(=O)Cl Amb3939259 [0,1,1,0,0,0|2,0,0]=4 3372 B6R0.3 CCC(C)C(=O)O Amb9703224 [0,1,1,0,0,0|2,0,0]=4 3373 B6R0.3 CCC(C)C(C)=O Amb4605996 [0,1,1,0,0,0|1,0,0]=3 3374 B6R0.3 CCC(C)C(N)=O Amb33548100 [0,1,1,0,0,0|2,0,0]=4 3375 B6R0.3 CCC(Cl)C(=O)Br Amb28384077 [0,1,1,0,0,0|2,0,0]=4 3376 B6R0.3 CCC(Cl)C(=O)Cl Amb22045230 [0,1,1,0,0,0|2,0,0]=4 3377 B6R0.3 CCC(Cl)C(=O)O Amb4017887 [0,1,1,0,0,0|2,0,0]=4 3378 B6R0.3 CCC(Cl)C(C)=O Amb24078713 [0,1,1,0,0,0|1,0,0]=3 3379 B6R0.3 CCC(Cl)C(N)=O Amb21618713 [0,1,1,0,0,0|2,0,0]=4 3380 B6R0.3 CCC(F)C(=O)O Amb25716167 [0,1,1,0,0,0|2,0,0]=4 3381 B6R0.3 CCC(N)C(=O)Cl Amb17593240 [0,1,1,0,0,0|2,0,0]=4 3382 B6R0.3 CCC(N)C(=O)O Amb9729506 [0,1,1,0,0,0|2,0,0]=4 3383 B6R0.3 CCC(N)C(N)=O Amb1914080 [0,1,1,0,0,0|2,0,0]=4 3384 B6R0.3 CCC(N)C(N)=O Amb33528521 [0,1,1,0,0,0|2,0,0]=4 3385 B6R0.3 CCC(O)C(=O)O Amb6609018 [0,1,1,0,0,0|2,0,0]=4 3386 B6R0.3 CCC(O)C(=O)[O-] Amb17943026 [0,1,1,0,0,0|2,0,0]=4 3387 B6R0.3 CCC(O)C(C)=O Amb25336501 [0,1,1,0,0,0|1,0,0]=3 3388 B6R0.3 CCC(O)C(N)=O Amb24116514 [0,1,1,0,0,0|2,0,0]=4 3389 B6R0.3 CCC(S)C(=O)O Amb17501370 [0,1,1,0,0,0|2,0,0]=4 3390 B6R0.3 CCC(S)C(C)=O Amb8393170 [0,1,1,0,0,0|1,0,0]=3 3391 B6R0.3 CCN(C)C(C)=O Amb22753516 [0,1,1,0,0,0|2,0,0]=4 3392 B6R0.3 CCN(N)C(C)=O Amb18639976 [0,1,1,0,0,0|2,0,0]=4 3393 B6R0.3 CCN(O)C(C)=O Amb27652499 [0,1,1,0,0,0|2,0,0]=4 3394 B6R0.3 CC[C@@H](Br)C(=O)O Amb9785161 [0,1,1,0,0,0|2,0,0]=4 3395 B6R0.3 CC[C@@H](C)C(=O)O Amb8384578 [0,1,1,0,0,0|2,0,0]=4 3396 B6R0.3 CC[C@@H](C)C(C)=O Amb28283799 [0,1,1,0,0,0|1,0,0]=3 3397 B6R0.3 CC[C@@H](Cl)C(=O)Cl Amb27985877 [0,1,1,0,0,0|2,0,0]=4 3398 B6R0.3 CC[C@@H](Cl)C(=O)O Amb22800493 [0,1,1,0,0,0|2,0,0]=4 3399 B6R0.3 CC[C@@H](Cl)C(N)=O Amb24579535 [0,1,1,0,0,0|2,0,0]=4 3400 B6R0.3 CC[C@@H](N)C(=O)O Amb16233349 [0,1,1,0,0,0|2,0,0]=4 3401 B6R0.3 CC[C@@H](N)C(=O)O Amb3940761 [0,1,1,0,0,0|2,0,0]=4 3402 B6R0.3 CC[C@@H](N)C(C)=O Amb35594875 [0,1,1,0,0,0|1,0,0]=3 3403 B6R0.3 CC[C@@H](N)C(N)=O Amb22232290 [0,1,1,0,0,0|2,0,0]=4 3404 B6R0.3 CC[C@@H](N)C(N)=O Amb22899979 [0,1,1,0,0,0|2,0,0]=4 3405 B6R0.3 CC[C@@H](O)C(=O)O Amb22369401 [0,1,1,0,0,0|2,0,0]=4 3406 B6R0.3 CC[C@@H](O)C(N)=O Amb27792606 [0,1,1,0,0,0|2,0,0]=4 3407 B6R0.3 CC[C@H](Br)C(=O)O Amb20242441 [0,1,1,0,0,0|2,0,0]=4 3408 B6R0.3 CC[C@H](C)C(=O)Cl Amb26463969 [0,1,1,0,0,0|2,0,0]=4 3409 B6R0.3 CC[C@H](C)C(=O)O Amb8514667 [0,1,1,0,0,0|2,0,0]=4 3410 B6R0.3 CC[C@H](C)C(N)=O Amb27440802 [0,1,1,0,0,0|2,0,0]=4 3411 B6R0.3 CC[C@H](Cl)C(=O)O Amb25190040 [0,1,1,0,0,0|2,0,0]=4 3412 B6R0.3 CC[C@H](N)C(=O)O Amb2694208 [0,1,1,0,0,0|2,0,0]=4 3413 B6R0.3 CC[C@H](N)C(=O)O Amb8631089 [0,1,1,0,0,0|2,0,0]=4 3414 B6R0.3 CC[C@H](N)C(C)=O Amb29849605 [0,1,1,0,0,0|1,0,0]=3 3415 B6R0.3 CC[C@H](N)C(N)=O Amb8387112 [0,1,1,0,0,0|2,0,0]=4 3416 B6R0.3 CC[C@H](N)C(N)=O Amb8395789 [0,1,1,0,0,0|2,0,0]=4 3417 B6R0.3 CC[C@H](O)C(=O)O Amb4166324 [0,1,1,0,0,0|2,0,0]=4 3418 B6R0.3 CC[C@H](S)C(=O)O Amb9785162 [0,1,1,0,0,0|2,0,0]=4 3419 B6R0.3 CNC(=O)C(C)=O Amb17399787 [0,1,1,0,0,0|1,0,1]=4 3420 B6R0.3 CNC(C)C(=O)O Amb19373699 [0,1,1,0,0,0|2,0,0]=4 3421 B6R0.3 CNC(C)C(=O)O Amb9271766 [0,1,1,0,0,0|2,0,0]=4 3422 B6R0.3 CNC(C)C(C)=O Amb24369529 [0,1,1,0,0,0|1,0,0]=3 3423 B6R0.3 CNC(C)C(N)=O Amb33527202 [0,1,1,0,0,0|2,0,0]=4 3424 B6R0.3 CNC(C)C(N)=O Amb7758120 [0,1,1,0,0,0|2,0,0]=4 3425 B6R0.3 CNC(O)C(=O)O Amb27229907 [0,1,1,0,0,0|2,0,0]=4 3426 B6R0.3 CN[C@@H](C)C(=O)O Amb16233347 [0,1,1,0,0,0|2,0,0]=4 3427 B6R0.3 CN[C@@H](C)C(=O)O Amb16233348 [0,1,1,0,0,0|2,0,0]=4 3428 B6R0.3 CN[C@@H](C)C(N)=O Amb22587575 [0,1,1,0,0,0|2,0,0]=4 3429 B6R0.3 CN[C@@H](C)C(N)=O Amb23385296 [0,1,1,0,0,0|2,0,0]=4 3430 B6R0.3 CN[C@H](C)C(=O)O Amb10844859 [0,1,1,0,0,0|2,0,0]=4 3431 B6R0.3 CN[C@H](C)C(N)=O Amb22586632 [0,1,1,0,0,0|2,0,0]=4 3432 B6R0.3 CN[C@H](C)C(N)=O Amb23385292 [0,1,1,0,0,0|2,0,0]=4 3433 B6R0.3 COC(=O)C(C)=O Amb8513262 [0,1,1,0,0,0|0,1,1]=4 3434 B6R0.3 COC(Br)C(=O)O Amb27439128 [0,1,1,0,0,0|1,1,0]=4 3435 B6R0.3 COC(Br)C(C)=O Amb25360111 [0,1,1,0,0,0|0,1,0]=3 3436 B6R0.3 COC(C)C(=O)Cl Amb26005661 [0,1,1,0,0,0|1,1,0]=4 3437 B6R0.3 COC(C)C(=O)O Amb9729215 [0,1,1,0,0,0|1,1,0]=4 3438 B6R0.3 COC(C)C(C)=O Amb9666021 [0,1,1,0,0,0|0,1,0]=3 3439 B6R0.3 COC(C)C(N)=O Amb6541307 [0,1,1,0,0,0|1,1,0]=4 3440 B6R0.3 COC(Cl)C(=O)O Amb28280799 [0,1,1,0,0,0|1,1,0]=4 3441 B6R0.3 COC(Cl)C(C)=O Amb28118971 [0,1,1,0,0,0|0,1,0]=3 3442 B6R0.3 COC(F)C(=O)O Amb27764863 [0,1,1,0,0,0|1,1,0]=4 3443 B6R0.3 COC(F)C(=O)[O-] Amb33447021 [0,1,1,0,0,0|1,1,0]=4 3444 B6R0.3 COC(O)C(C)=O Amb27954086 [0,1,1,0,0,0|0,1,0]=3 3445 B6R0.3 CON(C)C(C)=O Amb2689133 [0,1,1,0,0,0|1,1,0]=4 3446 B6R0.3 CO[C@@H](C)C(=O)Cl Amb26562182 [0,1,1,0,0,0|1,1,0]=4 3447 B6R0.3 CO[C@@H](C)C(=O)O Amb8515766 [0,1,1,0,0,0|1,1,0]=4 3448 B6R0.3 CO[C@@H](C)C(N)=O Amb8515768 [0,1,1,0,0,0|1,1,0]=4 3449 B6R0.3 CO[C@H](C)C(=O)Cl Amb27588755 [0,1,1,0,0,0|1,1,0]=4 3450 B6R0.3 CO[C@H](C)C(=O)O Amb8515771 [0,1,1,0,0,0|1,1,0]=4 3451 B6R0.3 CO[C@H](C)C(N)=O Amb17617080 [0,1,1,0,0,0|1,1,0]=4 3452 B6R0.3 CSC(=O)C(C)=O Amb27861244 [0,1,1,0,0,0|0,0,1]=3 3453 B6R0.3 CSC(=S)C(N)=O Amb28128369 [0,1,1,0,0,0|1,0,1]=4 3454 B6R0.3 CSC(C)C(=O)O Amb6274567 [0,1,1,0,0,0|1,0,0]=3 3455 B6R0.3 CSC(C)C(C)O Amb33550763 [0,1,1,0,0,0|0,0,2]=4 3456 B6R0.3 CSC(C)C(N)=O Amb28047863 [0,1,1,0,0,0|1,0,0]=3 3457 B6R0.3 CSC(Cl)C(=O)Cl Amb27392297 [0,1,1,0,0,0|1,0,0]=3 3458 B6R0.3 CSC(N)C(=O)O Amb28383509 [0,1,1,0,0,0|1,0,0]=3 3459 B6R0.3 CSC(N)N(C)C Amb28118598 [0,1,1,0,0,0|2,0,0]=4 3460 B6R0.3 CS[C@@H](C)[C@H](C)O Amb27765798 [0,1,1,0,0,0|0,0,2]=4 3461 B6R0.3 CS[C@H](C)C(=O)O Amb26611205 [0,1,1,0,0,0|1,0,0]=3 3462 B6R0.3 C[C@@H](CF)C(=O)O Amb33743265 [0,1,1,0,0,0|2,0,0]=4 3463 B6R0.3 C[C@@H](CI)C(=O)O Amb28322539 [0,1,1,0,0,0|2,0,0]=4 3464 B6R0.3 C[C@@H](CN)C(=O)O Amb22756746 [0,1,1,0,0,0|2,0,0]=4 3465 B6R0.3 C[C@@H](CN)C(=O)O Amb6600138 [0,1,1,0,0,0|2,0,0]=4 3466 B6R0.3 C[C@@H](CO)C(=O)O Amb10844567 [0,1,1,0,0,0|1,1,0]=4 3467 B6R0.3 C[C@@H](CO)C(N)=O Amb27254152 [0,1,1,0,0,0|1,1,0]=4 3468 B6R0.3 C[C@@H](CS)N(C)C Amb26393809 [0,1,1,0,0,0|2,0,0]=4 3469 B6R0.3 C[C@H](CBr)C(=O)O Amb27975404 [0,1,1,0,0,0|2,0,0]=4 3470 B6R0.3 C[C@H](CCl)C(=O)Cl Amb22225324 [0,1,1,0,0,0|2,0,0]=4 3471 B6R0.3 C[C@H](CF)C(=O)O Amb33727262 [0,1,1,0,0,0|2,0,0]=4 3472 B6R0.3 C[C@H](CN)C(=O)O Amb10844022 [0,1,1,0,0,0|2,0,0]=4 3473 B6R0.3 C[C@H](CN)C(=O)O Amb24117452 [0,1,1,0,0,0|2,0,0]=4 3474 B6R0.3 C[C@H](CO)C(=O)O Amb10844554 [0,1,1,0,0,0|1,1,0]=4 3475 B6R0.3 C[C@H](CS)N(C)C Amb25107003 [0,1,1,0,0,0|2,0,0]=4 3476 B6R0.3 C\C=C(/C)C(C)=O Amb2725616 [0,1,1,0,0,0|1,0,1]=4 3477 B6R0.3 C\N=C(/C)C(C)=O Amb27838250 [0,1,1,0,0,0|1,0,1]=4 3478 B6R0.3 NC(=O)C(Br)CBr Amb8390579 [0,1,1,0,0,0|2,0,0]=4 3479 B6R0.3 NC(=O)C(Cl)CCl Amb22228204 [0,1,1,0,0,0|2,0,0]=4 3480 B6R0.3 NC(=O)C(N)CO Amb17593097 [0,1,1,0,0,0|1,1,0]=4 3481 B6R0.3 NC(=O)C(N)CO Amb2720301 [0,1,1,0,0,0|1,1,0]=4 3482 B6R0.3 NC(=O)C(N)CS Amb18641990 [0,1,1,0,0,0|1,0,0]=3 3483 B6R0.3 NC(=O)C(N)CS Amb33330875 [0,1,1,0,0,0|1,0,0]=3 3484 B6R0.3 NC(=O)C(O)CO Amb27169520 [0,1,1,0,0,0|1,1,0]=4 3485 B6R0.3 NC(=O)[C@@H](N)CO Amb6336612 [0,1,1,0,0,0|1,1,0]=4 3486 B6R0.3 NC(=O)[C@@H](N)CO Amb8387630 [0,1,1,0,0,0|1,1,0]=4 3487 B6R0.3 NC(=O)[C@@H](N)CS Amb23437751 [0,1,1,0,0,0|1,0,0]=3 3488 B6R0.3 NC(=O)[C@@H](O)CO Amb27816733 [0,1,1,0,0,0|1,1,0]=4 3489 B6R0.3 NC(=O)[C@H](N)CO Amb22886957 [0,1,1,0,0,0|1,1,0]=4 3490 B6R0.3 NC(=O)[C@H](N)CO Amb26505098 [0,1,1,0,0,0|1,1,0]=4 3491 B6R0.3 NC(CCl)C(=O)O Amb19651457 [0,1,1,0,0,0|2,0,0]=4 3492 B6R0.3 NC(CCl)C(=O)O Amb21961077 [0,1,1,0,0,0|2,0,0]=4 3493 B6R0.3 NC(CF)C(=O)O Amb10839589 [0,1,1,0,0,0|2,0,0]=4 3494 B6R0.3 NC(CO)C(=O)O Amb9702805 [0,1,1,0,0,0|1,1,0]=4 3495 B6R0.3 NC(CP)C(=O)O Amb27234251 [0,1,1,0,0,0|2,0,0]=4 3496 B6R0.3 NC(CS)C(=O)Cl Amb28050358 [0,1,1,0,0,0|1,0,0]=3 3497 B6R0.3 NC(CS)C(=O)O Amb13961966 [0,1,1,0,0,0|1,0,0]=3 3498 B6R0.3 NC(CS)C(=O)O Amb22489523 [0,1,1,0,0,0|1,0,0]=3 3499 B6R0.3 NC(CS)C(=O)O Amb6537913 [0,1,1,0,0,0|1,0,0]=3 3500 B6R0.3 NC(CS)C(=O)O Amb6537914 [0,1,1,0,0,0|1,0,0]=3 3501 B6R0.3 NC(CS)C(=O)S Amb27838279 [0,1,1,0,0,0|1,0,0]=3 3502 B6R0.3 NC(CS)S(=O)O Amb27238568 [0,1,1,0,0,0|2,0,0]=4 3503 B6R0.3 NC(C[NH3+])C(=O)O Amb4004471 [0,1,1,0,0,0|2,0,0]=4 3504 B6R0.3 NCC(Br)C(=O)O Amb28385732 [0,1,1,0,0,0|2,0,0]=4 3505 B6R0.3 NCC(Cl)C(=O)O Amb17593263 [0,1,1,0,0,0|2,0,0]=4 3506 B6R0.3 NCC(F)C(=O)O Amb22733051 [0,1,1,0,0,0|2,0,0]=4 3507 B6R0.3 NCC(F)C(=O)O Amb2688010 [0,1,1,0,0,0|2,0,0]=4 3508 B6R0.3 NCC(F)C(N)=O Amb26984913 [0,1,1,0,0,0|2,0,0]=4 3509 B6R0.3 NCC(F)C(N)=O Amb32667436 [0,1,1,0,0,0|2,0,0]=4 3510 B6R0.3 NCC(N)C(=O)O Amb22899095 [0,1,1,0,0,0|2,0,0]=4 3511 B6R0.3 NCC(N)C(=O)O Amb2697095 [0,1,1,0,0,0|2,0,0]=4 3512 B6R0.3 NCC(N)C(=O)O Amb8514284 [0,1,1,0,0,0|2,0,0]=4 3513 B6R0.3 NCC(O)C(=O)O Amb8517492 [0,1,1,0,0,0|2,0,0]=4 3514 B6R0.3 NCC(O)C(N)=O Amb27164291 [0,1,1,0,0,0|2,0,0]=4 3515 B6R0.3 NCC(O)C(N)=O Amb28827639 [0,1,1,0,0,0|2,0,0]=4 3516 B6R0.3 NCC(S)C(=O)O Amb17593238 [0,1,1,0,0,0|2,0,0]=4 3517 B6R0.3 NC[C@@H](F)C(=O)O Amb25824168 [0,1,1,0,0,0|2,0,0]=4 3518 B6R0.3 NC[C@@H](F)C(=O)O Amb31291438 [0,1,1,0,0,0|2,0,0]=4 3519 B6R0.3 NC[C@@H](N)C(=O)O Amb22745957 [0,1,1,0,0,0|2,0,0]=4 3520 B6R0.3 NC[C@@H](N)C(=O)O Amb8515776 [0,1,1,0,0,0|2,0,0]=4 3521 B6R0.3 NC[C@@H](N)C(N)=O Amb27981260 [0,1,1,0,0,0|2,0,0]=4 3522 B6R0.3 NC[C@@H](O)C(=O)O Amb22169412 [0,1,1,0,0,0|2,0,0]=4 3523 B6R0.3 NC[C@@H](O)C(N)=O Amb28282144 [0,1,1,0,0,0|2,0,0]=4 3524 B6R0.3 NC[C@H](F)C(=O)O Amb27254153 [0,1,1,0,0,0|2,0,0]=4 3525 B6R0.3 NC[C@H](F)C(=O)O Amb31291433 [0,1,1,0,0,0|2,0,0]=4 3526 B6R0.3 NC[C@H](N)C(=O)O Amb16183820 [0,1,1,0,0,0|2,0,0]=4 3527 B6R0.3 NC[C@H](N)C(=O)O Amb33842544 [0,1,1,0,0,0|2,0,0]=4 3528 B6R0.3 NC[C@H](N)C(=O)O Amb8515775 [0,1,1,0,0,0|2,0,0]=4 3529 B6R0.3 NC[C@H](O)C(=O)O Amb4166313 [0,1,1,0,0,0|2,0,0]=4 3530 B6R0.3 NC[C@H](O)C(N)=O Amb32645211 [0,1,1,0,0,0|2,0,0]=4 3531 B6R0.3 N[C@@H](CBr)C(=O)O Amb27188433 [0,1,1,0,0,0|2,0,0]=4 3532 B6R0.3 N[C@@H](CCl)C(=O)O Amb22232860 [0,1,1,0,0,0|2,0,0]=4 3533 B6R0.3 N[C@@H](CCl)C(=O)O Amb8515277 [0,1,1,0,0,0|2,0,0]=4 3534 B6R0.3 N[C@@H](CO)C(=O)O Amb22351170 [0,1,1,0,0,0|1,1,0]=4 3535 B6R0.3 N[C@@H](CO)C(=O)O Amb8387621 [0,1,1,0,0,0|1,1,0]=4 3536 B6R0.3 N[C@@H](CS)C(=O)O Amb3940755 [0,1,1,0,0,0|1,0,0]=3 3537 B6R0.3 N[C@@H](CS)C(=O)O Amb8385453 [0,1,1,0,0,0|1,0,0]=3 3538 B6R0.3 N[C@@H](CS)C(=O)O Amb9826090 [0,1,1,0,0,0|1,0,0]=3 3539 B6R0.3 N[C@@H](CS)S(=O)O Amb27391675 [0,1,1,0,0,0|2,0,0]=4 3540 B6R0.3 N[C@@H](C[SeH])C(=O)O Amb31031035 [0,1,1,0,0,0|1,1,0]=4 3541 B6R0.3 N[C@H](CCl)C(=O)Cl Amb28143184 [0,1,1,0,0,0|2,0,0]=4 3542 B6R0.3 N[C@H](CCl)C(=O)O Amb2699111 [0,1,1,0,0,0|2,0,0]=4 3543 B6R0.3 N[C@H](CCl)C(=O)O Amb9813688 [0,1,1,0,0,0|2,0,0]=4 3544 B6R0.3 N[C@H](CO)C(=O)Cl Amb28058341 [0,1,1,0,0,0|1,1,0]=4 3545 B6R0.3 N[C@H](CO)C(=O)O Amb2690463 [0,1,1,0,0,0|1,1,0]=4 3546 B6R0.3 N[C@H](CS)C(=O)Cl Amb27166396 [0,1,1,0,0,0|1,0,0]=3 3547 B6R0.3 N[C@H](CS)C(=O)O Amb17942912 [0,1,1,0,0,0|1,0,0]=3 3548 B6R0.3 N[C@H](CS)C(=O)O Amb8394603 [0,1,1,0,0,0|1,0,0]=3 3549 B6R0.3 N[C@H](CS)C(=O)O Amb8628479 [0,1,1,0,0,0|1,0,0]=3 3550 B6R0.3 O=C(Cl)C(Br)CBr Amb3940235 [0,1,1,0,0,0|2,0,0]=4 3551 B6R0.3 O=C(Cl)C(Br)CCl Amb28198806 [0,1,1,0,0,0|2,0,0]=4 3552 B6R0.3 O=C(Cl)C(Br)CF Amb28129447 [0,1,1,0,0,0|2,0,0]=4 3553 B6R0.3 O=C(Cl)C(Cl)CCl Amb3940236 [0,1,1,0,0,0|2,0,0]=4 3554 B6R0.3 O=C(O)C(=O)CS Amb6600041 [0,1,1,0,0,0|1,0,1]=4 3555 B6R0.3 O=C(O)C(Br)CBr Amb8513574 [0,1,1,0,0,0|2,0,0]=4 3556 B6R0.3 O=C(O)C(Br)CF Amb10605519 [0,1,1,0,0,0|2,0,0]=4 3557 B6R0.3 O=C(O)C(Br)CO Amb18126327 [0,1,1,0,0,0|1,1,0]=4 3558 B6R0.3 O=C(O)C(Cl)CCl Amb22228245 [0,1,1,0,0,0|2,0,0]=4 3559 B6R0.3 O=C(O)C(Cl)CO Amb18124304 [0,1,1,0,0,0|1,1,0]=4 3560 B6R0.3 O=C(O)C(Cl)CS Amb18643661 [0,1,1,0,0,0|1,0,0]=3 3561 B6R0.3 O=C(O)C(F)CO Amb17593117 [0,1,1,0,0,0|1,1,0]=4 3562 B6R0.3 O=C(O)C(O)CBr Amb24061932 [0,1,1,0,0,0|2,0,0]=4 3563 B6R0.3 O=C(O)C(O)CCl Amb6371692 [0,1,1,0,0,0|2,0,0]=4 3564 B6R0.3 O=C(O)C(O)CF Amb27476477 [0,1,1,0,0,0|2,0,0]=4 3565 B6R0.3 O=C(O)C(O)CO Amb17593103 [0,1,1,0,0,0|1,1,0]=4 3566 B6R0.3 O=C(O)C(O)CS Amb18642053 [0,1,1,0,0,0|1,0,0]=3 3567 B6R0.3 O=C(O)C(S)CS Amb18643295 [0,1,1,0,0,0|1,0,0]=3 3568 B6R0.3 O=C(O)[C@@H](Br)CO Amb10601700 [0,1,1,0,0,0|1,1,0]=4 3569 B6R0.3 O=C(O)[C@@H](Cl)CO Amb27968485 [0,1,1,0,0,0|1,1,0]=4 3570 B6R0.3 O=C(O)[C@@H](O)CBr Amb27858794 [0,1,1,0,0,0|2,0,0]=4 3571 B6R0.3 O=C(O)[C@@H](O)CCl Amb22225325 [0,1,1,0,0,0|2,0,0]=4 3572 B6R0.3 O=C(O)[C@@H](O)CF Amb24117272 [0,1,1,0,0,0|2,0,0]=4 3573 B6R0.3 O=C(O)[C@@H](O)CO Amb22226732 [0,1,1,0,0,0|1,1,0]=4 3574 B6R0.3 O=C(O)[C@H](Cl)CO Amb27759746 [0,1,1,0,0,0|1,1,0]=4 3575 B6R0.3 O=C(O)[C@H](O)CBr Amb28137021 [0,1,1,0,0,0|2,0,0]=4 3576 B6R0.3 O=C(O)[C@H](O)CF Amb27467272 [0,1,1,0,0,0|2,0,0]=4 3577 B6R0.3 O=C(O)[C@H](O)CO Amb4166319 [0,1,1,0,0,0|1,1,0]=4 3578 B6R0.3 O=C([O-])C(=O)CS Amb22547761 [0,1,1,0,0,0|1,0,1]=4 3579 B6R0.3 O=C([O-])C(=O)CS Amb9825929 [0,1,1,0,0,0|1,0,1]=4 3580 B6R0.4 C#CCCC(=C)C Amb18634222 [0,1,1,0,0,0|2,0,0]=4 3581 B6R0.4 C#CCCC(=O)Cl Amb26949181 [0,1,1,0,0,0|2,0,0]=4 3582 B6R0.4 C#CCCC(=O)O Amb33532622 [0,1,1,0,0,0|2,0,0]=4 3583 B6R0.4 C#CCCC(=O)[O-] Amb22232009 [0,1,1,0,0,0|2,0,0]=4 3584 B6R0.4 C#CCCC(C)=O Amb8869638 [0,1,1,0,0,0|1,0,0]=3 3585 B6R0.4 C#CCNC(C)=O Amb20623038 [0,1,1,0,0,0|1,0,1]=4 3586 B6R0.4 C#CCOC(C)=O Amb8517415 [0,1,1,0,0,0|1,0,1]=4 3587 B6R0.4 C#CCSC(C)=O Amb32683409 [0,1,1,0,0,0|1,0,1]=4 3588 B6R0.4 C=C(Br)CSCC Amb28063803 [0,1,1,0,0,0|1,0,1]=4 3589 B6R0.4 C=C(C)CCC#N Amb2778548 [0,1,1,0,0,0|2,0,0]=4 3590 B6R0.4 C=C(C)CCCBr Amb22886717 [0,1,1,0,0,0|2,0,0]=4 3591 B6R0.4 C=C(C)CCCC Amb2721685 [0,1,1,0,0,0|2,0,0]=4 3592 B6R0.4 C=C(C)CCCCl Amb24089299 [0,1,1,0,0,0|2,0,0]=4 3593 B6R0.4 C=C(C)CCCN Amb24761452 [0,1,1,0,0,0|2,0,0]=4 3594 B6R0.4 C=C(C)CCCN Amb33534233 [0,1,1,0,0,0|2,0,0]=4 3595 B6R0.4 C=C(C)CCCO Amb22886814 [0,1,1,0,0,0|1,1,0]=4 3596 B6R0.4 C=C(C)CCCS Amb33198962 [0,1,1,0,0,0|1,0,0]=3 3597 B6R0.4 C=C(C)CCNC Amb18993045 [0,1,1,0,0,0|2,0,0]=4 3598 B6R0.4 C=C(C)CCOC Amb33546340 [0,1,1,0,0,0|1,1,0]=4 3599 B6R0.4 C=C(C)CCON Amb25862621 [0,1,1,0,0,0|1,1,0]=4 3600 B6R0.4 C=C(C)CCSC Amb28400079 [0,1,1,0,0,0|1,0,0]=3 3601 B6R0.4 C=C(C)CNCC Amb3940049 [0,1,1,0,0,0|2,0,0]=4 3602 B6R0.4 C=C(C)COCCl Amb27424965 [0,1,1,0,0,0|1,1,0]=4 3603 B6R0.4 C=C(Cl)CSCC Amb27972493 [0,1,1,0,0,0|1,0,1]=4 3604 B6R0.4 C=CCCC(=C)C Amb22228883 [0,1,1,0,0,0|2,0,0]=4 3605 B6R0.4 C=CCCC(=O)Cl Amb3939003 [0,1,1,0,0,0|2,0,0]=4 3606 B6R0.4 C=CCCC(=O)O Amb3940112 [0,1,1,0,0,0|2,0,0]=4 3607 B6R0.4 C=CCCC(C)=O Amb2721704 [0,1,1,0,0,0|1,0,0]=3 3608 B6R0.4 C=CCCC(N)=O Amb28136349 [0,1,1,0,0,0|2,0,0]=4 3609 B6R0.4 C=CCNC(C)=O Amb5797445 [0,1,1,0,0,0|1,0,1]=4 3610 B6R0.4 C=COCC(C)=O Amb27838258 [0,1,1,0,0,0|0,1,1]=4 3611 B6R0.4 CC#CCC(=O)O Amb17939740 [0,1,1,0,0,0|2,0,0]=4 3612 B6R0.4 CC#CCC(C)=O Amb27648528 [0,1,1,0,0,0|1,0,0]=3 3613 B6R0.4 CC(=N)NCCF Amb28123831 [0,1,1,0,0,0|2,0,0]=4 3614 B6R0.4 CC(=O)CC#CO Amb27463647 [0,1,1,0,0,0|0,1,1]=4 3615 B6R0.4 CC(=O)CCC#N Amb17334046 [0,1,1,0,0,0|1,0,0]=3 3616 B6R0.4 CC(=O)CCC=O Amb18639597 [0,1,1,0,0,0|0,1,0]=3 3617 B6R0.4 CC(=O)CCCBr Amb8394105 [0,1,1,0,0,0|1,0,0]=3 3618 B6R0.4 CC(=O)CCCCl Amb3940272 [0,1,1,0,0,0|1,0,0]=3 3619 B6R0.4 CC(=O)CCCF Amb25068187 [0,1,1,0,0,0|1,0,0]=3 3620 B6R0.4 CC(=O)CCCN Amb18121547 [0,1,1,0,0,0|1,0,0]=3 3621 B6R0.4 CC(=O)CCCN Amb32661221 [0,1,1,0,0,0|1,0,0]=3 3622 B6R0.4 CC(=O)CCCN Amb32661286 [0,1,1,0,0,0|1,0,0]=3 3623 B6R0.4 CC(=O)CCCO Amb3940340 [0,1,1,0,0,0|0,1,0]=3 3624 B6R0.4 CC(=O)CN=C=S Amb27490781 [0,1,1,0,0,0|0,0,2]=4 3625 B6R0.4 CC(=O)CN=[N+]=[N-] Amb18114476 [0,1,1,0,0,0|2,0,0]=4 3626 B6R0.4 CC(=O)CSC#N Amb9788383 [0,1,1,0,0,0|0,0,1]=3 3627 B6R0.4 CC(=O)C\C=N\O Amb27750272 [0,1,1,0,0,0|0,1,1]=4 3628 B6R0.4 CC(=O)NCC#N Amb3886527 [0,1,1,0,0,0|1,0,1]=4 3629 B6R0.4 CC(=O)NCC=O Amb25757509 [0,1,1,0,0,0|0,1,1]=4 3630 B6R0.4 CC(=O)NCCBr Amb4311522 [0,1,1,0,0,0|1,0,0]=3 3631 B6R0.4 CC(=O)NCCCl Amb423758 [0,1,1,0,0,0|1,0,0]=3 3632 B6R0.4 CC(=O)NCCN Amb1218225 [0,1,1,0,0,0|1,0,0]=3 3633 B6R0.4 CC(=O)NCCO Amb2720909 [0,1,1,0,0,0|0,1,0]=3 3634 B6R0.4 CC(=O)NCCS Amb22230992 [0,1,1,0,0,0|0,0,0]=2 3635 B6R0.4 CC(=O)N\C=C/S Amb27246451 [0,1,1,0,0,0|0,0,2]=4 3636 B6R0.4 CC(=O)OCC#N Amb9677308 [0,1,1,0,0,0|1,0,1]=4 3637 B6R0.4 CC(=O)OCCBr Amb3940209 [0,1,1,0,0,0|1,0,0]=3 3638 B6R0.4 CC(=O)OCCN Amb18121947 [0,1,1,0,0,0|1,0,0]=3 3639 B6R0.4 CC(=O)OCCN Amb28827650 [0,1,1,0,0,0|1,0,0]=3 3640 B6R0.4 CC(=O)OCCO Amb3941004 [0,1,1,0,0,0|0,1,0]=3 3641 B6R0.4 CC(=O)SCC=O Amb27873378 [0,1,1,0,0,0|0,1,1]=4 3642 B6R0.4 CC(=O)SCCBr Amb24608039 [0,1,1,0,0,0|1,0,0]=3 3643 B6R0.4 CC(=O)SCCN Amb21953963 [0,1,1,0,0,0|1,0,0]=3 3644 B6R0.4 CC(=O)SCCN Amb22011516 [0,1,1,0,0,0|1,0,0]=3 3645 B6R0.4 CC(=O)SCCN Amb31291049 [0,1,1,0,0,0|1,0,0]=3 3646 B6R0.4 CC(=O)SCCO Amb27481182 [0,1,1,0,0,0|0,1,0]=3 3647 B6R0.4 CC(=O)\C=C\CCl Amb25378305 [0,1,1,0,0,0|1,0,1]=4 3648 B6R0.4 CC(=O)\C=C\CF Amb33379250 [0,1,1,0,0,0|1,0,1]=4 3649 B6R0.4 CC(=S)SCCCl Amb27952185 [0,1,1,0,0,0|1,1,0]=4 3650 B6R0.4 CC(=S)SCCO Amb28350218 [0,1,1,0,0,0|0,2,0]=4 3651 B6R0.4 CC(C)=CCCBr Amb3941652 [0,1,1,0,0,0|2,0,0]=4 3652 B6R0.4 CC(C)=CCCCl Amb27865707 [0,1,1,0,0,0|2,0,0]=4 3653 B6R0.4 CC(C)=CCCI Amb22395000 [0,1,1,0,0,0|2,0,0]=4 3654 B6R0.4 CC(C)=CCCN Amb18962494 [0,1,1,0,0,0|2,0,0]=4 3655 B6R0.4 CC(C)=CCCO Amb22002283 [0,1,1,0,0,0|1,1,0]=4 3656 B6R0.4 CC(C)=CCCS Amb35588788 [0,1,1,0,0,0|1,0,0]=3 3657 B6R0.4 CC(C)=NCCO Amb27612560 [0,1,1,0,0,0|1,1,0]=4 3658 B6R0.4 CC(C)CCCS Amb26425936 [0,1,1,0,0,0|1,0,1]=4 3659 B6R0.4 CC(C)CSCCl Amb28347319 [0,1,1,0,0,0|1,0,1]=4 3660 B6R0.4 CC(C)OCCS Amb25107566 [0,1,1,0,0,0|1,0,1]=4 3661 B6R0.4 CC(C)SCCS Amb27226092 [0,1,1,0,0,0|1,0,1]=4 3662 B6R0.4 CC(O)OCCS Amb25313392 [0,1,1,0,0,0|0,0,2]=4 3663 B6R0.4 CCC#CC(C)=O Amb2721702 [0,1,1,0,0,0|1,0,1]=4 3664 B6R0.4 CCCC=C(C)C Amb4035860 [0,1,1,0,0,0|2,0,0]=4 3665 B6R0.4 CCCCC(=O)Cl Amb3939066 [0,1,1,0,0,0|2,0,0]=4 3666 B6R0.4 CCCCC(=O)O Amb3939877 [0,1,1,0,0,0|2,0,0]=4 3667 B6R0.4 CCCCC(=O)[O-] Amb22056343 [0,1,1,0,0,0|2,0,0]=4 3668 B6R0.4 CCCCC(C)=O Amb6608652 [0,1,1,0,0,0|1,0,0]=3 3669 B6R0.4 CCCCC(N)=O Amb6891958 [0,1,1,0,0,0|2,0,0]=4 3670 B6R0.4 CCCNC(=O)Cl Amb25688616 [0,1,1,0,0,0|2,0,0]=4 3671 B6R0.4 CCCNC(C)=O Amb5835710 [0,1,1,0,0,0|1,0,0]=3 3672 B6R0.4 CCCNC(N)=O Amb1152241 [0,1,1,0,0,0|2,0,0]=4 3673 B6R0.4 CCCOC(=O)Cl Amb10604123 [0,1,1,0,0,0|2,0,0]=4 3674 B6R0.4 CCCOC(=O)F Amb32667886 [0,1,1,0,0,0|2,0,0]=4 3675 B6R0.4 CCCOC(N)=O Amb6334809 [0,1,1,0,0,0|2,0,0]=4 3676 B6R0.4 CCCSC(C)=O Amb22043301 [0,1,1,0,0,0|1,0,0]=3 3677 B6R0.4 CCCSC(N)=O Amb27167907 [0,1,1,0,0,0|2,0,0]=4 3678 B6R0.4 CCNCC(=O)Cl Amb27948279 [0,1,1,0,0,0|2,0,0]=4 3679 B6R0.4 CCNCC(=O)O Amb10609667 [0,1,1,0,0,0|2,0,0]=4 3680 B6R0.4 CCNCC(=O)O Amb7764661 [0,1,1,0,0,0|2,0,0]=4 3681 B6R0.4 CCNCC(C)=O Amb24545893 [0,1,1,0,0,0|1,0,0]=3 3682 B6R0.4 CCNCC(C)=O Amb32661185 [0,1,1,0,0,0|1,0,0]=3 3683 B6R0.4 CCNCC(N)=O Amb1128676 [0,1,1,0,0,0|2,0,0]=4 3684 B6R0.4 CCNCC(N)=O Amb4035424 [0,1,1,0,0,0|2,0,0]=4 3685 B6R0.4 CCOCC(=O)Cl Amb33528415 [0,1,1,0,0,0|1,1,0]=4 3686 B6R0.4 CCOCC(=O)O Amb3939880 [0,1,1,0,0,0|1,1,0]=4 3687 B6R0.4 CCOCC(=O)S Amb27813482 [0,1,1,0,0,0|1,1,0]=4 3688 B6R0.4 CCOCC(C)=O Amb9666086 [0,1,1,0,0,0|0,1,0]=3 3689 B6R0.4 CCONC(C)=O Amb22230675 [0,1,1,0,0,0|1,1,0]=4 3690 B6R0.4 CCPCC(=O)O Amb28321137 [0,1,1,0,0,0|2,0,0]=4 3691 B6R0.4 CCSCC(=N)N Amb6680834 [0,1,1,0,0,0|2,0,0]=4 3692 B6R0.4 CCSCC(=O)O Amb1125185 [0,1,1,0,0,0|1,0,0]=3 3693 B6R0.4 CCSCC(C)=O Amb4018179 [0,1,1,0,0,0|0,0,0]=2 3694 B6R0.4 CCSCC(C)C Amb22230686 [0,1,1,0,0,0|1,0,1]=4 3695 B6R0.4 CCSCC(C)Cl Amb28050300 [0,1,1,0,0,0|1,0,1]=4 3696 B6R0.4 CCSCC(C)N Amb19149261 [0,1,1,0,0,0|1,0,1]=4 3697 B6R0.4 CCSCC(C)S Amb32788341 [0,1,1,0,0,0|0,1,1]=4 3698 B6R0.4 CCSCC(N)=S Amb27188472 [0,1,1,0,0,0|1,1,0]=4 3699 B6R0.4 CCSC[C@@H](C)N Amb26396040 [0,1,1,0,0,0|1,0,1]=4 3700 B6R0.4 CCSC[C@@H](C)O Amb26059442 [0,1,1,0,0,0|0,0,2]=4 3701 B6R0.4 CCSC[C@H](C)N Amb26058583 [0,1,1,0,0,0|1,0,1]=4 3702 B6R0.4 CCSC[C@H](C)O Amb25220206 [0,1,1,0,0,0|0,0,2]=4 3703 B6R0.4 CC\C=C/C(C)=O Amb27835645 [0,1,1,0,0,0|1,0,1]=4 3704 B6R0.4 CC\C=C\C(C)=O Amb26022886 [0,1,1,0,0,0|1,0,1]=4 3705 B6R0.4 CC\N=C\C(C)=O Amb27854982 [0,1,1,0,0,0|1,0,1]=4 3706 B6R0.4 CN(C)CCCS Amb24078629 [0,1,1,0,0,0|2,0,0]=4 3707 B6R0.4 CN(C)CCCS Amb27974610 [0,1,1,0,0,0|2,0,0]=4 3708 B6R0.4 CNCCC(=O)Cl Amb27422890 [0,1,1,0,0,0|2,0,0]=4 3709 B6R0.4 CNCCC(=O)O Amb10609760 [0,1,1,0,0,0|2,0,0]=4 3710 B6R0.4 CNCCC(=O)O Amb7766400 [0,1,1,0,0,0|2,0,0]=4 3711 B6R0.4 CNCCC(C)=O Amb24560306 [0,1,1,0,0,0|1,0,0]=3 3712 B6R0.4 CNCCC(C)=O Amb28827637 [0,1,1,0,0,0|1,0,0]=3 3713 B6R0.4 CNCCC(N)=O Amb19959913 [0,1,1,0,0,0|2,0,0]=4 3714 B6R0.4 CNCCC(N)=O Amb33538309 [0,1,1,0,0,0|2,0,0]=4 3715 B6R0.4 CNCCS(C)=O Amb21984676 [0,1,1,0,0,0|2,0,0]=4 3716 B6R0.4 CN\C=C\C(C)=O Amb17593076 [0,1,1,0,0,0|1,0,1]=4 3717 B6R0.4 COCCC(=O)Cl Amb2689274 [0,1,1,0,0,0|1,1,0]=4 3718 B6R0.4 COCCC(=O)O Amb3938990 [0,1,1,0,0,0|1,1,0]=4 3719 B6R0.4 COCCC(C)=O Amb7764907 [0,1,1,0,0,0|0,1,0]=3 3720 B6R0.4 COCCC(N)=O Amb33538943 [0,1,1,0,0,0|1,1,0]=4 3721 B6R0.4 COCNC(N)=O Amb25744350 [0,1,1,0,0,0|1,1,0]=4 3722 B6R0.4 CONCC(N)=O Amb28455463 [0,1,1,0,0,0|1,1,0]=4 3723 B6R0.4 CO\C=C/C(C)=O Amb27264758 [0,1,1,0,0,0|0,1,1]=4 3724 B6R0.4 CO\C=C\C(C)=O Amb8385700 [0,1,1,0,0,0|0,1,1]=4 3725 B6R0.4 CS(=O)CCCN Amb18974527 [0,1,1,0,0,0|2,0,0]=4 3726 B6R0.4 CS(=O)CCCN Amb32684177 [0,1,1,0,0,0|2,0,0]=4 3727 B6R0.4 CS(=O)NCCN Amb25888549 [0,1,1,0,0,0|2,0,0]=4 3728 B6R0.4 CS(=O)OCCCl Amb27471823 [0,1,1,0,0,0|2,0,0]=4 3729 B6R0.4 CSC#CC(=O)O Amb33309663 [0,1,1,0,0,0|1,0,1]=4 3730 B6R0.4 CSCC=C(C)C Amb27594692 [0,1,1,0,0,0|1,0,0]=3 3731 B6R0.4 CSCCC(=N)N Amb19373501 [0,1,1,0,0,0|2,0,0]=4 3732 B6R0.4 CSCCC(=N)N Amb19516878 [0,1,1,0,0,0|2,0,0]=4 3733 B6R0.4 CSCCC(=O)O Amb3939879 [0,1,1,0,0,0|1,0,0]=3 3734 B6R0.4 CSCCC(C)=O Amb8392858 [0,1,1,0,0,0|0,0,0]=2 3735 B6R0.4 CSCCC(C)Br Amb33007127 [0,1,1,0,0,0|1,0,1]=4 3736 B6R0.4 CSCCC(C)C Amb4016370 [0,1,1,0,0,0|1,0,1]=4 3737 B6R0.4 CSCCC(C)N Amb19515505 [0,1,1,0,0,0|1,0,1]=4 3738 B6R0.4 CSCCC(C)O Amb27860401 [0,1,1,0,0,0|0,0,2]=4 3739 B6R0.4 CSCCC(N)=S Amb17307559 [0,1,1,0,0,0|1,1,0]=4 3740 B6R0.4 CSCCN(=O)=O Amb24179458 [0,1,1,0,0,0|2,0,0]=4 3741 B6R0.4 CSCCN(C)O Amb33272058 [0,1,1,0,0,0|1,0,1]=4 3742 B6R0.4 CSCC[C@@H](C)N Amb33200180 [0,1,1,0,0,0|1,0,1]=4 3743 B6R0.4 CSCC[C@@H](C)O Amb33198759 [0,1,1,0,0,0|0,0,2]=4 3744 B6R0.4 CSCC[C@H](C)N Amb33200178 [0,1,1,0,0,0|1,0,1]=4 3745 B6R0.4 CSCC[C@H](C)O Amb33198747 [0,1,1,0,0,0|0,0,2]=4 3746 B6R0.4 CSCSC(C)=O Amb27876851 [0,1,1,0,0,0|0,0,0]=2 3747 B6R0.4 CSSCC(=O)O Amb25378801 [0,1,1,0,0,0|1,0,0]=3 3748 B6R0.4 CSSCC(C)N Amb27480762 [0,1,1,0,0,0|1,0,1]=4 3749 B6R0.4 CS\C=C/C(C)=O Amb27471812 [0,1,1,0,0,0|0,0,1]=3 3750 B6R0.4 CS\C=C\C(=O)O Amb30584688 [0,1,1,0,0,0|1,0,1]=4 3751 B6R0.4 C[PH](=O)OCCCl Amb28340992 [0,1,1,0,0,0|2,0,0]=4 3752 B6R0.4 C\C(Br)=C\CCCl Amb28054738 [0,1,1,0,0,0|2,0,0]=4 3753 B6R0.4 C\C(Br)=C\CCN Amb28060834 [0,1,1,0,0,0|2,0,0]=4 3754 B6R0.4 C\C(Cl)=C\CCCl Amb27786934 [0,1,1,0,0,0|2,0,0]=4 3755 B6R0.4 C\C(Cl)=C\CCO Amb27956430 [0,1,1,0,0,0|1,1,0]=4 3756 B6R0.4 C\C(N)=N\CCO Amb26857579 [0,1,1,0,0,0|1,1,0]=4 3757 B6R0.4 C\C=C\CC(=O)O Amb3941538 [0,1,1,0,0,0|2,0,0]=4 3758 B6R0.4 C\C=C\CC(N)=O Amb26589975 [0,1,1,0,0,0|2,0,0]=4 3759 B6R0.4 C\N=C\CC(C)=O Amb28202181 [0,1,1,0,0,0|1,0,0]=3 3760 B6R0.4 N#CCCC(=O)Cl Amb25106570 [0,1,1,0,0,0|2,0,0]=4 3761 B6R0.4 N#CCCC(=O)O Amb2694975 [0,1,1,0,0,0|2,0,0]=4 3762 B6R0.4 N#CCCC(N)=O Amb8841150 [0,1,1,0,0,0|2,0,0]=4 3763 B6R0.4 NC(=O)CCCCl Amb1138237 [0,1,1,0,0,0|2,0,0]=4 3764 B6R0.4 NC(=O)CCCF Amb28073400 [0,1,1,0,0,0|2,0,0]=4 3765 B6R0.4 NC(=O)CCCO Amb20623438 [0,1,1,0,0,0|1,1,0]=4 3766 B6R0.4 NC(=O)CCCS Amb27174778 [0,1,1,0,0,0|1,0,0]=3 3767 B6R0.4 NC(=O)NCCBr Amb28385599 [0,1,1,0,0,0|2,0,0]=4 3768 B6R0.4 NC(=O)NCCF Amb27446994 [0,1,1,0,0,0|2,0,0]=4 3769 B6R0.4 NC(=O)NCCI Amb27454955 [0,1,1,0,0,0|2,0,0]=4 3770 B6R0.4 NC(=O)NCCO Amb1146041 [0,1,1,0,0,0|1,1,0]=4 3771 B6R0.4 NC(=O)OCCCl Amb3940645 [0,1,1,0,0,0|2,0,0]=4 3772 B6R0.4 NC(=O)OCCO Amb20623788 [0,1,1,0,0,0|1,1,0]=4 3773 B6R0.4 NC(=O)SCCCl Amb27619850 [0,1,1,0,0,0|2,0,0]=4 3774 B6R0.4 NC(=S)NCCS Amb19374848 [0,1,1,0,0,0|1,1,0]=4 3775 B6R0.4 NC(N)=NCCS Amb25127300 [0,1,1,0,0,0|2,0,0]=4 3776 B6R0.4 NCCCC(=O)Cl Amb1935063 [0,1,1,0,0,0|2,0,0]=4 3777 B6R0.4 NCCCC(=O)O Amb1935210 [0,1,1,0,0,0|2,0,0]=4 3778 B6R0.4 NCCCC(N)=O Amb2099583 [0,1,1,0,0,0|2,0,0]=4 3779 B6R0.4 NCCCC(N)=O Amb6543438 [0,1,1,0,0,0|2,0,0]=4 3780 B6R0.4 NCCNC(N)=O Amb19374121 [0,1,1,0,0,0|2,0,0]=4 3781 B6R0.4 NCCNC(N)=O Amb32665340 [0,1,1,0,0,0|2,0,0]=4 3782 B6R0.4 NCCNC(N)=O Amb6254968 [0,1,1,0,0,0|2,0,0]=4 3783 B6R0.4 NCCOC(N)=O Amb22059480 [0,1,1,0,0,0|2,0,0]=4 3784 B6R0.4 NCCOC(N)=O Amb24271076 [0,1,1,0,0,0|2,0,0]=4 3785 B6R0.4 NNCCC(=O)O Amb33756816 [0,1,1,0,0,0|2,0,0]=4 3786 B6R0.4 NOCCC(=O)O Amb17569891 [0,1,1,0,0,0|1,1,0]=4 3787 B6R0.4 NOCCC(=O)O Amb32693437 [0,1,1,0,0,0|1,1,0]=4 3788 B6R0.4 NOCCC(N)=O Amb27838275 [0,1,1,0,0,0|1,1,0]=4 3789 B6R0.4 O=C(Br)CCCBr Amb25724818 [0,1,1,0,0,0|2,0,0]=4 3790 B6R0.4 O=C(Cl)CCCBr Amb3940241 [0,1,1,0,0,0|2,0,0]=4 3791 B6R0.4 O=C(Cl)CCCCl Amb6608638 [0,1,1,0,0,0|2,0,0]=4 3792 B6R0.4 O=C(Cl)NCCBr Amb28123956 [0,1,1,0,0,0|2,0,0]=4 3793 B6R0.4 O=C(Cl)NCCCl Amb24479815 [0,1,1,0,0,0|2,0,0]=4 3794 B6R0.4 O=C(Cl)NCCF Amb35633248 [0,1,1,0,0,0|2,0,0]=4 3795 B6R0.4 O=C(Cl)OCCBr Amb8514406 [0,1,1,0,0,0|2,0,0]=4 3796 B6R0.4 O=C(Cl)OCCCl Amb6608837 [0,1,1,0,0,0|2,0,0]=4 3797 B6R0.4 O=C(Cl)OCCF Amb21618836 [0,1,1,0,0,0|2,0,0]=4 3798 B6R0.4 O=C(O)CCCBr Amb8393276 [0,1,1,0,0,0|2,0,0]=4 3799 B6R0.4 O=C(O)CCCCl Amb3940333 [0,1,1,0,0,0|2,0,0]=4 3800 B6R0.4 O=C(O)CCCF Amb17593104 [0,1,1,0,0,0|2,0,0]=4 3801 B6R0.4 O=C(O)CCCI Amb22295911 [0,1,1,0,0,0|2,0,0]=4 3802 B6R0.4 O=C(O)CCCO Amb18640332 [0,1,1,0,0,0|1,1,0]=4 3803 B6R0.4 O=C(O)CCCS Amb16185429 [0,1,1,0,0,0|1,0,0]=3 3804 B6R0.4 O=C(O)CCNO Amb28067767 [0,1,1,0,0,0|1,1,0]=4 3805 B6R0.4 O=C(O)CCSCl Amb28387511 [0,1,1,0,0,0|1,0,0]=3 3806 B6R0.4 O=C(O)COCF Amb33378705 [0,1,1,0,0,0|1,1,0]=4 3807 B6R0.4 O=C(O)CPCO Amb28340565 [0,1,1,0,0,0|1,1,0]=4 3808 B6R0.4 O=C(O)CSSCl Amb27477882 [0,1,1,0,0,0|2,0,0]=4 3809 B6R0.4 O=C(S)NCCO Amb27430045 [0,1,1,0,0,0|1,1,0]=4 3810 B6R0.4 O=C([O-])CCCO Amb3429667 [0,1,1,0,0,0|1,1,0]=4 3811 B6R0.4 O=C([O-])CNCO Amb8383630 [0,1,1,0,0,0|1,1,0]=4 3812 B6R0.4 O=CCCC(=O)O Amb17673897 [0,1,1,0,0,0|1,1,0]=4 3813 B6R0.4 [C-]#[N+]CCC(=C)C Amb33199608 [0,1,1,0,0,0|2,0,0]=4 3814 B6R0.5 CC(C)(C)CCS Amb24735600 [0,1,1,0,0,0|1,0,1]=4 3815 B6R0.5 CC(C)(F)CCS Amb27848663 [0,1,1,0,0,0|1,0,1]=4 3816 B6R0.5 CC(C)(N)CCS Amb26381918 [0,1,1,0,0,0|1,0,1]=4 3817 B6R0.5 CC(C)(O)CCS Amb27454307 [0,1,1,0,0,0|0,0,2]=4 3818 B6R0.5 CC(F)(F)CCS Amb25216295 [0,1,1,0,0,0|1,0,1]=4 3819 B6R0.5 CCCS(C)(=N)=O Amb32671061 [0,1,1,0,0,0|2,0,0]=4 3820 B6R0.5 CNCP(C)(=O)O Amb4300777 [0,1,1,0,0,0|2,0,0]=4 3821 B6R0.5 CP(C)(=O)CCN Amb25867261 [0,1,1,0,0,0|2,0,0]=4 3822 B6R0.5 CS(=N)(=O)CCN Amb33338808 [0,1,1,0,0,0|2,0,0]=4 3823 B6R0.5 CS(=N)(=O)CCN Amb33484345 [0,1,1,0,0,0|2,0,0]=4 3824 B6R0.5 CS(=N)(=O)CCO Amb33457507 [0,1,1,0,0,0|1,1,0]=4 3825 B6R0.5 CS(=O)(=O)CCBr Amb23399561 [0,1,1,0,0,0|2,0,0]=4 3826 B6R0.5 CS(=O)(=O)CCCl Amb10608526 [0,1,1,0,0,0|2,0,0]=4 3827 B6R0.5 CS(=O)(=O)CCN Amb3940999 [0,1,1,0,0,0|2,0,0]=4 3828 B6R0.5 CS(=O)(=O)CCN Amb6760642 [0,1,1,0,0,0|2,0,0]=4 3829 B6R0.5 CS(=O)(=O)CCO Amb3939193 [0,1,1,0,0,0|1,1,0]=4 3830 B6R0.5 CS(=O)(=O)CCS Amb19514897 [0,1,1,0,0,0|1,0,0]=3 3831 B6R0.5 CSCC(C)(C)C Amb22733631 [0,1,1,0,0,0|1,0,1]=4 3832 B6R0.5 CSCC(C)(C)Cl Amb28370238 [0,1,1,0,0,0|1,0,1]=4 3833 B6R0.5 CSCC(C)(C)N Amb17485957 [0,1,1,0,0,0|1,0,1]=4 3834 B6R0.5 CSCC(C)(C)O Amb27863031 [0,1,1,0,0,0|0,0,2]=4 3835 B6R0.5 CSC[N+](C)(C)C Amb27815626 [0,1,1,0,0,0|2,0,0]=4 3836 B6R0.5 C[S@](=N)(=O)CCN Amb33743772 [0,1,1,0,0,0|2,0,0]=4 3837 B6R0.5 C[S@](=N)(=O)CCO Amb33744008 [0,1,1,0,0,0|1,1,0]=4 3838 B6R0.5 C[Si](C)(C)CCS Amb22351917 [0,1,1,0,0,0|1,1,0]=4 3839 B6R0.5 O=S(=O)(O)CCS Amb22337676 [0,1,1,0,0,0|2,0,0]=4 3840 B6R0.5 O=S(=O)([O-])CCS Amb6600555 [0,1,1,0,0,0|2,0,0]=4 3841 B6R0.6 BrCCSCCBr Amb28468000 [0,1,1,0,0,0|1,0,1]=4 3842 B6R0.6 C#CCCCC=O Amb17593060 [0,1,1,0,0,0|1,0,1]=4 3843 B6R0.6 C#CCCCSC Amb26996684 [0,1,1,0,0,0|1,0,1]=4 3844 B6R0.6 C#CCCNC=O Amb27447032 [0,1,1,0,0,0|1,0,1]=4 3845 B6R0.6 C#CCCSCC Amb24670860 [0,1,1,0,0,0|1,0,1]=4 3846 B6R0.6 C#CCSCC=C Amb27641794 [0,1,1,0,0,0|1,0,1]=4 3847 B6R0.6 C#CCSCCBr Amb28191261 [0,1,1,0,0,0|1,0,1]=4 3848 B6R0.6 C#CCSCCN Amb33548267 [0,1,1,0,0,0|1,0,1]=4 3849 B6R0.6 C#CCSCCN Amb6263724 [0,1,1,0,0,0|1,0,1]=4 3850 B6R0.6 C#CCSCCO Amb33531540 [0,1,1,0,0,0|1,0,1]=4 3851 B6R0.6 C=C=CCCC=O Amb28208489 [0,1,1,0,0,0|1,0,1]=4 3852 B6R0.6 C=CCC#CCC Amb22227956 [0,1,1,0,0,0|2,0,0]=4 3853 B6R0.6 C=CCCC#CC Amb35680296 [0,1,1,0,0,0|2,0,0]=4 3854 B6R0.6 C=CCCCC=O Amb13883672 [0,1,1,0,0,0|1,0,1]=4 3855 B6R0.6 C=CCCCCBr Amb3940222 [0,1,1,0,0,0|2,0,0]=4 3856 B6R0.6 C=CCCCCC Amb3940498 [0,1,1,0,0,0|2,0,0]=4 3857 B6R0.6 C=CCCCCCl Amb2692039 [0,1,1,0,0,0|2,0,0]=4 3858 B6R0.6 C=CCCCCF Amb24409527 [0,1,1,0,0,0|2,0,0]=4 3859 B6R0.6 C=CCCCCI Amb26858458 [0,1,1,0,0,0|2,0,0]=4 3860 B6R0.6 C=CCCCCN Amb18639514 [0,1,1,0,0,0|2,0,0]=4 3861 B6R0.6 C=CCCCCO Amb3940341 [0,1,1,0,0,0|2,0,0]=4 3862 B6R0.6 C=CCCCNC Amb18523846 [0,1,1,0,0,0|2,0,0]=4 3863 B6R0.6 C=CCCCNC Amb32651835 [0,1,1,0,0,0|2,0,0]=4 3864 B6R0.6 C=CCCCOC Amb24432882 [0,1,1,0,0,0|1,1,0]=4 3865 B6R0.6 C=CCCOCCl Amb2696084 [0,1,1,0,0,0|1,1,0]=4 3866 B6R0.6 C=CCCSCC Amb27213772 [0,1,1,0,0,0|1,0,0]=3 3867 B6R0.6 C=CCC\C=C\C Amb22734684 [0,1,1,0,0,0|2,0,0]=4 3868 B6R0.6 C=CCNCCC Amb22587187 [0,1,1,0,0,0|2,0,0]=4 3869 B6R0.6 C=CCNCCC Amb6683949 [0,1,1,0,0,0|2,0,0]=4 3870 B6R0.6 C=CCNCCCl Amb17334072 [0,1,1,0,0,0|2,0,0]=4 3871 B6R0.6 C=CCNCCN Amb17091015 [0,1,1,0,0,0|2,0,0]=4 3872 B6R0.6 C=CCNCCO Amb6706545 [0,1,1,0,0,0|2,0,0]=4 3873 B6R0.6 C=CCNCOC Amb27973157 [0,1,1,0,0,0|1,1,0]=4 3874 B6R0.6 C=CCOCC=O Amb27402231 [0,1,1,0,0,0|0,1,1]=4 3875 B6R0.6 C=CCOCCBr Amb33531510 [0,1,1,0,0,0|1,1,0]=4 3876 B6R0.6 C=CCOCCC Amb3940491 [0,1,1,0,0,0|1,1,0]=4 3877 B6R0.6 C=CCOCCCl Amb2696085 [0,1,1,0,0,0|1,1,0]=4 3878 B6R0.6 C=CCOCCI Amb24739964 [0,1,1,0,0,0|1,1,0]=4 3879 B6R0.6 C=CCOCCN Amb32667523 [0,1,1,0,0,0|1,1,0]=4 3880 B6R0.6 C=CCOCCN Amb33530047 [0,1,1,0,0,0|1,1,0]=4 3881 B6R0.6 C=CCOCCO Amb3940609 [0,1,1,0,0,0|1,1,0]=4 3882 B6R0.6 C=CCOCOC Amb24385255 [0,1,1,0,0,0|1,1,0]=4 3883 B6R0.6 C=CCSCC=C Amb8393147 [0,1,1,0,0,0|1,0,1]=4 3884 B6R0.6 C=CCSCC=O Amb18641509 [0,1,1,0,0,0|0,0,1]=3 3885 B6R0.6 C=CCSCCCl Amb28042684 [0,1,1,0,0,0|1,0,0]=3 3886 B6R0.6 C=CCSCCN Amb13951462 [0,1,1,0,0,0|1,0,0]=3 3887 B6R0.6 C=CCSCCN Amb6273787 [0,1,1,0,0,0|1,0,0]=3 3888 B6R0.6 C=COCCCC Amb8513427 [0,1,1,0,0,0|2,0,0]=4 3889 B6R0.6 C=COCCOC Amb21520356 [0,1,1,0,0,0|1,1,0]=4 3890 B6R0.6 CC#CCCSC Amb27594693 [0,1,1,0,0,0|1,0,1]=4 3891 B6R0.6 CCC#CCC=O Amb28396959 [0,1,1,0,0,0|1,0,0]=3 3892 B6R0.6 CCC=C=CC=O Amb27237589 [0,1,1,0,0,0|1,0,1]=4 3893 B6R0.6 CCCC#CC=O Amb27244852 [0,1,1,0,0,0|1,0,1]=4 3894 B6R0.6 CCCCC=[N+]=[N-] Amb28184340 [0,1,1,0,0,0|2,0,0]=4 3895 B6R0.6 CCCCCC=O Amb3939522 [0,1,1,0,0,0|1,0,0]=3 3896 B6R0.6 CCCCCSC Amb21618865 [0,1,1,0,0,0|1,0,1]=4 3897 B6R0.6 CCCCN=C=O Amb3939310 [0,1,1,0,0,0|1,0,1]=4 3898 B6R0.6 CCCCNC=O Amb4017838 [0,1,1,0,0,0|1,0,0]=3 3899 B6R0.6 CCCCOB=O Amb26900238 [0,1,1,0,0,0|2,0,0]=4 3900 B6R0.6 CCCCOC=O Amb6608882 [0,1,1,0,0,0|1,0,0]=3 3901 B6R0.6 CCCCON=O Amb8515227 [0,1,1,0,0,0|2,0,0]=4 3902 B6R0.6 CCCCSCC Amb9787545 [0,1,1,0,0,0|1,0,1]=4 3903 B6R0.6 CCCCSCCl Amb25146885 [0,1,1,0,0,0|1,0,1]=4 3904 B6R0.6 CCCCSCO Amb27623932 [0,1,1,0,0,0|1,0,1]=4 3905 B6R0.6 CCCC\C=C\I Amb25173925 [0,1,1,0,0,0|2,0,0]=4 3906 B6R0.6 CCCSCC#N Amb6680723 [0,1,1,0,0,0|1,0,1]=4 3907 B6R0.6 CCCSCCBr Amb9304990 [0,1,1,0,0,0|1,0,1]=4 3908 B6R0.6 CCCSCCC Amb9787473 [0,1,1,0,0,0|1,0,1]=4 3909 B6R0.6 CCCSCCCl Amb9304987 [0,1,1,0,0,0|1,0,1]=4 3910 B6R0.6 CCCSCCN Amb19888435 [0,1,1,0,0,0|1,0,1]=4 3911 B6R0.6 CCCSCCN Amb6268693 [0,1,1,0,0,0|1,0,1]=4 3912 B6R0.6 CCCSCCS Amb28050075 [0,1,1,0,0,0|0,1,1]=4 3913 B6R0.6 CCCSCNC Amb27879006 [0,1,1,0,0,0|1,0,1]=4 3914 B6R0.6 CCCSSCC Amb24063527 [0,1,1,0,0,0|1,0,1]=4 3915 B6R0.6 CCC\C=C/C=O Amb25885814 [0,1,1,0,0,0|1,0,1]=4 3916 B6R0.6 CCC\C=C\C=O Amb3940431 [0,1,1,0,0,0|1,0,1]=4 3917 B6R0.6 CCNCCSC Amb19024605 [0,1,1,0,0,0|1,0,1]=4 3918 B6R0.6 CCNCCSC Amb28941534 [0,1,1,0,0,0|1,0,1]=4 3919 B6R0.6 CCNCNC=O Amb27252409 [0,1,1,0,0,0|1,0,0]=3 3920 B6R0.6 CCNC\C=C/I Amb23539308 [0,1,1,0,0,0|2,0,0]=4 3921 B6R0.6 CCN\C=C/C=O Amb27793118 [0,1,1,0,0,0|1,0,1]=4 3922 B6R0.6 CCOCCC=O Amb25688261 [0,1,1,0,0,0|0,1,0]=3 3923 B6R0.6 CCOCNC=O Amb28252363 [0,1,1,0,0,0|0,1,0]=3 3924 B6R0.6 CCOC\C=C\Br Amb28244732 [0,1,1,0,0,0|1,1,0]=4 3925 B6R0.6 CCO\C=C/C=O Amb27423444 [0,1,1,0,0,0|0,1,1]=4 3926 B6R0.6 CCO\C=C\C=O Amb18639560 [0,1,1,0,0,0|0,1,1]=4 3927 B6R0.6 CCSCCC#N Amb6680683 [0,1,1,0,0,0|1,0,1]=4 3928 B6R0.6 CCSCCC=O Amb27254551 [0,1,1,0,0,0|0,0,0]=2 3929 B6R0.6 CCSCCCBr Amb9305000 [0,1,1,0,0,0|1,0,1]=4 3930 B6R0.6 CCSCCCI Amb28461625 [0,1,1,0,0,0|1,0,1]=4 3931 B6R0.6 CCSCCCN Amb6680223 [0,1,1,0,0,0|1,0,1]=4 3932 B6R0.6 CCSCCCO Amb3939588 [0,1,1,0,0,0|0,0,2]=4 3933 B6R0.6 CCSCCCS Amb26476929 [0,1,1,0,0,0|0,1,1]=4 3934 B6R0.6 CCSCCNC Amb16186669 [0,1,1,0,0,0|1,0,1]=4 3935 B6R0.6 CCSCCNN Amb27218047 [0,1,1,0,0,0|1,0,1]=4 3936 B6R0.6 CCSCCNO Amb33324087 [0,1,1,0,0,0|0,0,2]=4 3937 B6R0.6 CCSCCON Amb24414250 [0,1,1,0,0,0|0,0,2]=4 3938 B6R0.6 CCSCN=[N+]=[N-] Amb27838236 [0,1,1,0,0,0|2,0,0]=4 3939 B6R0.6 CCSCNC=O Amb28315587 [0,1,1,0,0,0|0,0,0]=2 3940 B6R0.6 CCSCSCC Amb17609604 [0,1,1,0,0,0|1,0,1]=4 3941 B6R0.6 CC\C=C/CC=O Amb18639157 [0,1,1,0,0,0|1,0,0]=3 3942 B6R0.6 CNCCCSC Amb6718995 [0,1,1,0,0,0|1,0,1]=4 3943 B6R0.6 CNCCSSC Amb28146208 [0,1,1,0,0,0|2,0,0]=4 3944 B6R0.6 CNCC\C=C\Cl Amb27605601 [0,1,1,0,0,0|2,0,0]=4 3945 B6R0.6 COCCCC=O Amb33530955 [0,1,1,0,0,0|0,1,0]=3 3946 B6R0.6 COCCCSC Amb28139052 [0,1,1,0,0,0|0,0,2]=4 3947 B6R0.6 COCCN=C=O Amb901883 [0,1,1,0,0,0|0,1,1]=4 3948 B6R0.6 COCCNC=O Amb24334241 [0,1,1,0,0,0|0,1,0]=3 3949 B6R0.6 COCCSCCl Amb33545127 [0,1,1,0,0,0|2,0,0]=4 3950 B6R0.6 COCOCC=O Amb27409311 [0,1,1,0,0,0|0,1,0]=3 3951 B6R0.6 COCSCC#N Amb18928019 [0,1,1,0,0,0|1,0,1]=4 3952 B6R0.6 COC\C=C\C=O Amb33473884 [0,1,1,0,0,0|0,1,1]=4 3953 B6R0.6 CSCCCC#N Amb17504231 [0,1,1,0,0,0|1,0,1]=4 3954 B6R0.6 CSCCCC=O Amb25992553 [0,1,1,0,0,0|0,0,0]=2 3955 B6R0.6 CSCCCCBr Amb19054837 [0,1,1,0,0,0|1,0,1]=4 3956 B6R0.6 CSCCCCCl Amb25240444 [0,1,1,0,0,0|1,0,1]=4 3957 B6R0.6 CSCCCCF Amb27620229 [0,1,1,0,0,0|1,0,1]=4 3958 B6R0.6 CSCCCCN Amb17500948 [0,1,1,0,0,0|1,0,1]=4 3959 B6R0.6 CSCCCCO Amb9825911 [0,1,1,0,0,0|0,0,2]=4 3960 B6R0.6 CSCCCCS Amb27461555 [0,1,1,0,0,0|0,1,1]=4 3961 B6R0.6 CSCCCNN Amb24093854 [0,1,1,0,0,0|1,0,1]=4 3962 B6R0.6 CSCCCNO Amb27948053 [0,1,1,0,0,0|0,0,2]=4 3963 B6R0.6 CSCCCON Amb27947150 [0,1,1,0,0,0|0,0,2]=4 3964 B6R0.6 CSCCCSC Amb22043311 [0,1,1,0,0,0|0,1,1]=4 3965 B6R0.6 CSCCN=C=O Amb19889355 [0,1,1,0,0,0|0,0,1]=3 3966 B6R0.6 CSCCN=C=S Amb22059365 [0,1,1,0,0,0|0,1,1]=4 3967 B6R0.6 CSCCN=[N+]=[N-] Amb16186858 [0,1,1,0,0,0|2,0,0]=4 3968 B6R0.6 CSCCNC#N Amb27946292 [0,1,1,0,0,0|1,0,1]=4 3969 B6R0.6 CSCCNC=O Amb28437305 [0,1,1,0,0,0|0,0,0]=2 3970 B6R0.6 CSCSCSC Amb25025600 [0,1,1,0,0,0|2,0,0]=4 3971 B6R0.6 CSC\C=C\C=O Amb33271737 [0,1,1,0,0,0|0,0,1]=3 3972 B6R0.6 CSC\C=C\CCl Amb27473343 [0,1,1,0,0,0|1,0,1]=4 3973 B6R0.6 CSC\C=C\CN Amb33474032 [0,1,1,0,0,0|1,0,1]=4 3974 B6R0.6 CSC\C=C\CO Amb33079758 [0,1,1,0,0,0|0,0,2]=4 3975 B6R0.6 C\C=C/CCC=O Amb28202620 [0,1,1,0,0,0|1,0,0]=3 3976 B6R0.6 C\C=C/CCCC Amb24467666 [0,1,1,0,0,0|2,0,0]=4 3977 B6R0.6 C\C=C\CCC=O Amb17593074 [0,1,1,0,0,0|1,0,0]=3 3978 B6R0.6 C\C=C\CCCC Amb8515158 [0,1,1,0,0,0|2,0,0]=4 3979 B6R0.6 C\C=C\SCCC Amb22168314 [0,1,1,0,0,0|1,0,1]=4 3980 B6R0.6 ClCCSCCBr Amb27838203 [0,1,1,0,0,0|1,0,1]=4 3981 B6R0.6 ClCCSCCCl Amb22731869 [0,1,1,0,0,0|1,0,1]=4 3982 B6R0.6 Cl\C=C\SCCCl Amb28197764 [0,1,1,0,0,0|1,0,1]=4 3983 B6R0.6 FCCSCCCl Amb28423486 [0,1,1,0,0,0|1,0,1]=4 3984 B6R0.6 N#CCCCC=O Amb18120556 [0,1,1,0,0,0|1,0,1]=4 3985 B6R0.6 N#CCSCCN Amb6265754 [0,1,1,0,0,0|1,0,1]=4 3986 B6R0.6 NCCCCC=O Amb26627836 [0,1,1,0,0,0|1,0,0]=3 3987 B6R0.6 NCCCNC=O Amb5723517 [0,1,1,0,0,0|2,0,0]=4 3988 B6R0.6 NCCSCCN Amb32679817 [0,1,1,0,0,0|1,0,1]=4 3989 B6R0.6 NCCSCCN Amb9695000 [0,1,1,0,0,0|1,0,1]=4 3990 B6R0.6 NCCSCCO Amb2725559 [0,1,1,0,0,0|0,0,2]=4 3991 B6R0.6 O=CCCCC=O Amb6600455 [0,1,1,0,0,0|1,0,1]=4 3992 B6R0.6 O=CCCCCBr Amb18126353 [0,1,1,0,0,0|1,0,0]=3 3993 B6R0.6 O=CCCCCCl Amb18123550 [0,1,1,0,0,0|1,0,0]=3 3994 B6R0.6 O=CCCCCO Amb10603837 [0,1,1,0,0,0|1,0,0]=3 3995 B6R0.6 O=CCCCN=O Amb27838215 [0,1,1,0,0,0|2,0,0]=4 3996 B6R0.6 O=CCC\C=C/Br Amb27838206 [0,1,1,0,0,0|1,0,1]=4 3997 B6R0.6 O=CCC\C=C\Cl Amb27955198 [0,1,1,0,0,0|1,0,1]=4 3998 B6R0.6 O=CNCCCO Amb27248821 [0,1,1,0,0,0|2,0,0]=4 3999 B6R0.6 O=C\C=C/CCO Amb27235316 [0,1,1,0,0,0|1,0,1]=4 4000 B6R0.6 O=C\C=C\CCF Amb33429802 [0,1,1,0,0,0|1,0,1]=4 4001 B6R0.6 OCCSCCCl Amb27413860 [0,1,1,0,0,0|0,0,2]=4 4002 B6R0.6 OCCSCCO Amb6891967 [0,1,1,0,0,0|0,0,2]=4 4003 B6R0.6 OCCSCCS Amb27829564 [0,1,1,0,0,0|0,0,2]=4 4004 B6R0.6 SCCSCCS Amb9826816 [0,1,1,0,0,0|0,1,1]=4 4005 B6R0.6 [C-]#[N+]CCCSC Amb33198739 [0,1,1,0,0,0|1,0,1]=4 4006 B6R0.6 [C-]#[N+]CCSCC Amb33324019 [0,1,1,0,0,0|1,0,1]=4 4007 B6R0.6 [N-]=[N+]=NCCC=O Amb28050185 [0,1,1,0,0,0|2,0,0]=4 4008 B6R0.8 CCC(C)(C)CS Amb26893649 [0,1,1,0,0,0|1,0,1]=4 4009 B6R0.8 CCP(=O)(Cl)CCl Amb27969169 [0,1,1,0,0,0|2,0,0]=4 4010 B6R0.8 CCP(=O)(O)CC Amb22732881 [0,1,1,0,0,0|2,0,0]=4 4011 B6R0.8 CCS(=N)(=O)CC Amb22735220 [0,1,1,0,0,0|2,0,0]=4 4012 B6R0.8 CCS(=O)(=O)CBr Amb23511112 [0,1,1,0,0,0|2,0,0]=4 4013 B6R0.8 CCS(=O)(=O)CC Amb17672874 [0,1,1,0,0,0|2,0,0]=4 4014 B6R0.8 CCS(=O)(=O)CCl Amb22886699 [0,1,1,0,0,0|2,0,0]=4 4015 B6R0.8 O=P(O)(CS)CS Amb24479813 [0,1,1,0,0,0|2,0,0]=4 4016 B6R0.9 CCC(C=O)CC Amb3939947 [0,1,1,0,0,0|1,0,1]=4 4017 B6R0.9 CCC(C=O)CO Amb27986136 [0,1,1,0,0,0|0,1,1]=4 4018 B6R0.9 CCC(C=O)CS Amb27826916 [0,1,1,0,0,0|0,0,1]=3 4019 B6R0.9 CCC(CC)=NO Amb2782908 [0,1,1,0,0,0|1,0,1]=4 4020 B6R0.9 CCC(CC)CS Amb19893341 [0,1,1,0,0,0|1,0,1]=4 4021 B6R0.9 CCC(CCl)N=O Amb27235877 [0,1,1,0,0,0|1,0,1]=4 4022 B6R0.9 CCC(CO)CS Amb28079044 [0,1,1,0,0,0|0,0,2]=4 4023 B6R0.9 CCC(CS)OC Amb26588357 [0,1,1,0,0,0|0,0,2]=4 4024 B6R0.9 CCN(C=O)CC Amb8513815 [0,1,1,0,0,0|2,0,0]=4 4025 B6R0.9 CCN(CC)CS Amb25713321 [0,1,1,0,0,0|2,0,0]=4 4026 B6R0.9 CCN(CC)N=O Amb19878083 [0,1,1,0,0,0|2,0,0]=4 4027 B6R0.9 CCN(CO)N=O Amb27435985 [0,1,1,0,0,0|1,1,0]=4 4028 B6R0.9 CC\C(=C\Br)CO Amb28290248 [0,1,1,0,0,0|1,1,0]=4 4029 B6R0.9 CC\C(C=O)=C\Cl Amb27400355 [0,1,1,0,0,0|1,0,1]=4 4030 B6R0.9 CC\C(C=O)=C\N Amb28248353 [0,1,1,0,0,0|1,0,1]=4 4031 B6R0.9 CC\C(CO)=N\O Amb28401356 [0,1,1,0,0,0|0,1,1]=4 4032 B6R0.9 C\C=C(/C=O)CC Amb27838269 [0,1,1,0,0,0|1,0,1]=4 4033 B6R0.9 C\C=C(\C=O)CC Amb10606406 [0,1,1,0,0,0|1,0,1]=4 4034 B6R0.9 C\C=C(\C=O)CCl Amb27424657 [0,1,1,0,0,0|1,0,1]=4 4035 B6R0.9 C\C=C(\C=O)CO Amb28388682 [0,1,1,0,0,0|0,1,1]=4 4036 B6R0.9 C\C=C(\CC)CBr Amb27491794 [0,1,1,0,0,0|2,0,0]=4 4037 B6R0.9 C\C=C(\CC)CN Amb27185641 [0,1,1,0,0,0|2,0,0]=4 4038 B6R0.9 C\C=C(\CC)CO Amb27637925 [0,1,1,0,0,0|1,1,0]=4 4039 B6R0.9 SCC(=CCl)CS Amb27865419 [0,1,1,0,0,0|2,0,0]=4 4040 B6R1.4 Br[C@@H]1CC[C@H]1Br Amb26580083 [0,1,0,0,1,0|1,0,1]=4 4041 B6R1.4 Br[C@H]1CC[C@@H]1Br Amb27844351 [0,1,0,0,1,0|1,0,1]=4 4042 B6R1.4 Br[C@H]1CC[C@H]1Br Amb27873287 [0,1,0,0,1,0|1,0,1]=4 4043 B6R1.4 C=C1CCC1C Amb27424508 [0,1,0,0,1,0|1,0,0]=3 4044 B6R1.4 C=C1CCC1Cl Amb27637701 [0,1,0,0,1,0|1,0,0]=3 4045 B6R1.4 CC1CCC1=O Amb17593022 [0,1,0,0,1,0|0,0,0]=2 4046 B6R1.4 CC1CCC1Br Amb27657001 [0,1,0,0,1,0|1,0,1]=4 4047 B6R1.4 CC1CCC1N Amb26081246 [0,1,0,0,1,0|1,0,1]=4 4048 B6R1.4 CC1CCC1N Amb33550388 [0,1,0,0,1,0|1,0,1]=4 4049 B6R1.4 CC1CCC1O Amb33546533 [0,1,0,0,1,0|0,0,2]=4 4050 B6R1.4 CC1CCC1S Amb26562257 [0,1,0,0,1,0|0,1,1]=4 4051 B6R1.4 CC1CNC1=O Amb24444140 [0,1,0,0,1,0|1,0,0]=3 4052 B6R1.4 CC1COC1=O Amb25794274 [0,1,0,0,1,0|0,1,0]=3 4053 B6R1.4 CC1NNC1=O Amb35751853 [0,1,0,0,1,0|2,0,0]=4 4054 B6R1.4 CC1OCC1=O Amb23456088 [0,1,0,0,1,0|0,1,0]=3 4055 B6R1.4 C[C@@H]1CC[C@H]1N Amb27461478 [0,1,0,0,1,0|1,0,1]=4 4056 B6R1.4 C[C@@H]1CC[C@H]1N Amb31030976 [0,1,0,0,1,0|1,0,1]=4 4057 B6R1.4 C[C@@H]1CC[C@H]1O Amb28053300 [0,1,0,0,1,0|0,0,2]=4 4058 B6R1.4 C[C@@H]1SC[C@H]1O Amb27775813 [0,1,0,0,1,0|0,0,2]=4 4059 B6R1.4 C[C@H]1CC[C@H]1Br Amb28141451 [0,1,0,0,1,0|1,0,1]=4 4060 B6R1.4 C[C@H]1CNC1=O Amb27620602 [0,1,0,0,1,0|1,0,0]=3 4061 B6R1.4 ClC1CCC1Cl Amb26599495 [0,1,0,0,1,0|1,0,1]=4 4062 B6R1.4 Cl[C@H]1CC[C@H]1Cl Amb24635621 [0,1,0,0,1,0|1,0,1]=4 4063 B6R1.4 F[C@@H]1CC[C@H]1Br Amb35752252 [0,1,0,0,1,0|1,0,1]=4 4064 B6R1.4 N=C1CNC1=O Amb27255646 [0,1,0,0,1,0|1,0,1]=4 4065 B6R1.4 NC1CCC1=O Amb22896568 [0,1,0,0,1,0|0,0,0]=2 4066 B6R1.4 NC1CCC1=O Amb25887804 [0,1,0,0,1,0|0,0,0]=2 4067 B6R1.4 NC1CCC1F Amb33715804 [0,1,0,0,1,0|1,0,1]=4 4068 B6R1.4 NC1CCC1N Amb27872038 [0,1,0,0,1,0|1,0,1]=4 4069 B6R1.4 NC1CCC1O Amb19148610 [0,1,0,0,1,0|0,0,2]=4 4070 B6R1.4 NC1CCC1O Amb31291441 [0,1,0,0,1,0|0,0,2]=4 4071 B6R1.4 NC1CNC1=O Amb18832512 [0,1,0,0,1,0|1,0,0]=3 4072 B6R1.4 NC1CNC1=O Amb32671465 [0,1,0,0,1,0|1,0,0]=3 4073 B6R1.4 NN1CCC1=O Amb27860475 [0,1,0,0,1,0|1,0,0]=3 4074 B6R1.4 NN1CCC1=O Amb30625658 [0,1,0,0,1,0|1,0,0]=3 4075 B6R1.4 N[C@@H]1CC[C@@H]1F Amb33620889 [0,1,0,0,1,0|1,0,1]=4 4076 B6R1.4 N[C@@H]1CC[C@@H]1F Amb33747380 [0,1,0,0,1,0|1,0,1]=4 4077 B6R1.4 N[C@@H]1CC[C@@H]1O Amb22757952 [0,1,0,0,1,0|0,0,2]=4 4078 B6R1.4 N[C@@H]1CC[C@@H]1O Amb22823228 [0,1,0,0,1,0|0,0,2]=4 4079 B6R1.4 N[C@@H]1CC[C@H]1O Amb22757953 [0,1,0,0,1,0|0,0,2]=4 4080 B6R1.4 N[C@@H]1CC[C@H]1O Amb22823232 [0,1,0,0,1,0|0,0,2]=4 4081 B6R1.4 N[C@@H]1CC[C@H]1O Amb33719048 [0,1,0,0,1,0|0,0,2]=4 4082 B6R1.4 N[C@@H]1CNC1=O Amb22751418 [0,1,0,0,1,0|1,0,0]=3 4083 B6R1.4 N[C@@H]1CNC1=O Amb30982058 [0,1,0,0,1,0|1,0,0]=3 4084 B6R1.4 N[C@@H]1COC1=O Amb22748014 [0,1,0,0,1,0|0,1,0]=3 4085 B6R1.4 N[C@H]1CC[C@@H]1O Amb24579886 [0,1,0,0,1,0|0,0,2]=4 4086 B6R1.4 N[C@H]1CC[C@H]1N Amb25067470 [0,1,0,0,1,0|1,0,1]=4 4087 B6R1.4 N[C@H]1CC[C@H]1O Amb24580190 [0,1,0,0,1,0|0,0,2]=4 4088 B6R1.4 N[C@H]1CNC1=O Amb25811302 [0,1,0,0,1,0|1,0,0]=3 4089 B6R1.4 N[C@H]1CNC1=O Amb31291144 [0,1,0,0,1,0|1,0,0]=3 4090 B6R1.4 N[C@H]1COC1=O Amb28315731 [0,1,0,0,1,0|0,1,0]=3 4091 B6R1.4 N[C@H]1CSC1=O Amb27391192 [0,1,0,0,1,0|0,0,0]=2 4092 B6R1.4 O=C1CCC1=O Amb4036402 [0,1,0,0,1,0|0,0,1]=3 4093 B6R1.4 O=C1CCC1Br Amb21964157 [0,1,0,0,1,0|0,0,0]=2 4094 B6R1.4 O=C1CCC1Cl Amb33544158 [0,1,0,0,1,0|0,0,0]=2 4095 B6R1.4 O=C1CCC1O Amb17593027 [0,1,0,0,1,0|0,0,0]=2 4096 B6R1.4 O=C1CNC1=O Amb27973276 [0,1,0,0,1,0|1,0,1]=4 4097 B6R1.4 O=C1NCC1O Amb24689689 [0,1,0,0,1,0|1,0,0]=3 4098 B6R1.4 OC1CCC1F Amb34138084 [0,1,0,0,1,0|0,0,2]=4 4099 B6R1.4 OC1CCC1O Amb27647204 [0,1,0,0,1,0|0,0,2]=4 4100 B6R1.4 O[C@@H]1CC[C@H]1O Amb28053810 [0,1,0,0,1,0|0,0,2]=4 4101 B6R1.4 O[C@@H]1CC[C@H]1S Amb27420494 [0,1,0,0,1,0|0,0,2]=4 4102 B6R1.4 O[C@H]1CC[C@H]1O Amb24505810 [0,1,0,0,1,0|0,0,2]=4 4103 B6R1.5 C=C1CC(C)C1 Amb27242578 [0,1,0,0,1,0|1,0,0]=3 4104 B6R1.5 C=C1CC(Cl)C1 Amb27863443 [0,1,0,0,1,0|1,0,0]=3 4105 B6R1.5 C=C1CC(N)C1 Amb19929922 [0,1,0,0,1,0|1,0,0]=3 4106 B6R1.5 C=C1CC(N)C1 Amb28464229 [0,1,0,0,1,0|1,0,0]=3 4107 B6R1.5 C=C1CC(O)C1 Amb28126950 [0,1,0,0,1,0|1,0,0]=3 4108 B6R1.5 CC1=CC(=O)C1 Amb27451158 [0,1,0,0,1,0|0,0,2]=4 4109 B6R1.5 CC1CC(=O)C1 Amb22284831 [0,1,0,0,1,0|0,0,0]=2 4110 B6R1.5 CC1CC(=O)N1 Amb28383498 [0,1,0,0,1,0|1,0,0]=3 4111 B6R1.5 CC1CC(=O)O1 Amb13777279 [0,1,0,0,1,0|0,1,0]=3 4112 B6R1.5 CC1CC(=O)S1 Amb27424521 [0,1,0,0,1,0|0,0,0]=2 4113 B6R1.5 CC1CC(Cl)C1 Amb27985854 [0,1,0,0,1,0|1,0,1]=4 4114 B6R1.5 CC1CC(N)C1 Amb20623633 [0,1,0,0,1,0|1,0,1]=4 4115 B6R1.5 CC1CC(N)C1 Amb22058941 [0,1,0,0,1,0|1,0,1]=4 4116 B6R1.5 CC1CC(O)C1 Amb22235436 [0,1,0,0,1,0|0,0,2]=4 4117 B6R1.5 CC1CC(S)C1 Amb27222229 [0,1,0,0,1,0|0,1,1]=4 4118 B6R1.5 CN1CC(=O)C1 Amb22292462 [0,1,0,0,1,0|1,0,0]=3 4119 B6R1.5 CN1CC(=O)C1 Amb30869395 [0,1,0,0,1,0|1,0,0]=3 4120 B6R1.5 CN1CC(Cl)C1 Amb24355400 [0,1,0,0,1,0|2,0,0]=4 4121 B6R1.5 CN1CC(N)C1 Amb21857825 [0,1,0,0,1,0|2,0,0]=4 4122 B6R1.5 CN1CC(N)C1 Amb8631601 [0,1,0,0,1,0|2,0,0]=4 4123 B6R1.5 CN1CC(O)C1 Amb21960698 [0,1,0,0,1,0|2,0,0]=4 4124 B6R1.5 CN1CC(O)C1 Amb22034404 [0,1,0,0,1,0|2,0,0]=4 4125 B6R1.5 CN1CC(O)C1 Amb32646073 [0,1,0,0,1,0|2,0,0]=4 4126 B6R1.5 C[C@@H]1CC(=O)N1 Amb26611068 [0,1,0,0,1,0|1,0,0]=3 4127 B6R1.5 C[C@H]1CC(=O)O1 Amb16234264 [0,1,0,0,1,0|0,1,0]=3 4128 B6R1.5 C[C@H]1C[C@@H](Cl)C1 Amb27955840 [0,1,0,0,1,0|1,0,1]=4 4129 B6R1.5 C[C@H]1C[C@@H](N)C1 Amb22746992 [0,1,0,0,1,0|1,0,1]=4 4130 B6R1.5 C[C@H]1C[C@@H](N)C1 Amb26464238 [0,1,0,0,1,0|1,0,1]=4 4131 B6R1.5 C[C@H]1C[C@@H](O)C1 Amb27472789 [0,1,0,0,1,0|0,0,2]=4 4132 B6R1.5 C[C@H]1C[C@H](N)C1 Amb24665814 [0,1,0,0,1,0|1,0,1]=4 4133 B6R1.5 C[C@H]1C[C@H](N)C1 Amb34152650 [0,1,0,0,1,0|1,0,1]=4 4134 B6R1.5 C[C@H]1C[C@H](O)C1 Amb26010738 [0,1,0,0,1,0|0,0,2]=4 4135 B6R1.5 ClC1CC(Cl)C1 Amb27185636 [0,1,0,0,1,0|1,0,1]=4 4136 B6R1.5 Cl[C@H]1C[C@H](Br)C1 Amb27433818 [0,1,0,0,1,0|1,0,1]=4 4137 B6R1.5 Cl[C@H]1C[C@H](Cl)C1 Amb27233571 [0,1,0,0,1,0|1,0,1]=4 4138 B6R1.5 NC1CC(=O)C1 Amb20241928 [0,1,0,0,1,0|0,0,0]=2 4139 B6R1.5 NC1CC(=O)C1 Amb23439093 [0,1,0,0,1,0|0,0,0]=2 4140 B6R1.5 NC1CC(Br)C1 Amb33483370 [0,1,0,0,1,0|1,0,1]=4 4141 B6R1.5 NC1CC(Br)C1 Amb33483371 [0,1,0,0,1,0|1,0,1]=4 4142 B6R1.5 NC1CC(F)C1 Amb19515443 [0,1,0,0,1,0|1,0,1]=4 4143 B6R1.5 NC1CC(F)C1 Amb22055291 [0,1,0,0,1,0|1,0,1]=4 4144 B6R1.5 NC1CC(N)C1 Amb19516078 [0,1,0,0,1,0|1,0,1]=4 4145 B6R1.5 NC1CC(N)C1 Amb8389497 [0,1,0,0,1,0|1,0,1]=4 4146 B6R1.5 NC1CC(O)C1 Amb20670971 [0,1,0,0,1,0|0,0,2]=4 4147 B6R1.5 NC1CC(O)C1 Amb8011533 [0,1,0,0,1,0|0,0,2]=4 4148 B6R1.5 NC1CC(S)C1 Amb32788611 [0,1,0,0,1,0|0,1,1]=4 4149 B6R1.5 NC1CS(=O)C1 Amb25757983 [0,1,0,0,1,0|1,0,0]=3 4150 B6R1.5 NC1CS(=O)C1 Amb32655803 [0,1,0,0,1,0|1,0,0]=3 4151 B6R1.5 NN1CC(O)C1 Amb26591778 [0,1,0,0,1,0|2,0,0]=4 4152 B6R1.5 NN1CC(O)C1 Amb30627773 [0,1,0,0,1,0|2,0,0]=4 4153 B6R1.5 N[C@H]1C[C@@H](Br)C1 Amb34142242 [0,1,0,0,1,0|1,0,1]=4 4154 B6R1.5 N[C@H]1C[C@@H](F)C1 Amb22757506 [0,1,0,0,1,0|1,0,1]=4 4155 B6R1.5 N[C@H]1C[C@@H](F)C1 Amb24053524 [0,1,0,0,1,0|1,0,1]=4 4156 B6R1.5 N[C@H]1C[C@@H](N)C1 Amb22737491 [0,1,0,0,1,0|1,0,1]=4 4157 B6R1.5 N[C@H]1C[C@@H](N)C1 Amb23440098 [0,1,0,0,1,0|1,0,1]=4 4158 B6R1.5 N[C@H]1C[C@@H](O)C1 Amb10603190 [0,1,0,0,1,0|0,0,2]=4 4159 B6R1.5 N[C@H]1C[C@@H](O)C1 Amb22230425 [0,1,0,0,1,0|0,0,2]=4 4160 B6R1.5 N[C@H]1C[C@H](F)C1 Amb23440227 [0,1,0,0,1,0|1,0,1]=4 4161 B6R1.5 N[C@H]1C[C@H](F)C1 Amb24053525 [0,1,0,0,1,0|1,0,1]=4 4162 B6R1.5 N[C@H]1C[C@H](N)C1 Amb23440099 [0,1,0,0,1,0|1,0,1]=4 4163 B6R1.5 N[C@H]1C[C@H](N)C1 Amb23440100 [0,1,0,0,1,0|1,0,1]=4 4164 B6R1.5 N[C@H]1C[C@H](O)C1 Amb10604103 [0,1,0,0,1,0|0,0,2]=4 4165 B6R1.5 N[C@H]1C[C@H](O)C1 Amb33523572 [0,1,0,0,1,0|0,0,2]=4 4166 B6R1.5 O=C1CC(=O)C1 Amb27832187 [0,1,0,0,1,0|0,0,1]=3 4167 B6R1.5 O=C1CC(=O)N1 Amb27402706 [0,1,0,0,1,0|1,0,1]=4 4168 B6R1.5 O=C1CC(=S)N1 Amb27815147 [0,1,0,0,1,0|1,0,1]=4 4169 B6R1.5 O=C1CC(Br)C1 Amb33548005 [0,1,0,0,1,0|0,0,0]=2 4170 B6R1.5 O=C1CC(F)C1 Amb27260513 [0,1,0,0,1,0|0,0,0]=2 4171 B6R1.5 O=C1CC(F)N1 Amb24588463 [0,1,0,0,1,0|1,0,0]=3 4172 B6R1.5 O=C1CC(O)C1 Amb22235480 [0,1,0,0,1,0|0,0,0]=2 4173 B6R1.5 O=C1C[C@@H](Br)N1 Amb26634817 [0,1,0,0,1,0|1,0,0]=3 4174 B6R1.5 O=S1CC(Cl)C1 Amb27483106 [0,1,0,0,1,0|1,0,0]=3 4175 B6R1.5 OC1CC(Br)C1 Amb24544946 [0,1,0,0,1,0|0,0,2]=4 4176 B6R1.5 OC1CC(Cl)C1 Amb27234478 [0,1,0,0,1,0|0,0,2]=4 4177 B6R1.5 OC1CC(F)C1 Amb23439374 [0,1,0,0,1,0|0,0,2]=4 4178 B6R1.5 OC1CC(O)C1 Amb33550902 [0,1,0,0,1,0|0,0,2]=4 4179 B6R1.5 O[C@H]1C[C@@H](Br)C1 Amb33299478 [0,1,0,0,1,0|0,0,2]=4 4180 B6R1.5 O[C@H]1C[C@@H](F)C1 Amb24183986 [0,1,0,0,1,0|0,0,2]=4 4181 B6R1.5 O[C@H]1C[C@@H](O)C1 Amb26562258 [0,1,0,0,1,0|0,0,2]=4 4182 B6R1.5 O[C@H]1C[C@@H](S)C1 Amb27461463 [0,1,0,0,1,0|0,0,2]=4 4183 B6R1.5 O[C@H]1C[C@H](Br)C1 Amb26636996 [0,1,0,0,1,0|0,0,2]=4 4184 B6R1.5 O[C@H]1C[C@H](Cl)C1 Amb26427512 [0,1,0,0,1,0|0,0,2]=4 4185 B6R1.5 O[C@H]1C[C@H](F)C1 Amb23440228 [0,1,0,0,1,0|0,0,2]=4 4186 B6R1.5 O[C@H]1C[C@H](O)C1 Amb26657998 [0,1,0,0,1,0|0,0,2]=4 4187 B6R1.5 O[C@H]1C[C@H](S)C1 Amb28065373 [0,1,0,0,1,0|0,0,2]=4 4188 B6R1.6 BrC=C1COC1 Amb33483065 [0,1,0,0,1,0|1,1,0]=4 4189 B6R1.6 BrCC1CCC1 Amb3940157 [0,1,0,0,1,0|1,0,1]=4 4190 B6R1.6 C#CC1CCC1 Amb25184959 [0,1,0,0,1,0|1,0,1]=4 4191 B6R1.6 C=CC1CCC1 Amb27254044 [0,1,0,0,1,0|1,0,1]=4 4192 B6R1.6 CC=C1CCC1 Amb27960500 [0,1,0,0,1,0|1,0,0]=3 4193 B6R1.6 CCC1CCC1 Amb24394555 [0,1,0,0,1,0|1,0,1]=4 4194 B6R1.6 CNC1CCC1 Amb18946245 [0,1,0,0,1,0|1,0,1]=4 4195 B6R1.6 CNC1CCC1 Amb19303706 [0,1,0,0,1,0|1,0,1]=4 4196 B6R1.6 CNC1CSC1 Amb26652187 [0,1,0,0,1,0|1,0,1]=4 4197 B6R1.6 CNC1CSC1 Amb33038459 [0,1,0,0,1,0|1,0,1]=4 4198 B6R1.6 COC1CSC1 Amb4016253 [0,1,0,0,1,0|0,0,2]=4 4199 B6R1.6 CSC1CCC1 Amb27875235 [0,1,0,0,1,0|0,1,1]=4 4200 B6R1.6 ClCC1=CCC1 Amb27815042 [0,1,0,0,1,0|1,0,1]=4 4201 B6R1.6 ClCC1CCC1 Amb8860570 [0,1,0,0,1,0|1,0,1]=4 4202 B6R1.6 ICC1CCC1 Amb27831605 [0,1,0,0,1,0|1,0,1]=4 4203 B6R1.6 N#CC1CCC1 Amb16232994 [0,1,0,0,1,0|1,0,1]=4 4204 B6R1.6 N#CC1CSC1 Amb26331972 [0,1,0,0,1,0|1,0,1]=4 4205 B6R1.6 N#CN1CCC1 Amb27980503 [0,1,0,0,1,0|2,0,0]=4 4206 B6R1.6 NCC1CCC1 Amb6255393 [0,1,0,0,1,0|1,0,1]=4 4207 B6R1.6 NCC1CCC1 Amb7969499 [0,1,0,0,1,0|1,0,1]=4 4208 B6R1.6 NCC1CCS1 Amb33329371 [0,1,0,0,1,0|1,0,1]=4 4209 B6R1.6 NCC1CSC1 Amb22737306 [0,1,0,0,1,0|1,0,1]=4 4210 B6R1.6 NCC1CSC1 Amb23439787 [0,1,0,0,1,0|1,0,1]=4 4211 B6R1.6 NN=C1COC1 Amb23560173 [0,1,0,0,1,0|1,1,0]=4 4212 B6R1.6 NNC1CCC1 Amb21936692 [0,1,0,0,1,0|1,0,1]=4 4213 B6R1.6 NNC1CCC1 Amb33533268 [0,1,0,0,1,0|1,0,1]=4 4214 B6R1.6 NNC1CCC1 Amb6892241 [0,1,0,0,1,0|1,0,1]=4 4215 B6R1.6 NNC1CSC1 Amb25887550 [0,1,0,0,1,0|1,0,1]=4 4216 B6R1.6 NNC1CSC1 Amb28984079 [0,1,0,0,1,0|1,0,1]=4 4217 B6R1.6 NOC1CCC1 Amb10975959 [0,1,0,0,1,0|0,0,2]=4 4218 B6R1.6 NOC1CCC1 Amb25118834 [0,1,0,0,1,0|0,0,2]=4 4219 B6R1.6 O=CC1CCC1 Amb8009552 [0,1,0,0,1,0|0,0,1]=3 4220 B6R1.6 O=CC1CCN1 Amb25757222 [0,1,0,0,1,0|1,0,1]=4 4221 B6R1.6 O=CC1CCS1 Amb27644631 [0,1,0,0,1,0|0,0,1]=3 4222 B6R1.6 O=CC1CNC1 Amb25919428 [0,1,0,0,1,0|1,0,1]=4 4223 B6R1.6 O=CC1COC1 Amb21857829 [0,1,0,0,1,0|0,1,1]=4 4224 B6R1.6 O=NN1CCC1 Amb24407378 [0,1,0,0,1,0|1,0,0]=3 4225 B6R1.6 OCC1CCC1 Amb2686620 [0,1,0,0,1,0|0,0,2]=4 4226 B6R1.6 OCC1CSC1 Amb23438800 [0,1,0,0,1,0|0,0,2]=4 4227 B6R1.6 ON=C1CCC1 Amb2782887 [0,1,0,0,1,0|0,0,1]=3 4228 B6R1.6 ON=C1CSC1 Amb27789710 [0,1,0,0,1,0|0,0,1]=3 4229 B6R1.6 SCC1CCC1 Amb26511279 [0,1,0,0,1,0|0,1,1]=4 4230 B6R1.6 [C-]#[N+]C1CCC1 Amb19892422 [0,1,0,0,1,0|1,0,1]=4 4231 B6R1.10 CC1(Br)CCC1 Amb25951784 [0,1,0,0,1,0|1,0,1]=4 4232 B6R1.10 CC1(C)CCS1 Amb27663056 [0,1,0,0,1,0|1,0,1]=4 4233 B6R1.10 CC1(I)CCC1 Amb34137823 [0,1,0,0,1,0|1,0,1]=4 4234 B6R1.10 CC1(N)CCC1 Amb19888627 [0,1,0,0,1,0|1,0,1]=4 4235 B6R1.10 CC1(N)CCC1 Amb2786532 [0,1,0,0,1,0|1,0,1]=4 4236 B6R1.10 CC1(N)CSC1 Amb21960936 [0,1,0,0,1,0|1,0,1]=4 4237 B6R1.10 CC1(N)CSC1 Amb31307965 [0,1,0,0,1,0|1,0,1]=4 4238 B6R1.10 CC1(O)CCC1 Amb17940165 [0,1,0,0,1,0|0,0,2]=4 4239 B6R1.10 CC1(O)CSC1 Amb26019921 [0,1,0,0,1,0|0,0,2]=4 4240 B6R1.10 C[Si]1(C)CCC1 Amb19893737 [0,1,0,0,1,0|1,1,0]=4 4241 B6R1.10 C[Si]1(Cl)CCC1 Amb22001053 [0,1,0,0,1,0|1,1,0]=4 4242 B6R1.10 ClC1(Br)CCC1 Amb28057578 [0,1,0,0,1,0|1,0,1]=4 4243 B6R1.10 ClC1(Cl)CCC1 Amb25773991 [0,1,0,0,1,0|1,0,1]=4 4244 B6R1.10 N=S1(=O)CCC1 Amb31308363 [0,1,0,0,1,0|1,0,0]=3 4245 B6R1.10 O=S1(=O)CCC1 Amb13883572 [0,1,0,0,1,0|1,0,0]=3 4246 B6R1.10 O=S1(=O)CCN1 Amb9196967 [0,1,0,0,1,0|2,0,0]=4 4247 B8R1.2 BrC=C1CCCCC1 Amb22337534 [0,1,0,0,0,1|2,0,0]=4 4248 B8R1.2 BrCC1=CCCCC1 Amb23439167 [0,1,0,0,0,1|2,0,0]=4 4249 B8R1.2 BrCC1=CCOCC1 Amb24483111 [0,1,0,0,0,1|1,1,0]=4 4250 B8R1.2 BrCC1CCCSC1 Amb28206709 [0,1,0,0,0,1|1,0,1]=4 4251 B8R1.2 BrCC1CCSCC1 Amb22011704 [0,1,0,0,0,1|1,0,1]=4 4252 B8R1.2 Br[Mg]C1CCSCC1 Amb32643926 [0,1,0,0,0,1|1,0,1]=4 4253 B8R1.2 Br\C=C1\CCCOC1 Amb32656912 [0,1,0,0,0,1|1,1,0]=4 4254 B8R1.2 C#CC1=CCCCC1 Amb1102053 [0,1,0,0,0,1|2,0,0]=4 4255 B8R1.2 C#CC1CCCSC1 Amb33169131 [0,1,0,0,0,1|1,0,1]=4 4256 B8R1.2 C#CC1CCSCC1 Amb27807476 [0,1,0,0,0,1|1,0,1]=4 4257 B8R1.2 C#CC1CSCCS1 Amb33168953 [0,1,0,0,0,1|1,0,1]=4 4258 B8R1.2 C=CC1=CCCCC1 Amb24387238 [0,1,0,0,0,1|2,0,0]=4 4259 B8R1.2 C=CC1=CCCNC1 Amb27173273 [0,1,0,0,0,1|2,0,0]=4 4260 B8R1.2 C=CC1CCCSC1 Amb26633444 [0,1,0,0,0,1|1,0,1]=4 4261 B8R1.2 C=NN1CCSCC1 Amb27481715 [0,1,0,0,0,1|2,0,0]=4 4262 B8R1.2 CC=C1CCCCC1 Amb8513433 [0,1,0,0,0,1|2,0,0]=4 4263 B8R1.2 CC=C1CCNCC1 Amb27188889 [0,1,0,0,0,1|2,0,0]=4 4264 B8R1.2 CC=C1CCOCC1 Amb27604314 [0,1,0,0,0,1|1,1,0]=4 4265 B8R1.2 CCC1=CCCCC1 Amb25337001 [0,1,0,0,0,1|2,0,0]=4 4266 B8R1.2 CCC1=CSCCN1 Amb27838422 [0,1,0,0,0,1|1,0,1]=4 4267 B8R1.2 CCC1CSCCN1 Amb18124338 [0,1,0,0,0,1|1,0,1]=4 4268 B8R1.2 CCN1CSCSC1 Amb22904326 [0,1,0,0,0,1|2,0,0]=4 4269 B8R1.2 CC[C@@H]1CSCCN1 Amb27201741 [0,1,0,0,0,1|1,0,1]=4 4270 B8R1.2 CC[C@H]1CSCCN1 Amb27861044 [0,1,0,0,0,1|1,0,1]=4 4271 B8R1.2 CN=C1CCCCC1 Amb27838980 [0,1,0,0,0,1|2,0,0]=4 4272 B8R1.2 CNC1=NCCCC1 Amb23570622 [0,1,0,0,0,1|2,0,0]=4 4273 B8R1.2 CNC1=NCCCC1 Amb28934861 [0,1,0,0,0,1|2,0,0]=4 4274 B8R1.2 CNC1CCCSC1 Amb18948508 [0,1,0,0,0,1|1,0,1]=4 4275 B8R1.2 CNC1CCCSC1 Amb24271087 [0,1,0,0,0,1|1,0,1]=4 4276 B8R1.2 CNC1CCSCC1 Amb21959663 [0,1,0,0,0,1|1,0,1]=4 4277 B8R1.2 CNC1CCSCC1 Amb22408761 [0,1,0,0,0,1|1,0,1]=4 4278 B8R1.2 CNC1CCSCC1 Amb9249050 [0,1,0,0,0,1|1,0,1]=4 4279 B8R1.2 COC1=CCCCC1 Amb10601667 [0,1,0,0,0,1|1,0,1]=4 4280 B8R1.2 COC1=CCNCC1 Amb27174213 [0,1,0,0,0,1|1,0,1]=4 4281 B8R1.2 COC1=CCOCC1 Amb21927983 [0,1,0,0,0,1|0,1,1]=4 4282 B8R1.2 COC1=NCCCC1 Amb2689803 [0,1,0,0,0,1|1,0,1]=4 4283 B8R1.2 COC1=NCCNC1 Amb33218461 [0,1,0,0,0,1|1,0,1]=4 4284 B8R1.2 COC1=NCCOC1 Amb25304653 [0,1,0,0,0,1|0,1,1]=4 4285 B8R1.2 COC1CSCSC1 Amb25869870 [0,1,0,0,0,1|0,0,2]=4 4286 B8R1.2 CSC1=CCCCC1 Amb28316123 [0,1,0,0,0,1|1,1,0]=4 4287 B8R1.2 CSC1=NCCSC1 Amb13883826 [0,1,0,0,0,1|0,1,0]=3 4288 B8R1.2 C\C=C1/CCCNC1 Amb31161500 [0,1,0,0,0,1|2,0,0]=4 4289 B8R1.2 ClCC1=CSCCO1 Amb27254189 [0,1,0,0,0,1|1,0,1]=4 4290 B8R1.2 ClCC1CCCSC1 Amb33223993 [0,1,0,0,0,1|1,0,1]=4 4291 B8R1.2 ClCC1CCSCC1 Amb35694770 [0,1,0,0,0,1|1,0,1]=4 4292 B8R1.2 ClCC1CSCCN1 Amb27444300 [0,1,0,0,0,1|1,0,1]=4 4293 B8R1.2 ClCC1CSCCS1 Amb27656405 [0,1,0,0,0,1|1,0,1]=4 4294 B8R1.2 ClN=C1CCCCC1 Amb25069376 [0,1,0,0,0,1|2,0,0]=4 4295 B8R1.2 Cl\C=C1\CCOCO1 Amb26566005 [0,1,0,0,0,1|1,1,0]=4 4296 B8R1.2 N#CC1=CCCCC1 Amb2720853 [0,1,0,0,0,1|2,0,0]=4 4297 B8R1.2 N#CC1=CCCNC1 Amb27838385 [0,1,0,0,0,1|2,0,0]=4 4298 B8R1.2 N#CC1=CCNCC1 Amb27220885 [0,1,0,0,0,1|2,0,0]=4 4299 B8R1.2 N#CC1=CCNCC1 Amb32701604 [0,1,0,0,0,1|2,0,0]=4 4300 B8R1.2 N#CC1=CCOCC1 Amb25277232 [0,1,0,0,0,1|1,1,0]=4 4301 B8R1.2 N#CC1CCCSC1 Amb25702736 [0,1,0,0,0,1|1,0,1]=4 4302 B8R1.2 N#CC1CCSCC1 Amb2724107 [0,1,0,0,0,1|1,0,1]=4 4303 B8R1.2 N#CC1CSCCN1 Amb24413578 [0,1,0,0,0,1|1,0,1]=4 4304 B8R1.2 N#CC1CSCCO1 Amb20622840 [0,1,0,0,0,1|1,0,1]=4 4305 B8R1.2 N#CC1CSCCS1 Amb2724273 [0,1,0,0,0,1|1,0,1]=4 4306 B8R1.2 N#CN1CCSCC1 Amb24397467 [0,1,0,0,0,1|2,0,0]=4 4307 B8R1.2 N#C[C@H]1CSCCN1 Amb27482004 [0,1,0,0,0,1|1,0,1]=4 4308 B8R1.2 NCC1=CCCCC1 Amb10607847 [0,1,0,0,0,1|2,0,0]=4 4309 B8R1.2 NCC1=CCCCC1 Amb22587029 [0,1,0,0,0,1|2,0,0]=4 4310 B8R1.2 NCC1=CCCOC1 Amb24329061 [0,1,0,0,0,1|1,1,0]=4 4311 B8R1.2 NCC1=CCCOC1 Amb28934826 [0,1,0,0,0,1|1,1,0]=4 4312 B8R1.2 NCC1=CCNCC1 Amb26942552 [0,1,0,0,0,1|2,0,0]=4 4313 B8R1.2 NCC1=CCNCC1 Amb33483617 [0,1,0,0,0,1|2,0,0]=4 4314 B8R1.2 NCC1=CCOCC1 Amb24608110 [0,1,0,0,0,1|1,1,0]=4 4315 B8R1.2 NCC1=CCOCC1 Amb28934924 [0,1,0,0,0,1|1,1,0]=4 4316 B8R1.2 NCC1CCCSC1 Amb18831922 [0,1,0,0,0,1|1,0,1]=4 4317 B8R1.2 NCC1CCSCC1 Amb18279249 [0,1,0,0,0,1|1,0,1]=4 4318 B8R1.2 NCC1CCSCC1 Amb6572257 [0,1,0,0,0,1|1,0,1]=4 4319 B8R1.2 NCC1CSCCN1 Amb33532858 [0,1,0,0,0,1|1,0,1]=4 4320 B8R1.2 NCC1CSCCO1 Amb27852369 [0,1,0,0,0,1|1,0,1]=4 4321 B8R1.2 NCC1CSCCS1 Amb20667611 [0,1,0,0,0,1|1,0,1]=4 4322 B8R1.2 NN=C1CCCCC1 Amb26080931 [0,1,0,0,0,1|2,0,0]=4 4323 B8R1.2 NN=C1CCSCC1 Amb27852358 [0,1,0,0,0,1|1,0,0]=3 4324 B8R1.2 NNC1=CCCCC1 Amb27880817 [0,1,0,0,0,1|2,0,0]=4 4325 B8R1.2 NNC1CCCSC1 Amb27800675 [0,1,0,0,0,1|1,0,1]=4 4326 B8R1.2 NNC1CCCSC1 Amb32680286 [0,1,0,0,0,1|1,0,1]=4 4327 B8R1.2 NNC1CCSCC1 Amb23412250 [0,1,0,0,0,1|1,0,1]=4 4328 B8R1.2 NNC1CCSCC1 Amb23412251 [0,1,0,0,0,1|1,0,1]=4 4329 B8R1.2 NNC1CCSCC1 Amb24077369 [0,1,0,0,0,1|1,0,1]=4 4330 B8R1.2 N\N=C1/COCCN1 Amb20667881 [0,1,0,0,0,1|1,1,0]=4 4331 B8R1.2 N\N=C1\CCCOC1 Amb27479462 [0,1,0,0,0,1|1,1,0]=4 4332 B8R1.2 N\N=C1\CCCSC1 Amb27407928 [0,1,0,0,0,1|1,0,0]=3 4333 B8R1.2 O=CC1=CC=CSC1 Amb28194907 [0,1,0,0,0,1|0,0,2]=4 4334 B8R1.2 O=CC1=CCCCC1 Amb33545149 [0,1,0,0,0,1|1,0,0]=3 4335 B8R1.2 O=CC1=CCCNC1 Amb27833007 [0,1,0,0,0,1|1,0,0]=3 4336 B8R1.2 O=CC1=CCCOC1 Amb1102766 [0,1,0,0,0,1|0,1,0]=3 4337 B8R1.2 O=CC1=CCCSC1 Amb18642670 [0,1,0,0,0,1|0,0,0]=2 4338 B8R1.2 O=CC1=CCOCC1 Amb18641683 [0,1,0,0,0,1|0,1,0]=3 4339 B8R1.2 O=CC1=COCCC1 Amb2433566 [0,1,0,0,0,1|0,1,1]=4 4340 B8R1.2 O=CC1=COCCO1 Amb2786548 [0,1,0,0,0,1|0,1,1]=4 4341 B8R1.2 O=CC1=CSCCC1 Amb28316147 [0,1,0,0,0,1|0,0,1]=3 4342 B8R1.2 O=CC1CC=CCC1 Amb3372080 [0,1,0,0,0,1|1,0,1]=4 4343 B8R1.2 O=CC1CC=CSC1 Amb27434846 [0,1,0,0,0,1|0,0,2]=4 4344 B8R1.2 O=CC1CCCCC1 Amb3939850 [0,1,0,0,0,1|1,0,1]=4 4345 B8R1.2 O=CC1CCCCN1 Amb20242687 [0,1,0,0,0,1|1,0,1]=4 4346 B8R1.2 O=CC1CCCCN1 Amb8384317 [0,1,0,0,0,1|1,0,1]=4 4347 B8R1.2 O=CC1CCCCO1 Amb8009759 [0,1,0,0,0,1|1,0,1]=4 4348 B8R1.2 O=CC1CCCCS1 Amb18642816 [0,1,0,0,0,1|1,0,1]=4 4349 B8R1.2 O=CC1CCCNC1 Amb18833063 [0,1,0,0,0,1|1,0,1]=4 4350 B8R1.2 O=CC1CCCOC1 Amb8009553 [0,1,0,0,0,1|0,1,1]=4 4351 B8R1.2 O=CC1CCCSC1 Amb18642817 [0,1,0,0,0,1|0,0,1]=3 4352 B8R1.2 O=CC1CCNCC1 Amb16232416 [0,1,0,0,0,1|1,0,1]=4 4353 B8R1.2 O=CC1CCNCC1 Amb8630349 [0,1,0,0,0,1|1,0,1]=4 4354 B8R1.2 O=CC1CCOCC1 Amb2683355 [0,1,0,0,0,1|0,1,1]=4 4355 B8R1.2 O=CC1CCSCC1 Amb2683357 [0,1,0,0,0,1|0,0,1]=3 4356 B8R1.2 O=CC1COCCN1 Amb18833023 [0,1,0,0,0,1|0,1,1]=4 4357 B8R1.2 O=CC1COCCO1 Amb8011456 [0,1,0,0,0,1|0,1,1]=4 4358 B8R1.2 O=CN1CCCCC1 Amb2720341 [0,1,0,0,0,1|2,0,0]=4 4359 B8R1.2 O=CN1CCNCC1 Amb1663437 [0,1,0,0,0,1|2,0,0]=4 4360 B8R1.2 O=CN1CCOCC1 Amb2720735 [0,1,0,0,0,1|1,1,0]=4 4361 B8R1.2 O=CN1CCSCC1 Amb28254656 [0,1,0,0,0,1|1,0,0]=3 4362 B8R1.2 O=C[C@@H]1CC=CCC1 Amb27966684 [0,1,0,0,0,1|1,0,1]=4 4363 B8R1.2 O=C[C@@H]1CCCCN1 Amb27468660 [0,1,0,0,0,1|1,0,1]=4 4364 B8R1.2 O=C[C@@H]1CCCOC1 Amb27843270 [0,1,0,0,0,1|0,1,1]=4 4365 B8R1.2 O=C[C@H]1CC=CCC1 Amb533150 [0,1,0,0,0,1|1,0,1]=4 4366 B8R1.2 O=C[C@H]1CCCCN1 Amb27203300 [0,1,0,0,0,1|1,0,1]=4 4367 B8R1.2 O=NN1CCCCC1 Amb10604043 [0,1,0,0,0,1|2,0,0]=4 4368 B8R1.2 O=NN1CCCCO1 Amb27472845 [0,1,0,0,0,1|2,0,0]=4 4369 B8R1.2 O=NN1CCCOC1 Amb26515732 [0,1,0,0,0,1|1,1,0]=4 4370 B8R1.2 O=NN1CCNCC1 Amb10976905 [0,1,0,0,0,1|2,0,0]=4 4371 B8R1.2 O=NN1CCOCC1 Amb8630843 [0,1,0,0,0,1|1,1,0]=4 4372 B8R1.2 O=NN1CCSCC1 Amb28340927 [0,1,0,0,0,1|1,0,0]=3 4373 B8R1.2 OCC1=CCCCC1 Amb24122911 [0,1,0,0,0,1|1,0,1]=4 4374 B8R1.2 OCC1=CCCOC1 Amb24329074 [0,1,0,0,0,1|0,1,1]=4 4375 B8R1.2 OCC1=CCOCC1 Amb27394889 [0,1,0,0,0,1|0,1,1]=4 4376 B8R1.2 OCC1=CCSCC1 Amb28189541 [0,1,0,0,0,1|0,0,1]=3 4377 B8R1.2 OCC1=CSCCS1 Amb27766515 [0,1,0,0,0,1|0,0,2]=4 4378 B8R1.2 OCC1CCCSC1 Amb18202835 [0,1,0,0,0,1|0,0,2]=4 4379 B8R1.2 OCC1CCSCC1 Amb7990078 [0,1,0,0,0,1|0,0,2]=4 4380 B8R1.2 OCC1CCSCN1 Amb27216503 [0,1,0,0,0,1|0,0,2]=4 4381 B8R1.2 OCC1CSCCN1 Amb4009237 [0,1,0,0,0,1|0,0,2]=4 4382 B8R1.2 ON=C1CCCCC1 Amb6364727 [0,1,0,0,0,1|1,0,1]=4 4383 B8R1.2 ON=C1CCNCC1 Amb16226328 [0,1,0,0,0,1|1,0,1]=4 4384 B8R1.2 ON=C1CCOCC1 Amb9173664 [0,1,0,0,0,1|0,1,1]=4 4385 B8R1.2 ON=C1CCSCC1 Amb2445012 [0,1,0,0,0,1|0,0,1]=3 4386 B8R1.2 ONC1=NCCOC1 Amb27962415 [0,1,0,0,0,1|0,1,1]=4 4387 B8R1.2 ONC1=NCCOC1 Amb33309983 [0,1,0,0,0,1|0,1,1]=4 4388 B8R1.2 O\N=C1/CNCCS1 Amb27838324 [0,1,0,0,0,1|1,0,1]=4 4389 B8R1.2 O\N=C1\CCCCN1 Amb4136429 [0,1,0,0,0,1|1,0,1]=4 4390 B8R1.2 SCC1=CCCOC1 Amb32788343 [0,1,0,0,0,1|0,2,0]=4 4391 B8R1.2 SCC1CCCSC1 Amb32788278 [0,1,0,0,0,1|0,1,1]=4 4392 B8R1.2 SCC1CSCCN1 Amb27811622 [0,1,0,0,0,1|0,1,1]=4 4393 B8R1.2 [C-]#[N+]C1=CCCCC1 Amb10603087 [0,1,0,0,0,1|2,0,0]=4 4394 B8R1.2 [C-]#[N+]C1CCCSC1 Amb32726266 [0,1,0,0,0,1|1,0,1]=4 4395 B8R1.3 C=C1CCC(=C)CC1 Amb22227744 [0,1,0,0,0,1|2,0,0]=4 4396 B8R1.3 C=C1CCC(=O)CC1 Amb22229828 [0,1,0,0,0,1|1,0,0]=3 4397 B8R1.3 C=C1CCC(C)CC1 Amb24058250 [0,1,0,0,0,1|2,0,0]=4 4398 B8R1.3 C=C1CCC(C)NC1 Amb27626150 [0,1,0,0,0,1|2,0,0]=4 4399 B8R1.3 C=C1CCC(C)OC1 Amb30011003 [0,1,0,0,0,1|1,1,0]=4 4400 B8R1.3 C=C1CCC(C)SC1 Amb35611382 [0,1,0,0,0,1|1,0,0]=3 4401 B8R1.3 C=C1CCC(N)CC1 Amb23599023 [0,1,0,0,0,1|2,0,0]=4 4402 B8R1.3 C=C1CCC(N)CC1 Amb33537570 [0,1,0,0,0,1|2,0,0]=4 4403 B8R1.3 C=C1CCC(O)CC1 Amb27603595 [0,1,0,0,0,1|2,0,0]=4 4404 B8R1.3 C=C1CCN(C)CC1 Amb19514532 [0,1,0,0,0,1|2,0,0]=4 4405 B8R1.3 CC1=CCC(=O)CC1 Amb17617292 [0,1,0,0,0,1|1,0,0]=3 4406 B8R1.3 CC1=CCC(C)CC1 Amb26354597 [0,1,0,0,0,1|2,0,0]=4 4407 B8R1.3 CC1=CC[C@@H](N)CC1 Amb27493017 [0,1,0,0,0,1|2,0,0]=4 4408 B8R1.3 CC1=CC[C@H](N)CC1 Amb28365931 [0,1,0,0,0,1|2,0,0]=4 4409 B8R1.3 CC1=NNC(=O)CC1 Amb2606146 [0,1,0,0,0,1|2,0,0]=4 4410 B8R1.3 CC1C=CC(=O)CC1 Amb24556470 [0,1,0,0,0,1|1,0,1]=4 4411 B8R1.3 CC1CC=C(Cl)CC1 Amb27783557 [0,1,0,0,0,1|2,0,0]=4 4412 B8R1.3 CC1CCC(=O)CC1 Amb6608654 [0,1,0,0,0,1|1,0,0]=3 4413 B8R1.3 CC1CCC(=O)CN1 Amb26979747 [0,1,0,0,0,1|1,0,0]=3 4414 B8R1.3 CC1CCC(=O)CN1 Amb32686523 [0,1,0,0,0,1|1,0,0]=3 4415 B8R1.3 CC1CCC(=O)CO1 Amb22491005 [0,1,0,0,0,1|0,1,0]=3 4416 B8R1.3 CC1CCC(=O)CS1 Amb23568547 [0,1,0,0,0,1|0,0,0]=2 4417 B8R1.3 CC1CCC(=O)NC1 Amb13952062 [0,1,0,0,0,1|1,0,0]=3 4418 B8R1.3 CC1CCC(=O)NN1 Amb27443930 [0,1,0,0,0,1|2,0,0]=4 4419 B8R1.3 CC1CCC(=O)OC1 Amb27667524 [0,1,0,0,0,1|1,0,0]=3 4420 B8R1.3 CC1CCC(Br)CS1 Amb24468519 [0,1,0,0,0,1|1,0,1]=4 4421 B8R1.3 CC1CCC(S)CS1 Amb32788249 [0,1,0,0,0,1|0,1,1]=4 4422 B8R1.3 CC1CNC(=O)CN1 Amb18833035 [0,1,0,0,0,1|1,0,0]=3 4423 B8R1.3 CC1CNC(=O)CN1 Amb34912937 [0,1,0,0,0,1|1,0,0]=3 4424 B8R1.3 CC1CNC(=O)CO1 Amb22371080 [0,1,0,0,0,1|0,1,0]=3 4425 B8R1.3 CC1CSC(C)CN1 Amb27409515 [0,1,0,0,0,1|1,0,1]=4 4426 B8R1.3 CC1OCC(=O)CO1 Amb28316125 [0,1,0,0,0,1|0,1,0]=3 4427 B8R1.3 CN1C=CC(=O)CC1 Amb17593148 [0,1,0,0,0,1|1,0,1]=4 4428 B8R1.3 CN1CC=C(Br)CC1 Amb22728686 [0,1,0,0,0,1|2,0,0]=4 4429 B8R1.3 CN1CC=C(I)CC1 Amb27879736 [0,1,0,0,0,1|2,0,0]=4 4430 B8R1.3 CN1CCC(=O)CC1 Amb2725656 [0,1,0,0,0,1|1,0,0]=3 4431 B8R1.3 CN1CCC(=S)CC1 Amb27830961 [0,1,0,0,0,1|1,1,0]=4 4432 B8R1.3 C[C@@H]1C=CC(=O)CC1 Amb28144188 [0,1,0,0,0,1|1,0,1]=4 4433 B8R1.3 C[C@@H]1CCC(=N)NC1 Amb27429397 [0,1,0,0,0,1|2,0,0]=4 4434 B8R1.3 C[C@@H]1CCC(=O)CN1 Amb24481509 [0,1,0,0,0,1|1,0,0]=3 4435 B8R1.3 C[C@@H]1CCC(=O)OC1 Amb26004046 [0,1,0,0,0,1|1,0,0]=3 4436 B8R1.3 C[C@@H]1CNC(=O)CN1 Amb22411475 [0,1,0,0,0,1|1,0,0]=3 4437 B8R1.3 C[C@@H]1CNC(=O)CN1 Amb22587592 [0,1,0,0,0,1|1,0,0]=3 4438 B8R1.3 C[C@@H]1CNC(=O)CO1 Amb27470503 [0,1,0,0,0,1|0,1,0]=3 4439 B8R1.3 C[C@H]1CCC(=O)NC1 Amb27838374 [0,1,0,0,0,1|1,0,0]=3 4440 B8R1.3 C[C@H]1CNC(=O)CN1 Amb22411525 [0,1,0,0,0,1|1,0,0]=3 4441 B8R1.3 C[C@H]1CNC(=O)CN1 Amb22586634 [0,1,0,0,0,1|1,0,0]=3 4442 B8R1.3 C[C@H]1CNC(=O)CO1 Amb24589385 [0,1,0,0,0,1|0,1,0]=3 4443 B8R1.3 NC1CCC(=O)CC1 Amb10067105 [0,1,0,0,0,1|1,0,0]=3 4444 B8R1.3 NC1CCC(=O)CC1 Amb21862513 [0,1,0,0,0,1|1,0,0]=3 4445 B8R1.3 NC1CCC(=O)NC1 Amb13952208 [0,1,0,0,0,1|1,0,0]=3 4446 B8R1.3 NC1CCC(=O)NC1 Amb18833034 [0,1,0,0,0,1|1,0,0]=3 4447 B8R1.3 NC1CCS(=O)CC1 Amb18943776 [0,1,0,0,0,1|2,0,0]=4 4448 B8R1.3 NC1CCS(=O)CC1 Amb21988665 [0,1,0,0,0,1|2,0,0]=4 4449 B8R1.3 N[C@@H]1CCC(=O)NC1 Amb2699221 [0,1,0,0,0,1|1,0,0]=3 4450 B8R1.3 N[C@@H]1CCC(=O)NC1 Amb27432343 [0,1,0,0,0,1|1,0,0]=3 4451 B8R1.3 N[C@H]1CCC(=O)NC1 Amb22748949 [0,1,0,0,0,1|1,0,0]=3 4452 B8R1.3 N[C@H]1CCC(=O)NC1 Amb2699220 [0,1,0,0,0,1|1,0,0]=3 4453 B8R1.3 O=C1C=CC(O)CC1 Amb28048996 [0,1,0,0,0,1|1,0,1]=4 4454 B8R1.3 O=C1C=CC(O)OC1 Amb17593180 [0,1,0,0,0,1|0,1,1]=4 4455 B8R1.3 O=C1C=CS(=O)CC1 Amb27948688 [0,1,0,0,0,1|0,0,2]=4 4456 B8R1.3 O=C1CCC(=O)CC1 Amb6471902 [0,1,0,0,0,1|1,0,0]=3 4457 B8R1.3 O=C1CCC(=O)NC1 Amb15692796 [0,1,0,0,0,1|1,0,0]=3 4458 B8R1.3 O=C1CCC(=O)NN1 Amb22365926 [0,1,0,0,0,1|2,0,0]=4 4459 B8R1.3 O=C1CCC(=O)OC1 Amb26404271 [0,1,0,0,0,1|0,1,0]=3 4460 B8R1.3 O=C1CCC(Br)CC1 Amb28342260 [0,1,0,0,0,1|1,0,0]=3 4461 B8R1.3 O=C1CCC(Cl)CC1 Amb26585218 [0,1,0,0,0,1|1,0,0]=3 4462 B8R1.3 O=C1CCC(F)CC1 Amb20671078 [0,1,0,0,0,1|1,0,0]=3 4463 B8R1.3 O=C1CCC(I)CC1 Amb27232393 [0,1,0,0,0,1|1,0,0]=3 4464 B8R1.3 O=C1CCC(O)CC1 Amb2699831 [0,1,0,0,0,1|1,0,0]=3 4465 B8R1.3 O=C1CCC(O)CN1 Amb10066907 [0,1,0,0,0,1|1,0,0]=3 4466 B8R1.3 O=C1CCC(O)CO1 Amb26345105 [0,1,0,0,0,1|1,0,0]=3 4467 B8R1.3 O=C1CCN(Cl)CC1 Amb27430526 [0,1,0,0,0,1|1,0,0]=3 4468 B8R1.3 O=C1CCS(=O)CC1 Amb2612398 [0,1,0,0,0,1|0,0,1]=3 4469 B8R1.3 O=C1CC[C@@H](O)CN1 Amb2698033 [0,1,0,0,0,1|1,0,0]=3 4470 B8R1.3 O=C1CC[C@H](O)CN1 Amb2698032 [0,1,0,0,0,1|1,0,0]=3 4471 B8R1.3 O=C1CNC(=O)CN1 Amb1011605 [0,1,0,0,0,1|1,0,1]=4 4472 B8R1.3 O=C1COC(=O)CN1 Amb2612815 [0,1,0,0,0,1|0,1,1]=4 4473 B8R1.3 O=C1COC(=O)CO1 Amb2725557 [0,1,0,0,0,1|0,1,1]=4 4474 B8R1.3 O=C1CSC(=O)SC1 Amb28074747 [0,1,0,0,0,1|0,0,1]=3 4475 B8R1.3 O=C1NCC(O)CN1 Amb19516674 [0,1,0,0,0,1|2,0,0]=4 4476 B8R1.3 O=C1NCC(O)CO1 Amb27210928 [0,1,0,0,0,1|2,0,0]=4 4477 B8R1.3 O=S1CCC(Cl)CC1 Amb21988466 [0,1,0,0,0,1|2,0,0]=4 4478 B8R1.3 O=S1CCC(O)CC1 Amb21988465 [0,1,0,0,0,1|2,0,0]=4 4479 B8R1.3 O=S1CCC(S)CC1 Amb32788878 [0,1,0,0,0,1|2,0,0]=4 4480 B8R1.3 OC1CCC(O)SC1 Amb27472799 [0,1,0,0,0,1|0,0,2]=4 4481 B8R1.3 OC1CSC(O)CS1 Amb9703079 [0,1,0,0,0,1|0,0,2]=4 4482 B8R1.3 OC1CSC(O)SC1 Amb28455231 [0,1,0,0,0,1|0,0,2]=4 4483 B8R1.4 C=C1CCCC(=C)C1 Amb17940138 [0,1,0,0,0,1|2,0,0]=4 4484 B8R1.4 C=C1CCCC(=O)C1 Amb28132034 [0,1,0,0,0,1|1,0,0]=3 4485 B8R1.4 C=C1CCNC(C)C1 Amb29849450 [0,1,0,0,0,1|2,0,0]=4 4486 B8R1.4 C=C1CCOC(C)C1 Amb25235098 [0,1,0,0,0,1|1,1,0]=4 4487 B8R1.4 C=C1CNCC(C)C1 Amb35719512 [0,1,0,0,0,1|2,0,0]=4 4488 B8R1.4 C=C1COCC(O)C1 Amb27484750 [0,1,0,0,0,1|1,1,0]=4 4489 B8R1.4 CC1=CC(=O)CCC1 Amb17776565 [0,1,0,0,0,1|1,0,1]=4 4490 B8R1.4 CC1=CC(=O)CSC1 Amb28316129 [0,1,0,0,0,1|0,0,1]=3 4491 B8R1.4 CC1=CC(=O)NCC1 Amb27170325 [0,1,0,0,0,1|1,0,1]=4 4492 B8R1.4 CC1=CC(C)CCC1 Amb26410159 [0,1,0,0,0,1|2,0,0]=4 4493 B8R1.4 CC1=CC(C)CNC1 Amb25757457 [0,1,0,0,0,1|2,0,0]=4 4494 B8R1.4 CC1=CC(C)CNC1 Amb28934871 [0,1,0,0,0,1|2,0,0]=4 4495 B8R1.4 CC1=CC(C)OCC1 Amb17689157 [0,1,0,0,0,1|1,1,0]=4 4496 B8R1.4 CC1=CC(Cl)CCC1 Amb27860262 [0,1,0,0,0,1|2,0,0]=4 4497 B8R1.4 CC1=CC(Cl)CNC1 Amb32989055 [0,1,0,0,0,1|2,0,0]=4 4498 B8R1.4 CC1=CC(N)CNC1 Amb32989560 [0,1,0,0,0,1|2,0,0]=4 4499 B8R1.4 CC1=CC(O)CCC1 Amb10844732 [0,1,0,0,0,1|2,0,0]=4 4500 B8R1.4 CC1=CC(O)CNC1 Amb32989170 [0,1,0,0,0,1|2,0,0]=4 4501 B8R1.4 CC1=CCCC(=O)C1 Amb27661853 [0,1,0,0,0,1|1,0,0]=3 4502 B8R1.4 CC1=CCCC(=O)N1 Amb27949580 [0,1,0,0,0,1|1,0,1]=4 4503 B8R1.4 CC1=CCCC(=O)O1 Amb21520320 [0,1,0,0,0,1|1,0,1]=4 4504 B8R1.4 CC1=CSCC(=O)N1 Amb2386684 [0,1,0,0,0,1|0,0,2]=4 4505 B8R1.4 CC1=C[C@@H](O)CCC1 Amb27466476 [0,1,0,0,0,1|2,0,0]=4 4506 B8R1.4 CC1=NC(=O)CCC1 Amb28239945 [0,1,0,0,0,1|1,0,1]=4 4507 B8R1.4 CC1=NC(C)CCC1 Amb27589065 [0,1,0,0,0,1|2,0,0]=4 4508 B8R1.4 CC1CC(=O)C=CN1 Amb28423365 [0,1,0,0,0,1|1,0,1]=4 4509 B8R1.4 CC1CC(=O)C=CO1 Amb25173826 [0,1,0,0,0,1|0,1,1]=4 4510 B8R1.4 CC1CC(=O)CCN1 Amb1087926 [0,1,0,0,0,1|1,0,0]=3 4511 B8R1.4 CC1CC(=O)CCN1 Amb19515809 [0,1,0,0,0,1|1,0,0]=3 4512 B8R1.4 CC1CC(=O)CCN1 Amb30585094 [0,1,0,0,0,1|1,0,0]=3 4513 B8R1.4 CC1CC(=O)CCO1 Amb18833037 [0,1,0,0,0,1|0,1,0]=3 4514 B8R1.4 CC1CC(=O)CCS1 Amb27256424 [0,1,0,0,0,1|0,0,0]=2 4515 B8R1.4 CC1CC(N)CCS1 Amb18642861 [0,1,0,0,0,1|1,0,1]=4 4516 B8R1.4 CC1CC=CC(=O)C1 Amb4034490 [0,1,0,0,0,1|1,0,1]=4 4517 B8R1.4 CC1CC=CC(=O)N1 Amb27788159 [0,1,0,0,0,1|1,0,1]=4 4518 B8R1.4 CC1CC=CC(=O)O1 Amb22173905 [0,1,0,0,0,1|1,0,1]=4 4519 B8R1.4 CC1CCCC(=O)C1 Amb1151295 [0,1,0,0,0,1|1,0,0]=3 4520 B8R1.4 CC1CCCC(=O)N1 Amb22372271 [0,1,0,0,0,1|1,0,0]=3 4521 B8R1.4 CC1CCCC(=O)O1 Amb19405726 [0,1,0,0,0,1|1,0,0]=3 4522 B8R1.4 CC1CCNC(=O)C1 Amb20668125 [0,1,0,0,0,1|1,0,0]=3 4523 B8R1.4 CC1CCNC(=O)N1 Amb27193730 [0,1,0,0,0,1|2,0,0]=4 4524 B8R1.4 CC1CCOC(=O)N1 Amb27655650 [0,1,0,0,0,1|2,0,0]=4 4525 B8R1.4 CC1CCOC(=O)O1 Amb33714707 [0,1,0,0,0,1|2,0,0]=4 4526 B8R1.4 CC1CNCC(=O)C1 Amb26048394 [0,1,0,0,0,1|1,0,0]=3 4527 B8R1.4 CC1CNCC(=O)C1 Amb33494302 [0,1,0,0,0,1|1,0,0]=3 4528 B8R1.4 CC1CNCC(=O)N1 Amb22587525 [0,1,0,0,0,1|1,0,0]=3 4529 B8R1.4 CC1CNCC(=O)N1 Amb32410668 [0,1,0,0,0,1|1,0,0]=3 4530 B8R1.4 CC1CNNC(=O)C1 Amb27800916 [0,1,0,0,0,1|2,0,0]=4 4531 B8R1.4 CC1COCC(=O)N1 Amb10608100 [0,1,0,0,0,1|0,1,0]=3 4532 B8R1.4 CC1CS(=O)CCN1 Amb18124392 [0,1,0,0,0,1|2,0,0]=4 4533 B8R1.4 CC1CSCC(C)N1 Amb18642862 [0,1,0,0,0,1|1,0,1]=4 4534 B8R1.4 CC1CSCC(C)N1 Amb20622324 [0,1,0,0,0,1|1,0,1]=4 4535 B8R1.4 CC1CSCC(C)O1 Amb4016354 [0,1,0,0,0,1|1,0,1]=4 4536 B8R1.4 CC1NCCC(=O)N1 Amb32418334 [0,1,0,0,0,1|1,0,0]=3 4537 B8R1.4 CN1CC=CC(=O)C1 Amb27186211 [0,1,0,0,0,1|1,0,1]=4 4538 B8R1.4 CN1CCC=C(Br)C1 Amb10975875 [0,1,0,0,0,1|2,0,0]=4 4539 B8R1.4 CN1CCC=C(Br)C1 Amb13888761 [0,1,0,0,0,1|2,0,0]=4 4540 B8R1.4 CN1CCCC(=O)C1 Amb10602467 [0,1,0,0,0,1|1,0,0]=3 4541 B8R1.4 CN1CCCC(=O)C1 Amb22304741 [0,1,0,0,0,1|1,0,0]=3 4542 B8R1.4 CN1CCCC(=O)C1 Amb31204623 [0,1,0,0,0,1|1,0,0]=3 4543 B8R1.4 CN1CCNC(=O)C1 Amb19958159 [0,1,0,0,0,1|1,0,0]=3 4544 B8R1.4 CN1CCOC(=O)C1 Amb21963307 [0,1,0,0,0,1|1,0,0]=3 4545 B8R1.4 CN1CCOC(=O)C1 Amb22491652 [0,1,0,0,0,1|1,0,0]=3 4546 B8R1.4 C[C@@H]1CC(=O)C=CO1 Amb22748948 [0,1,0,0,0,1|0,1,1]=4 4547 B8R1.4 C[C@@H]1CC(=O)CCN1 Amb22748911 [0,1,0,0,0,1|1,0,0]=3 4548 B8R1.4 C[C@@H]1CC(=O)CCN1 Amb23439312 [0,1,0,0,0,1|1,0,0]=3 4549 B8R1.4 C[C@@H]1CC(=O)CCN1 Amb27593729 [0,1,0,0,0,1|1,0,0]=3 4550 B8R1.4 C[C@@H]1CC(=O)CCO1 Amb23440042 [0,1,0,0,0,1|0,1,0]=3 4551 B8R1.4 C[C@@H]1CC=CC(=O)C1 Amb27762503 [0,1,0,0,0,1|1,0,1]=4 4552 B8R1.4 C[C@@H]1CCCC(=O)C1 Amb21618704 [0,1,0,0,0,1|1,0,0]=3 4553 B8R1.4 C[C@@H]1CCCC(=O)N1 Amb25772093 [0,1,0,0,0,1|1,0,0]=3 4554 B8R1.4 C[C@@H]1CCCC(=O)O1 Amb4166295 [0,1,0,0,0,1|1,0,0]=3 4555 B8R1.4 C[C@@H]1CNCC(=O)N1 Amb22504491 [0,1,0,0,0,1|1,0,0]=3 4556 B8R1.4 C[C@@H]1CNCC(=O)N1 Amb22748720 [0,1,0,0,0,1|1,0,0]=3 4557 B8R1.4 C[C@@H]1COCC(=O)N1 Amb15693112 [0,1,0,0,0,1|0,1,0]=3 4558 B8R1.4 C[C@H]1CC(=O)C=CO1 Amb24483279 [0,1,0,0,0,1|0,1,1]=4 4559 B8R1.4 C[C@H]1CC(=O)CCN1 Amb22406027 [0,1,0,0,0,1|1,0,0]=3 4560 B8R1.4 C[C@H]1CC(=O)CCN1 Amb28072876 [0,1,0,0,0,1|1,0,0]=3 4561 B8R1.4 C[C@H]1CC(=O)CCN1 Amb33801725 [0,1,0,0,0,1|1,0,0]=3 4562 B8R1.4 C[C@H]1CC(=O)CCO1 Amb27969730 [0,1,0,0,0,1|0,1,0]=3 4563 B8R1.4 C[C@H]1CC=CC(=O)O1 Amb24584842 [0,1,0,0,0,1|1,0,1]=4 4564 B8R1.4 C[C@H]1CCCC(=O)C1 Amb22799724 [0,1,0,0,0,1|1,0,0]=3 4565 B8R1.4 C[C@H]1CCCC(=O)O1 Amb26865751 [0,1,0,0,0,1|1,0,0]=3 4566 B8R1.4 C[C@H]1CCNC(=O)C1 Amb25739591 [0,1,0,0,0,1|1,0,0]=3 4567 B8R1.4 C[C@H]1CNCC(=O)N1 Amb22304821 [0,1,0,0,0,1|1,0,0]=3 4568 B8R1.4 C[C@H]1CNCC(=O)N1 Amb23385344 [0,1,0,0,0,1|1,0,0]=3 4569 B8R1.4 C[C@H]1COCC(=O)N1 Amb22232054 [0,1,0,0,0,1|0,1,0]=3 4570 B8R1.4 C[C@H]1CS(=O)CCN1 Amb27866032 [0,1,0,0,0,1|2,0,0]=4 4571 B8R1.4 Cl[C@H]1CSC[C@@H](Cl)O1 Amb27650655 [0,1,0,0,0,1|1,0,1]=4 4572 B8R1.4 N=C1CCSC(=O)N1 Amb28434696 [0,1,0,0,0,1|1,0,1]=4 4573 B8R1.4 N=C1NC(=O)CCS1 Amb24666714 [0,1,0,0,0,1|0,0,1]=3 4574 B8R1.4 NC1=CC(=O)CCC1 Amb1151335 [0,1,0,0,0,1|1,0,1]=4 4575 B8R1.4 NC1=CC(=O)COC1 Amb25785409 [0,1,0,0,0,1|0,1,1]=4 4576 B8R1.4 NC1=CC(=O)CSC1 Amb28066865 [0,1,0,0,0,1|0,0,1]=3 4577 B8R1.4 NC1=CC(=O)NCC1 Amb22229455 [0,1,0,0,0,1|1,0,1]=4 4578 B8R1.4 NC1=CC(O)CCC1 Amb28127332 [0,1,0,0,0,1|2,0,0]=4 4579 B8R1.4 NC1CCCC(=O)C1 Amb23440459 [0,1,0,0,0,1|1,0,0]=3 4580 B8R1.4 NC1CCCC(=O)C1 Amb8387391 [0,1,0,0,0,1|1,0,0]=3 4581 B8R1.4 NC1CCNC(=O)C1 Amb10067177 [0,1,0,0,0,1|1,0,0]=3 4582 B8R1.4 NC1CCNC(=O)C1 Amb19957631 [0,1,0,0,0,1|1,0,0]=3 4583 B8R1.4 NC1CCNC(=O)C1 Amb21960626 [0,1,0,0,0,1|1,0,0]=3 4584 B8R1.4 NC1COCC(=O)C1 Amb33623050 [0,1,0,0,0,1|0,1,0]=3 4585 B8R1.4 NC1COCC(=O)C1 Amb33716160 [0,1,0,0,0,1|0,1,0]=3 4586 B8R1.4 NC1CSCC(N)S1 Amb27590947 [0,1,0,0,0,1|1,0,1]=4 4587 B8R1.4 N[C@@H]1CCCS(=O)C1 Amb25168909 [0,1,0,0,0,1|2,0,0]=4 4588 B8R1.4 N[C@@H]1CCNC(=O)C1 Amb27489147 [0,1,0,0,0,1|1,0,0]=3 4589 B8R1.4 N[C@H]1CCCS(=O)C1 Amb27838286 [0,1,0,0,0,1|2,0,0]=4 4590 B8R1.4 N[C@H]1CCNC(=O)C1 Amb25168718 [0,1,0,0,0,1|1,0,0]=3 4591 B8R1.4 O=C1C=C(Br)CCC1 Amb33542768 [0,1,0,0,0,1|1,0,1]=4 4592 B8R1.4 O=C1C=C(Br)CCN1 Amb23402186 [0,1,0,0,0,1|1,0,1]=4 4593 B8R1.4 O=C1C=C(Cl)CCC1 Amb2697044 [0,1,0,0,0,1|1,0,1]=4 4594 B8R1.4 O=C1C=C(I)CCC1 Amb25706767 [0,1,0,0,0,1|1,0,1]=4 4595 B8R1.4 O=C1C=C(O)CCC1 Amb17844413 [0,1,0,0,0,1|1,0,1]=4 4596 B8R1.4 O=C1C=C(O)COC1 Amb28048998 [0,1,0,0,0,1|0,1,1]=4 4597 B8R1.4 O=C1C=CCC(O)C1 Amb27227199 [0,1,0,0,0,1|1,0,1]=4 4598 B8R1.4 O=C1C=[N+]([O-])CCC1 Amb27751417 [0,1,0,0,0,1|1,0,1]=4 4599 B8R1.4 O=C1CC(=O)NCN1 Amb27949946 [0,1,0,0,0,1|1,0,1]=4 4600 B8R1.4 O=C1CC(F)CCN1 Amb27459538 [0,1,0,0,0,1|1,0,0]=3 4601 B8R1.4 O=C1CC(O)CCN1 Amb10602744 [0,1,0,0,0,1|1,0,0]=3 4602 B8R1.4 O=C1CC(S)NCN1 Amb28245543 [0,1,0,0,0,1|1,0,0]=3 4603 B8R1.4 O=C1CCCC(=O)C1 Amb932798 [0,1,0,0,0,1|1,0,0]=3 4604 B8R1.4 O=C1CCCC(=O)N1 Amb8386485 [0,1,0,0,0,1|1,0,1]=4 4605 B8R1.4 O=C1CCCC(=O)O1 Amb6608952 [0,1,0,0,0,1|1,0,1]=4 4606 B8R1.4 O=C1CCCC(=O)S1 Amb27849467 [0,1,0,0,0,1|1,0,1]=4 4607 B8R1.4 O=C1CCCC(Br)C1 Amb27850962 [0,1,0,0,0,1|1,0,0]=3 4608 B8R1.4 O=C1CCCC(Cl)C1 Amb26946112 [0,1,0,0,0,1|1,0,0]=3 4609 B8R1.4 O=C1CCCC(Cl)N1 Amb28423467 [0,1,0,0,0,1|1,0,0]=3 4610 B8R1.4 O=C1CCCC(F)C1 Amb24578309 [0,1,0,0,0,1|1,0,0]=3 4611 B8R1.4 O=C1CCCC(I)C1 Amb24436778 [0,1,0,0,0,1|1,0,0]=3 4612 B8R1.4 O=C1CCCC(O)C1 Amb22754759 [0,1,0,0,0,1|1,0,0]=3 4613 B8R1.4 O=C1CCCC(O)N1 Amb26394230 [0,1,0,0,0,1|1,0,0]=3 4614 B8R1.4 O=C1CCC[C@@H](O)C1 Amb25320136 [0,1,0,0,0,1|1,0,0]=3 4615 B8R1.4 O=C1CCC[C@H](O)C1 Amb27432456 [0,1,0,0,0,1|1,0,0]=3 4616 B8R1.4 O=C1CCNC(=O)C1 Amb10602544 [0,1,0,0,0,1|1,0,0]=3 4617 B8R1.4 O=C1CCNC(=O)N1 Amb1042477 [0,1,0,0,0,1|1,0,1]=4 4618 B8R1.4 O=C1CCNC(=O)O1 Amb22011553 [0,1,0,0,0,1|1,0,1]=4 4619 B8R1.4 O=C1CCNC(=O)S1 Amb27786235 [0,1,0,0,0,1|1,0,1]=4 4620 B8R1.4 O=C1CCOC(=O)C1 Amb26459895 [0,1,0,0,0,1|0,1,0]=3 4621 B8R1.4 O=C1CCSC(=O)N1 Amb1150323 [0,1,0,0,0,1|0,0,1]=3 4622 B8R1.4 O=C1CNCC(=O)C1 Amb26464137 [0,1,0,0,0,1|1,0,0]=3 4623 B8R1.4 O=C1CNCC(=O)N1 Amb18641768 [0,1,0,0,0,1|1,0,1]=4 4624 B8R1.4 O=C1CNCC(=O)N1 Amb19148314 [0,1,0,0,0,1|1,0,1]=4 4625 B8R1.4 O=C1CNCC(=O)S1 Amb27390859 [0,1,0,0,0,1|1,0,1]=4 4626 B8R1.4 O=C1COCC(=O)C1 Amb8392404 [0,1,0,0,0,1|0,1,0]=3 4627 B8R1.4 O=C1COCC(=O)N1 Amb10808497 [0,1,0,0,0,1|0,1,1]=4 4628 B8R1.4 O=C1COCC(=O)O1 Amb1214326 [0,1,0,0,0,1|0,1,1]=4 4629 B8R1.4 O=C1CS(=O)CCN1 Amb27184590 [0,1,0,0,0,1|0,0,1]=3 4630 B8R1.4 O=C1CSCC(=O)C1 Amb2499999 [0,1,0,0,0,1|0,0,0]=2 4631 B8R1.4 O=C1CSCC(=O)N1 Amb7173003 [0,1,0,0,0,1|0,0,1]=3 4632 B8R1.4 O=C1CSCC(=O)O1 Amb2725405 [0,1,0,0,0,1|0,0,1]=3 4633 B8R1.4 O=C1C[C@@H](O)CCN1 Amb22744924 [0,1,0,0,0,1|1,0,0]=3 4634 B8R1.4 O=C1C[C@H](O)CCN1 Amb17845212 [0,1,0,0,0,1|1,0,0]=3 4635 B8R1.4 O=C1NC(=S)CCS1 Amb2470197 [0,1,0,0,0,1|0,1,1]=4 4636 B8R1.4 O=S1CCCC(Br)C1 Amb26370333 [0,1,0,0,0,1|2,0,0]=4 4637 B8R1.4 O=S1CCCC(Cl)C1 Amb27876412 [0,1,0,0,0,1|2,0,0]=4 4638 B8R1.4 O=S1CCCC(O)C1 Amb26354128 [0,1,0,0,0,1|2,0,0]=4 4639 B8R1.4 O=S1CCCS(=O)C1 Amb22363746 [0,1,0,0,0,1|1,0,1]=4 4640 B8R1.4 O=S1CCC[C@H](O)C1 Amb28206445 [0,1,0,0,0,1|2,0,0]=4 4641 B8R1.4 OC1C=C(Cl)CCC1 Amb28138656 [0,1,0,0,0,1|2,0,0]=4 4642 B8R1.4 OC1CCSC(S)C1 Amb27396903 [0,1,0,0,0,1|0,0,2]=4 4643 B8R1.4 OC1CSCC(O)O1 Amb27853179 [0,1,0,0,0,1|0,0,2]=4 4644 B8R1.4 O[C@H]1C=C(Br)CCC1 Amb27980419 [0,1,0,0,0,1|2,0,0]=4 4645 B8R1.4 S=C1CCSC(=S)N1 Amb1054209 [0,1,0,0,0,1|0,1,1]=4 4646 B8R1.5 BrC1=CCCCC1Br Amb25255682 [0,1,0,0,0,1|2,0,0]=4 4647 B8R1.5 C=C1CC=CCC1O Amb28139511 [0,1,0,0,0,1|2,0,0]=4 4648 B8R1.5 C=C1CCCCC1=C Amb8392110 [0,1,0,0,0,1|2,0,0]=4 4649 B8R1.5 C=C1CCCCC1=O Amb18561347 [0,1,0,0,0,1|1,0,0]=3 4650 B8R1.5 C=C1CCCCC1C Amb25203919 [0,1,0,0,0,1|2,0,0]=4 4651 B8R1.5 C=C1CCCCC1Cl Amb27858823 [0,1,0,0,0,1|2,0,0]=4 4652 B8R1.5 C=C1CCCCC1O Amb28316215 [0,1,0,0,0,1|2,0,0]=4 4653 B8R1.5 C=C1CCCC[C@@H]1N Amb27252272 [0,1,0,0,0,1|2,0,0]=4 4654 B8R1.5 C=C1COCCC1=O Amb18063600 [0,1,0,0,0,1|0,1,0]=3 4655 B8R1.5 C=C1CSC=CC1=O Amb27598782 [0,1,0,0,0,1|0,0,2]=4 4656 B8R1.5 C=C1NCCCC1F Amb28384341 [0,1,0,0,0,1|2,0,0]=4 4657 B8R1.5 CC1=C(Br)CNCC1 Amb25046045 [0,1,0,0,0,1|2,0,0]=4 4658 B8R1.5 CC1=C(Br)CNCC1 Amb33473572 [0,1,0,0,0,1|2,0,0]=4 4659 B8R1.5 CC1=C(C)CCCC1 Amb4019565 [0,1,0,0,0,1|2,0,0]=4 4660 B8R1.5 CC1=C(C)CNCC1 Amb18641667 [0,1,0,0,0,1|2,0,0]=4 4661 B8R1.5 CC1=C(C)CNCC1 Amb28934860 [0,1,0,0,0,1|2,0,0]=4 4662 B8R1.5 CC1=CCCCC1=O Amb15693479 [0,1,0,0,0,1|1,0,1]=4 4663 B8R1.5 CC1=CCCCC1Br Amb27856502 [0,1,0,0,0,1|2,0,0]=4 4664 B8R1.5 CC1=CCCCC1C Amb22489910 [0,1,0,0,0,1|2,0,0]=4 4665 B8R1.5 CC1=CCCCC1Cl Amb28207840 [0,1,0,0,0,1|2,0,0]=4 4666 B8R1.5 CC1=CCCCC1O Amb22365276 [0,1,0,0,0,1|2,0,0]=4 4667 B8R1.5 CC1=CCOCC1O Amb28411303 [0,1,0,0,0,1|1,1,0]=4 4668 B8R1.5 CC1=COCCC1=O Amb28048981 [0,1,0,0,0,1|0,1,1]=4 4669 B8R1.5 CC1=NCCCC1=O Amb27803670 [0,1,0,0,0,1|1,0,1]=4 4670 B8R1.5 CC1=NCCOC1=O Amb27623377 [0,1,0,0,0,1|1,0,1]=4 4671 B8R1.5 CC1CC=CCC1=O Amb17593140 [0,1,0,0,0,1|1,0,0]=3 4672 B8R1.5 CC1CC=NNC1=O Amb22752103 [0,1,0,0,0,1|2,0,0]=4 4673 B8R1.5 CC1CCC=CC1=O Amb17593138 [0,1,0,0,0,1|1,0,1]=4 4674 B8R1.5 CC1CCCCC1=O Amb6608749 [0,1,0,0,0,1|1,0,0]=3 4675 B8R1.5 CC1CCCN=C1N Amb26551145 [0,1,0,0,0,1|2,0,0]=4 4676 B8R1.5 CC1CCCNC1=O Amb2778949 [0,1,0,0,0,1|1,0,0]=3 4677 B8R1.5 CC1CCCOC1=O Amb26933974 [0,1,0,0,0,1|1,0,0]=3 4678 B8R1.5 CC1CCNCC1=O Amb28990014 [0,1,0,0,0,1|1,0,0]=3 4679 B8R1.5 CC1CCNCC1=O Amb8388554 [0,1,0,0,0,1|1,0,0]=3 4680 B8R1.5 CC1CCOCC1=O Amb25718285 [0,1,0,0,0,1|0,1,0]=3 4681 B8R1.5 CC1CNCCC1=O Amb19888361 [0,1,0,0,0,1|1,0,0]=3 4682 B8R1.5 CC1CNCCC1=O Amb8393082 [0,1,0,0,0,1|1,0,0]=3 4683 B8R1.5 CC1CNCCS1=O Amb19515549 [0,1,0,0,0,1|2,0,0]=4 4684 B8R1.5 CC1COC=CC1=O Amb28124249 [0,1,0,0,0,1|0,1,1]=4 4685 B8R1.5 CC1COCCC1=O Amb21856147 [0,1,0,0,0,1|0,1,0]=3 4686 B8R1.5 CC1CSCCC1=O Amb26404796 [0,1,0,0,0,1|0,0,0]=2 4687 B8R1.5 CC1CSCCC1N Amb18202892 [0,1,0,0,0,1|1,0,1]=4 4688 B8R1.5 CC1CSCCC1O Amb26370414 [0,1,0,0,0,1|0,0,2]=4 4689 B8R1.5 CC1NCCCC1=O Amb26633057 [0,1,0,0,0,1|1,0,0]=3 4690 B8R1.5 CC1NCCCC1=O Amb32695440 [0,1,0,0,0,1|1,0,0]=3 4691 B8R1.5 CC1NCCNC1=O Amb5846691 [0,1,0,0,0,1|1,0,0]=3 4692 B8R1.5 CC1NCCNC1=O Amb9778910 [0,1,0,0,0,1|1,0,0]=3 4693 B8R1.5 CC1NCCSC1=O Amb27489291 [0,1,0,0,0,1|1,0,0]=3 4694 B8R1.5 CC1NCCSC1C Amb19515484 [0,1,0,0,0,1|1,0,1]=4 4695 B8R1.5 CC1OCC=CC1=O Amb28316168 [0,1,0,0,0,1|0,1,1]=4 4696 B8R1.5 CC1OCCCC1=O Amb28048940 [0,1,0,0,0,1|0,1,0]=3 4697 B8R1.5 CC1OCCNC1=O Amb19517095 [0,1,0,0,0,1|0,1,0]=3 4698 B8R1.5 CC1SCCCC1=O Amb25989585 [0,1,0,0,0,1|0,0,0]=2 4699 B8R1.5 CC1SCCCC1Br Amb24483260 [0,1,0,0,0,1|1,0,1]=4 4700 B8R1.5 CC1SCCCC1N Amb24699153 [0,1,0,0,0,1|1,0,1]=4 4701 B8R1.5 CC1SCCCC1O Amb26865931 [0,1,0,0,0,1|0,0,2]=4 4702 B8R1.5 CC1SCCCC1S Amb24658420 [0,1,0,0,0,1|0,1,1]=4 4703 B8R1.5 CC1SCCNC1=O Amb4009235 [0,1,0,0,0,1|0,0,0]=2 4704 B8R1.5 CN1CCC=CC1=O Amb22500738 [0,1,0,0,0,1|1,0,1]=4 4705 B8R1.5 CN1CCCNC1=O Amb10608416 [0,1,0,0,0,1|2,0,0]=4 4706 B8R1.5 CN1CCCNC1=O Amb32665804 [0,1,0,0,0,1|2,0,0]=4 4707 B8R1.5 CN1CCNCC1=O Amb1834069 [0,1,0,0,0,1|1,0,0]=3 4708 B8R1.5 CN1CCNCC1=O Amb6540859 [0,1,0,0,0,1|1,0,0]=3 4709 B8R1.5 CN1CCOCC1=O Amb22301593 [0,1,0,0,0,1|0,1,0]=3 4710 B8R1.5 CN1CNCCC1=O Amb27409650 [0,1,0,0,0,1|1,0,0]=3 4711 B8R1.5 CN1NCCCC1=O Amb18559232 [0,1,0,0,0,1|2,0,0]=4 4712 B8R1.5 C[C@@H]1CCC=CC1=O Amb28316223 [0,1,0,0,0,1|1,0,1]=4 4713 B8R1.5 C[C@@H]1NCCNC1=O Amb18203363 [0,1,0,0,0,1|1,0,0]=3 4714 B8R1.5 C[C@@H]1OCCCC1=O Amb28202118 [0,1,0,0,0,1|0,1,0]=3 4715 B8R1.5 C[C@@H]1SCCNC1=O Amb34915743 [0,1,0,0,0,1|0,0,0]=2 4716 B8R1.5 C[C@@H]1SCCN[C@@H]1C Amb27489227 [0,1,0,0,0,1|1,0,1]=4 4717 B8R1.5 C[C@H]1CCC=CC1=O Amb28316171 [0,1,0,0,0,1|1,0,1]=4 4718 B8R1.5 C[C@H]1CCCNC1=O Amb27648584 [0,1,0,0,0,1|1,0,0]=3 4719 B8R1.5 C[C@H]1CSCC[C@@H]1O Amb28286731 [0,1,0,0,0,1|0,0,2]=4 4720 B8R1.5 C[C@H]1NCCNC1=O Amb22336965 [0,1,0,0,0,1|1,0,0]=3 4721 B8R1.5 C[C@H]1SCCNC1=O Amb27810802 [0,1,0,0,0,1|0,0,0]=2 4722 B8R1.5 ClC1=C(Cl)CNCC1 Amb24467867 [0,1,0,0,0,1|2,0,0]=4 4723 B8R1.5 ClC1=C(Cl)CNCC1 Amb33291346 [0,1,0,0,0,1|2,0,0]=4 4724 B8R1.5 ClC1CCCSC1Cl Amb27228654 [0,1,0,0,0,1|1,0,1]=4 4725 B8R1.5 ClC1SCCSC1Cl Amb27596972 [0,1,0,0,0,1|1,0,1]=4 4726 B8R1.5 Cl[C@@H]1SCCS[C@@H]1Cl Amb27791478 [0,1,0,0,0,1|1,0,1]=4 4727 B8R1.5 Cl[C@@H]1SCCS[C@H]1Cl Amb28244784 [0,1,0,0,0,1|1,0,1]=4 4728 B8R1.5 FC1=CCCCC1Br Amb28325638 [0,1,0,0,0,1|2,0,0]=4 4729 B8R1.5 NC1=NCCCC1=O Amb28399329 [0,1,0,0,0,1|1,0,1]=4 4730 B8R1.5 NC1=NCCCC1Cl Amb27391114 [0,1,0,0,0,1|2,0,0]=4 4731 B8R1.5 NC1=NCCCC1O Amb27985373 [0,1,0,0,0,1|2,0,0]=4 4732 B8R1.5 NC1CCCC=C1Br Amb27974263 [0,1,0,0,0,1|2,0,0]=4 4733 B8R1.5 NC1CCCC=C1Br Amb33338965 [0,1,0,0,0,1|2,0,0]=4 4734 B8R1.5 NC1CCCC=C1Cl Amb18124341 [0,1,0,0,0,1|2,0,0]=4 4735 B8R1.5 NC1CCCCC1=O Amb17939051 [0,1,0,0,0,1|1,0,0]=3 4736 B8R1.5 NC1CCCCC1=O Amb22001819 [0,1,0,0,0,1|1,0,0]=3 4737 B8R1.5 NC1CCCNC1=O Amb1088746 [0,1,0,0,0,1|1,0,0]=3 4738 B8R1.5 NC1CCCNC1=O Amb8428208 [0,1,0,0,0,1|1,0,0]=3 4739 B8R1.5 NC1CCONC1=O Amb22295935 [0,1,0,0,0,1|1,1,0]=4 4740 B8R1.5 NC1CNCCC1=O Amb27635311 [0,1,0,0,0,1|1,0,0]=3 4741 B8R1.5 NC1COCCC1=O Amb18833021 [0,1,0,0,0,1|0,1,0]=3 4742 B8R1.5 NC1COCCC1=O Amb32670691 [0,1,0,0,0,1|0,1,0]=3 4743 B8R1.5 NC1CSCCC1=O Amb4296938 [0,1,0,0,0,1|0,0,0]=2 4744 B8R1.5 NN1CCCCC1=O Amb13952152 [0,1,0,0,0,1|1,0,0]=3 4745 B8R1.5 NN1CCCCC1=O Amb22275946 [0,1,0,0,0,1|1,0,0]=3 4746 B8R1.5 NN1CCCNC1=O Amb25343173 [0,1,0,0,0,1|2,0,0]=4 4747 B8R1.5 NN1CCCOC1=O Amb17608306 [0,1,0,0,0,1|2,0,0]=4 4748 B8R1.5 NN1CCOCC1=O Amb27238452 [0,1,0,0,0,1|0,1,0]=3 4749 B8R1.5 N[C@@H]1CCCNC1=O Amb19943908 [0,1,0,0,0,1|1,0,0]=3 4750 B8R1.5 N[C@@H]1CCCNC1=O Amb22388613 [0,1,0,0,0,1|1,0,0]=3 4751 B8R1.5 N[C@@H]1CCSC[C@@H]1O Amb27207385 [0,1,0,0,0,1|0,0,2]=4 4752 B8R1.5 N[C@@H]1CCSC[C@H]1O Amb27456499 [0,1,0,0,0,1|0,0,2]=4 4753 B8R1.5 N[C@H]1CCCNC1=O Amb10603272 [0,1,0,0,0,1|1,0,0]=3 4754 B8R1.5 N[C@H]1CCCNC1=O Amb8631316 [0,1,0,0,0,1|1,0,0]=3 4755 B8R1.5 N[C@H]1CCSC[C@@H]1O Amb28052492 [0,1,0,0,0,1|0,0,2]=4 4756 B8R1.5 N[C@H]1CSSC[C@@H]1N Amb27630989 [0,1,0,0,0,1|1,0,1]=4 4757 B8R1.5 O=C1C=CCCC1=O Amb28049024 [0,1,0,0,0,1|1,0,1]=4 4758 B8R1.5 O=C1C=CCCC1Br Amb27477843 [0,1,0,0,0,1|1,0,1]=4 4759 B8R1.5 O=C1C=CCCC1O Amb27165534 [0,1,0,0,0,1|1,0,1]=4 4760 B8R1.5 O=C1CC=CCC1Cl Amb27471139 [0,1,0,0,0,1|1,0,0]=3 4761 B8R1.5 O=C1CCCC=C1Br Amb10067493 [0,1,0,0,0,1|1,0,1]=4 4762 B8R1.5 O=C1CCCC=C1F Amb28253992 [0,1,0,0,0,1|1,0,1]=4 4763 B8R1.5 O=C1CCCC=C1I Amb10601698 [0,1,0,0,0,1|1,0,1]=4 4764 B8R1.5 O=C1CCCC=C1O Amb2699837 [0,1,0,0,0,1|1,0,1]=4 4765 B8R1.5 O=C1CCCCC1=O Amb1154131 [0,1,0,0,0,1|1,0,0]=3 4766 B8R1.5 O=C1CCCCC1Br Amb8394127 [0,1,0,0,0,1|1,0,0]=3 4767 B8R1.5 O=C1CCCCC1Cl Amb1154371 [0,1,0,0,0,1|1,0,0]=3 4768 B8R1.5 O=C1CCCCC1F Amb10605769 [0,1,0,0,0,1|1,0,0]=3 4769 B8R1.5 O=C1CCCCC1I Amb28239314 [0,1,0,0,0,1|1,0,0]=3 4770 B8R1.5 O=C1CCCCC1O Amb8390042 [0,1,0,0,0,1|1,0,0]=3 4771 B8R1.5 O=C1CCCCC1S Amb25839265 [0,1,0,0,0,1|1,0,0]=3 4772 B8R1.5 O=C1CCCC[C@@H]1F Amb24379012 [0,1,0,0,0,1|1,0,0]=3 4773 B8R1.5 O=C1CCCC[C@@H]1O Amb28316212 [0,1,0,0,0,1|1,0,0]=3 4774 B8R1.5 O=C1CCCC[C@H]1Cl Amb28119800 [0,1,0,0,0,1|1,0,0]=3 4775 B8R1.5 O=C1CCCNC1=O Amb2445649 [0,1,0,0,0,1|1,0,1]=4 4776 B8R1.5 O=C1CCCOC1=O Amb24662237 [0,1,0,0,0,1|0,1,1]=4 4777 B8R1.5 O=C1CCCSC1Cl Amb26534671 [0,1,0,0,0,1|0,0,0]=2 4778 B8R1.5 O=C1CCNCC1Br Amb21520330 [0,1,0,0,0,1|1,0,0]=3 4779 B8R1.5 O=C1CCNCC1F Amb13885958 [0,1,0,0,0,1|1,0,0]=3 4780 B8R1.5 O=C1CCNCC1F Amb22002662 [0,1,0,0,0,1|1,0,0]=3 4781 B8R1.5 O=C1CCNCC1O Amb24075970 [0,1,0,0,0,1|1,0,0]=3 4782 B8R1.5 O=C1CCNCC1O Amb27230548 [0,1,0,0,0,1|1,0,0]=3 4783 B8R1.5 O=C1CCNCN1O Amb24120639 [0,1,0,0,0,1|1,0,0]=3 4784 B8R1.5 O=C1CCNC[C@H]1F Amb27467922 [0,1,0,0,0,1|1,0,0]=3 4785 B8R1.5 O=C1CCOCC1Br Amb21864837 [0,1,0,0,0,1|0,1,0]=3 4786 B8R1.5 O=C1CCOCC1Cl Amb21857938 [0,1,0,0,0,1|0,1,0]=3 4787 B8R1.5 O=C1CCOCC1F Amb19958536 [0,1,0,0,0,1|0,1,0]=3 4788 B8R1.5 O=C1CCOCC1O Amb26966688 [0,1,0,0,0,1|0,1,0]=3 4789 B8R1.5 O=C1CCOC[C@@H]1Br Amb26936362 [0,1,0,0,0,1|0,1,0]=3 4790 B8R1.5 O=C1CCOC[C@@H]1F Amb27813369 [0,1,0,0,0,1|0,1,0]=3 4791 B8R1.5 O=C1CCOC[C@H]1F Amb24732439 [0,1,0,0,0,1|0,1,0]=3 4792 B8R1.5 O=C1CCSC=C1Cl Amb27856607 [0,1,0,0,0,1|0,0,1]=3 4793 B8R1.5 O=C1CCSCC1Br Amb22493812 [0,1,0,0,0,1|0,0,0]=2 4794 B8R1.5 O=C1CCSCC1O Amb27762936 [0,1,0,0,0,1|0,0,0]=2 4795 B8R1.5 O=C1CCSC[C@@H]1O Amb28316128 [0,1,0,0,0,1|0,0,0]=2 4796 B8R1.5 O=C1COC=C[C@H]1F Amb28292426 [0,1,0,0,0,1|0,1,1]=4 4797 B8R1.5 O=C1COCCC1Br Amb24416092 [0,1,0,0,0,1|0,1,0]=3 4798 B8R1.5 O=C1COCCC1F Amb28048950 [0,1,0,0,0,1|0,1,0]=3 4799 B8R1.5 O=C1COCC[C@H]1F Amb27207103 [0,1,0,0,0,1|0,1,0]=3 4800 B8R1.5 O=C1NC=CSC1O Amb27882387 [0,1,0,0,0,1|0,0,2]=4 4801 B8R1.5 O=C1NCCC=C1Cl Amb26349713 [0,1,0,0,0,1|1,0,1]=4 4802 B8R1.5 O=C1NCCCC1Br Amb33543864 [0,1,0,0,0,1|1,0,0]=3 4803 B8R1.5 O=C1NCCCC1F Amb13888988 [0,1,0,0,0,1|1,0,0]=3 4804 B8R1.5 O=C1NCCCC1O Amb10602315 [0,1,0,0,0,1|1,0,0]=3 4805 B8R1.5 O=C1NCCC[C@@H]1O Amb22226682 [0,1,0,0,0,1|1,0,0]=3 4806 B8R1.5 O=C1NCCC[C@H]1O Amb22225342 [0,1,0,0,0,1|1,0,0]=3 4807 B8R1.5 O=C1NCCNC1=O Amb4005151 [0,1,0,0,0,1|1,0,1]=4 4808 B8R1.5 O=C1NCCOC1=O Amb24120265 [0,1,0,0,0,1|0,1,1]=4 4809 B8R1.5 O=C1NCNCC1Br Amb28060398 [0,1,0,0,0,1|1,0,0]=3 4810 B8R1.5 O=C1NNCCC1Cl Amb26453975 [0,1,0,0,0,1|2,0,0]=4 4811 B8R1.5 O=C1OCC=CC1O Amb27795928 [0,1,0,0,0,1|1,0,1]=4 4812 B8R1.5 O=C1OCCC=C1Br Amb27838412 [0,1,0,0,0,1|1,0,1]=4 4813 B8R1.5 O=C1OCCCC1Br Amb22289164 [0,1,0,0,0,1|1,0,0]=3 4814 B8R1.5 O=C1OCCCC1Cl Amb28195106 [0,1,0,0,0,1|1,0,0]=3 4815 B8R1.5 O=C1OCCCC1O Amb19959000 [0,1,0,0,0,1|1,0,0]=3 4816 B8R1.5 O=C1OCCOC1=O Amb4010211 [0,1,0,0,0,1|0,1,1]=4 4817 B8R1.5 O=C1OCCSC1Br Amb27776793 [0,1,0,0,0,1|0,0,0]=2 4818 B8R1.5 O=C1SCCSC1Cl Amb25026142 [0,1,0,0,0,1|0,0,0]=2 4819 B8R1.5 O=S1CCCCC1Cl Amb27669604 [0,1,0,0,0,1|2,0,0]=4 4820 B8R1.5 O=S1CCCC[C@H]1Cl Amb28343131 [0,1,0,0,0,1|2,0,0]=4 4821 B8R1.5 OC1CCCC=C1Br Amb17594500 [0,1,0,0,0,1|2,0,0]=4 4822 B8R1.5 OC1CCCC=C1Cl Amb27970979 [0,1,0,0,0,1|2,0,0]=4 4823 B8R1.5 OC1CCSCC1O Amb27211025 [0,1,0,0,0,1|0,0,2]=4 4824 B8R1.5 OC1CSSCC1O Amb26894783 [0,1,0,0,0,1|0,0,2]=4 4825 B8R1.5 O[C@@H]1CCCC=C1Br Amb25687871 [0,1,0,0,0,1|2,0,0]=4 4826 B8R1.5 O[C@@H]1CCCC=C1Cl Amb28067316 [0,1,0,0,0,1|2,0,0]=4 4827 B8R1.5 O[C@@H]1CSSC[C@@H]1O Amb17621830 [0,1,0,0,0,1|0,0,2]=4 4828 B8R1.5 O[C@@H]1CSSC[C@H]1O Amb2747253 [0,1,0,0,0,1|0,0,2]=4 4829 B8R1.5 O[C@H]1CCCC=C1Br Amb24505024 [0,1,0,0,0,1|2,0,0]=4 4830 B8R1.5 O[C@H]1CSSC[C@@H]1O Amb27974094 [0,1,0,0,0,1|0,0,2]=4 4831 B8R1.5 O[C@H]1SCCS[C@H]1O Amb28453440 [0,1,0,0,0,1|0,0,2]=4 4832 B8R1.72 CC1(C)CSCCN1 Amb27838378 [0,1,0,0,0,1|1,0,1]=4 4833 B8R1.72 CC1(N)CCSCC1 Amb18199761 [0,1,0,0,0,1|1,0,1]=4 4834 B8R1.72 CC1(O)CCCSC1 Amb29857705 [0,1,0,0,0,1|0,0,2]=4 4835 B8R1.72 CC1(O)CCSCC1 Amb24672466 [0,1,0,0,0,1|0,0,2]=4 4836 B8R1.72 CP1(=O)CCNCC1 Amb24715796 [0,1,0,0,0,1|2,0,0]=4 4837 B8R1.72 CP1(=O)CCNCC1 Amb32675162 [0,1,0,0,0,1|2,0,0]=4 4838 B8R1.72 N=S1(=O)CCCCC1 Amb25258608 [0,1,0,0,0,1|2,0,0]=4 4839 B8R1.72 N=S1(=O)CCNCC1 Amb27652837 [0,1,0,0,0,1|2,0,0]=4 4840 B8R1.72 N=S1(=O)CCNCC1 Amb31308374 [0,1,0,0,0,1|2,0,0]=4 4841 B8R1.72 N=S1(=O)CCOCC1 Amb33543895 [0,1,0,0,0,1|1,1,0]=4 4842 B8R1.72 O=P1(O)CCNCC1 Amb28398023 [0,1,0,0,0,1|2,0,0]=4 4843 B8R1.72 O=S1(=O)CC=CCC1 Amb27408085 [0,1,0,0,0,1|2,0,0]=4 4844 B8R1.72 O=S1(=O)CCCCN1 Amb10068561 [0,1,0,0,0,1|2,0,0]=4 4845 B8R1.72 O=S1(=O)CCCCO1 Amb6608747 [0,1,0,0,0,1|2,0,0]=4 4846 B8R1.72 O=S1(=O)CCCNC1 Amb27838312 [0,1,0,0,0,1|2,0,0]=4 4847 B8R1.72 O=S1(=O)CCCNC1 Amb32670599 [0,1,0,0,0,1|2,0,0]=4 4848 B8R1.72 O=S1(=O)CCNCC1 Amb1102302 [0,1,0,0,0,1|2,0,0]=4 4849 B8R1.72 O=S1(=O)CCNCC1 Amb6307180 [0,1,0,0,0,1|2,0,0]=4 4850 B8R1.72 O=S1(=O)CCNCN1 Amb15691496 [0,1,0,0,0,1|2,0,0]=4 4851 B8R1.72 O=S1(=O)CCOCC1 Amb2779436 [0,1,0,0,0,1|1,1,0]=4 4852 B8R1.72 O=S1(=O)COCCN1 Amb19516827 [0,1,0,0,0,1|1,1,0]=4 4853 B8R1.1 C=C1CCC(C#N)C1 Amb18641604 [0,2,0,0,0,0|2,0,0]=4 4854 B8R1.1 C=C1CCC(CO)C1 Amb27869714 [0,2,0,0,0,0|2,0,0]=4 4855 B8R1.1 C=C1CCN(C#N)C1 Amb35637399 [0,2,0,0,0,0|2,0,0]=4 4856 B8R1.1 C=C1CCN(C=O)C1 Amb35637496 [0,2,0,0,0,0|2,0,0]=4 4857 B8R1.1 C=C1CC[C@H](CO)C1 Amb28430210 [0,2,0,0,0,0|2,0,0]=4 4858 B8R1.1 C=C1CN[C@H](CO)C1 Amb27205082 [0,2,0,0,0,0|2,0,0]=4 4859 B8R1.1 C=C1COC(CC)C1 Amb35614622 [0,2,0,0,0,0|1,1,0]=4 4860 B8R1.1 C=CC1=CC(=O)CC1 Amb28455401 [0,2,0,0,0,0|1,0,1]=4 4861 B8R1.1 C=CC1CCC(=O)C1 Amb26592031 [0,2,0,0,0,0|1,0,0]=3 4862 B8R1.1 C=CC1CCC(=O)N1 Amb20622087 [0,2,0,0,0,0|2,0,0]=4 4863 B8R1.1 C=CC1CCC(=O)O1 Amb33249669 [0,2,0,0,0,0|2,0,0]=4 4864 B8R1.1 C=CC1COC(=O)C1 Amb22232189 [0,2,0,0,0,0|2,0,0]=4 4865 B8R1.1 C=C[C@@H]1C=CC(=O)C1 Amb28202331 [0,2,0,0,0,0|1,0,1]=4 4866 B8R1.1 C=C[C@@H]1CCC(=O)N1 Amb27838334 [0,2,0,0,0,0|2,0,0]=4 4867 B8R1.1 C=C[C@@H]1COC(=O)C1 Amb22232075 [0,2,0,0,0,0|2,0,0]=4 4868 B8R1.1 C=C[C@H]1CCC(=O)N1 Amb27459295 [0,2,0,0,0,0|2,0,0]=4 4869 B8R1.1 C=C[C@H]1COC(=O)C1 Amb22232080 [0,2,0,0,0,0|2,0,0]=4 4870 B8R1.1 CC1=CC(CO)SC1 Amb27197197 [0,2,0,0,0,0|1,0,1]=4 4871 B8R1.1 CC1CC(C=O)=NO1 Amb35750026 [0,2,0,0,0,0|1,1,0]=4 4872 B8R1.1 CC1CCC(C=O)C1 Amb33549452 [0,2,0,0,0,0|1,0,1]=4 4873 B8R1.1 CC1CC\C(=N/N)C1 Amb28137031 [0,2,0,0,0,0|2,0,0]=4 4874 B8R1.1 CC1C\C(=N\N)CO1 Amb35682288 [0,2,0,0,0,0|1,1,0]=4 4875 B8R1.1 CC1C\C(=N\N)CS1 Amb27645841 [0,2,0,0,0,0|1,0,0]=3 4876 B8R1.1 CC1C\C(=N\O)CO1 Amb35709648 [0,2,0,0,0,0|0,1,1]=4 4877 B8R1.1 CCC1=CC(=O)CC1 Amb25889297 [0,2,0,0,0,0|1,0,1]=4 4878 B8R1.1 CCC1CC(=O)CO1 Amb27856666 [0,2,0,0,0,0|0,1,0]=3 4879 B8R1.1 CCC1CC(=O)NN1 Amb29862365 [0,2,0,0,0,0|2,0,0]=4 4880 B8R1.1 CCC1CCC(=O)N1 Amb19516715 [0,2,0,0,0,0|2,0,0]=4 4881 B8R1.1 CCC1CCC(=O)O1 Amb3941505 [0,2,0,0,0,0|2,0,0]=4 4882 B8R1.1 CCC1CNC(=O)C1 Amb10608005 [0,2,0,0,0,0|2,0,0]=4 4883 B8R1.1 CCC1COC(=O)C1 Amb27854064 [0,2,0,0,0,0|2,0,0]=4 4884 B8R1.1 CCC1N=C(C)CS1 Amb24664975 [0,2,0,0,0,0|2,0,0]=4 4885 B8R1.1 CC[C@@H]1CCC(=O)O1 Amb26626757 [0,2,0,0,0,0|2,0,0]=4 4886 B8R1.1 CC[C@H]1CCC(=O)O1 Amb25795415 [0,2,0,0,0,0|2,0,0]=4 4887 B8R1.1 CN1CCC(C=O)C1 Amb18833062 [0,2,0,0,0,0|1,0,1]=4 4888 B8R1.1 CNC1=NC(=O)CS1 Amb27838288 [0,2,0,0,0,0|1,0,1]=4 4889 B8R1.1 CNC1CCC(=O)C1 Amb28316112 [0,2,0,0,0,0|1,0,0]=3 4890 B8R1.1 CNC1CNC(=O)C1 Amb25851765 [0,2,0,0,0,0|2,0,0]=4 4891 B8R1.1 CNC1COC(=O)C1 Amb26505382 [0,2,0,0,0,0|2,0,0]=4 4892 B8R1.1 COC1=CC(=O)CC1 Amb21864758 [0,2,0,0,0,0|1,0,1]=4 4893 B8R1.1 COC1CC(=O)CO1 Amb27409395 [0,2,0,0,0,0|0,1,0]=3 4894 B8R1.1 COC1CCC(=O)C1 Amb24483163 [0,2,0,0,0,0|1,0,0]=3 4895 B8R1.1 COC1CCC(=O)N1 Amb17617087 [0,2,0,0,0,0|2,0,0]=4 4896 B8R1.1 COC1CNC(=O)C1 Amb24683870 [0,2,0,0,0,0|2,0,0]=4 4897 B8R1.1 CSC1=NC(=O)CS1 Amb2089015 [0,2,0,0,0,0|1,0,1]=4 4898 B8R1.1 CSC1CCC(=O)C1 Amb28184431 [0,2,0,0,0,0|1,0,0]=3 4899 B8R1.1 C[C@@H]1C=C(C=O)CC1 Amb25760068 [0,2,0,0,0,0|1,0,1]=4 4900 B8R1.1 C[C@H]1C=C(C=O)CC1 Amb25839230 [0,2,0,0,0,0|1,0,1]=4 4901 B8R1.1 C\C=C1\CCC(=O)O1 Amb27421031 [0,2,0,0,0,0|2,0,0]=4 4902 B8R1.1 C\N=C1/CCC(=O)N1 Amb26457426 [0,2,0,0,0,0|2,0,0]=4 4903 B8R1.1 N#CC1=CC(=O)CC1 Amb18122621 [0,2,0,0,0,0|1,0,1]=4 4904 B8R1.1 N#CC1CCC(=O)C1 Amb22886979 [0,2,0,0,0,0|1,0,0]=3 4905 B8R1.1 N#CC1CCC(=O)N1 Amb26361514 [0,2,0,0,0,0|2,0,0]=4 4906 B8R1.1 N#CC1CNC(=O)C1 Amb25873600 [0,2,0,0,0,0|2,0,0]=4 4907 B8R1.1 N#C[C@H]1CCC(=O)C1 Amb26562820 [0,2,0,0,0,0|1,0,0]=3 4908 B8R1.1 N#C[C@H]1CCC(=O)N1 Amb27404492 [0,2,0,0,0,0|2,0,0]=4 4909 B8R1.1 NC1CSC(CO)C1 Amb27851559 [0,2,0,0,0,0|1,0,1]=4 4910 B8R1.1 NCC1=NC(=O)CS1 Amb35679385 [0,2,0,0,0,0|1,0,1]=4 4911 B8R1.1 NCC1CCC(=O)C1 Amb24644946 [0,2,0,0,0,0|1,0,0]=3 4912 B8R1.1 NCC1CCC(=O)N1 Amb19330383 [0,2,0,0,0,0|2,0,0]=4 4913 B8R1.1 NCC1CCC(=O)N1 Amb2154785 [0,2,0,0,0,0|2,0,0]=4 4914 B8R1.1 NCC1CCC(=O)N1 Amb2699145 [0,2,0,0,0,0|2,0,0]=4 4915 B8R1.1 NCC1CCC(=O)O1 Amb24482045 [0,2,0,0,0,0|2,0,0]=4 4916 B8R1.1 NCC1CCC(=O)O1 Amb28934914 [0,2,0,0,0,0|2,0,0]=4 4917 B8R1.1 NCC1CNC(=O)C1 Amb22899752 [0,2,0,0,0,0|2,0,0]=4 4918 B8R1.1 NCC1CNC(=O)C1 Amb32434789 [0,2,0,0,0,0|2,0,0]=4 4919 B8R1.1 NCC1CNC(=O)C1 Amb8009790 [0,2,0,0,0,0|2,0,0]=4 4920 B8R1.1 NC[C@@H]1CCC(=O)N1 Amb22746678 [0,2,0,0,0,0|2,0,0]=4 4921 B8R1.1 NC[C@@H]1CCC(=O)N1 Amb2699146 [0,2,0,0,0,0|2,0,0]=4 4922 B8R1.1 NC[C@@H]1CNC(=O)C1 Amb23439750 [0,2,0,0,0,0|2,0,0]=4 4923 B8R1.1 NC[C@@H]1CNC(=O)C1 Amb23439751 [0,2,0,0,0,0|2,0,0]=4 4924 B8R1.1 NC[C@H]1CCC(=O)N1 Amb2699147 [0,2,0,0,0,0|2,0,0]=4 4925 B8R1.1 NC[C@H]1CCC(=O)N1 Amb32721612 [0,2,0,0,0,0|2,0,0]=4 4926 B8R1.1 NC[C@H]1CNC(=O)C1 Amb27797276 [0,2,0,0,0,0|2,0,0]=4 4927 B8R1.1 NC[C@H]1CNC(=O)C1 Amb31204575 [0,2,0,0,0,0|2,0,0]=4 4928 B8R1.1 N\N=C1\NC(=O)CS1 Amb4303818 [0,2,0,0,0,0|1,0,1]=4 4929 B8R1.1 O=C1CC(CBr)CN1 Amb33548071 [0,2,0,0,0,0|2,0,0]=4 4930 B8R1.1 O=C1CC(CCl)CN1 Amb27259904 [0,2,0,0,0,0|2,0,0]=4 4931 B8R1.1 O=C1CC(CF)CN1 Amb33379247 [0,2,0,0,0,0|2,0,0]=4 4932 B8R1.1 O=C1CC(CF)CO1 Amb23557063 [0,2,0,0,0,0|2,0,0]=4 4933 B8R1.1 O=C1CC(CI)CN1 Amb25031171 [0,2,0,0,0,0|2,0,0]=4 4934 B8R1.1 O=C1CC(CO)CN1 Amb9902173 [0,2,0,0,0,0|2,0,0]=4 4935 B8R1.1 O=C1CC(CO)CO1 Amb22886806 [0,2,0,0,0,0|2,0,0]=4 4936 B8R1.1 O=C1CC(CO)NN1 Amb35686080 [0,2,0,0,0,0|2,0,0]=4 4937 B8R1.1 O=C1CC(CS)CN1 Amb27850787 [0,2,0,0,0,0|2,0,0]=4 4938 B8R1.1 O=C1CCC(CBr)N1 Amb22492782 [0,2,0,0,0,0|2,0,0]=4 4939 B8R1.1 O=C1CCC(CBr)N1 Amb32752580 [0,2,0,0,0,0|2,0,0]=4 4940 B8R1.1 O=C1CCC(CBr)O1 Amb22587611 [0,2,0,0,0,0|2,0,0]=4 4941 B8R1.1 O=C1CCC(CCl)N1 Amb25125270 [0,2,0,0,0,0|2,0,0]=4 4942 B8R1.1 O=C1CCC(CCl)O1 Amb10608418 [0,2,0,0,0,0|2,0,0]=4 4943 B8R1.1 O=C1CCC(CF)N1 Amb27838313 [0,2,0,0,0,0|2,0,0]=4 4944 B8R1.1 O=C1CCC(CI)C1 Amb27481152 [0,2,0,0,0,0|1,0,0]=3 4945 B8R1.1 O=C1CCC(CI)N1 Amb25955610 [0,2,0,0,0,0|2,0,0]=4 4946 B8R1.1 O=C1CCC(CI)O1 Amb25718848 [0,2,0,0,0,0|2,0,0]=4 4947 B8R1.1 O=C1CCC(CO)C1 Amb22168734 [0,2,0,0,0,0|1,0,0]=3 4948 B8R1.1 O=C1CCC(CO)N1 Amb33544815 [0,2,0,0,0,0|2,0,0]=4 4949 B8R1.1 O=C1CCC(CO)O1 Amb20240701 [0,2,0,0,0,0|2,0,0]=4 4950 B8R1.1 O=C1CCC(CO)S1 Amb28202904 [0,2,0,0,0,0|2,0,0]=4 4951 B8R1.1 O=C1CCC(CS)C1 Amb27828867 [0,2,0,0,0,0|1,0,0]=3 4952 B8R1.1 O=C1CCC(CS)N1 Amb32788463 [0,2,0,0,0,0|2,0,0]=4 4953 B8R1.1 O=C1CC[C@@H](CBr)N1 Amb2694702 [0,2,0,0,0,0|2,0,0]=4 4954 B8R1.1 O=C1CC[C@@H](CBr)N1 Amb32664923 [0,2,0,0,0,0|2,0,0]=4 4955 B8R1.1 O=C1CC[C@@H](CBr)O1 Amb24483198 [0,2,0,0,0,0|2,0,0]=4 4956 B8R1.1 O=C1CC[C@@H](CI)O1 Amb27175447 [0,2,0,0,0,0|2,0,0]=4 4957 B8R1.1 O=C1CC[C@@H](CO)N1 Amb2371840 [0,2,0,0,0,0|2,0,0]=4 4958 B8R1.1 O=C1CC[C@@H](CO)O1 Amb8515911 [0,2,0,0,0,0|2,0,0]=4 4959 B8R1.1 O=C1CC[C@H](CBr)C1 Amb26032409 [0,2,0,0,0,0|1,0,0]=3 4960 B8R1.1 O=C1CC[C@H](CBr)N1 Amb2695539 [0,2,0,0,0,0|2,0,0]=4 4961 B8R1.1 O=C1CC[C@H](CCl)N1 Amb26508557 [0,2,0,0,0,0|2,0,0]=4 4962 B8R1.1 O=C1CC[C@H](CO)N1 Amb2694795 [0,2,0,0,0,0|2,0,0]=4 4963 B8R1.1 O=C1CC[C@H](CO)O1 Amb4037005 [0,2,0,0,0,0|2,0,0]=4 4964 B8R1.1 O=C1CNC(CCl)C1 Amb27864068 [0,2,0,0,0,0|1,0,0]=3 4965 B8R1.1 O=C1COC(CO)C1 Amb24117838 [0,2,0,0,0,0|0,1,0]=3 4966 B8R1.1 O=C1COC(CO)N1 Amb27789986 [0,2,0,0,0,0|1,1,0]=4 4967 B8R1.1 O=C1CSC(CCl)=N1 Amb35679381 [0,2,0,0,0,0|1,0,1]=4 4968 B8R1.1 O=C1CS\C(=N\O)N1 Amb22411255 [0,2,0,0,0,0|1,0,1]=4 4969 B8R1.1 O=C1C[C@@H](CBr)CO1 Amb27590526 [0,2,0,0,0,0|2,0,0]=4 4970 B8R1.1 O=C1C[C@@H](CO)CN1 Amb24515579 [0,2,0,0,0,0|2,0,0]=4 4971 B8R1.1 O=C1C[C@H](CF)CO1 Amb24626048 [0,2,0,0,0,0|2,0,0]=4 4972 B8R1.1 O=C1C[C@H](CO)CN1 Amb25745471 [0,2,0,0,0,0|2,0,0]=4 4973 B8R1.1 O=CC1=NC(=O)CS1 Amb35679379 [0,2,0,0,0,0|1,0,1]=4 4974 B8R1.1 O=CC1CCC(=O)C1 Amb18124240 [0,2,0,0,0,0|1,0,0]=3 4975 B8R1.1 O=CC1CCC(=O)N1 Amb24113125 [0,2,0,0,0,0|2,0,0]=4 4976 B8R1.1 O=CC1CCC(F)C1 Amb25938998 [0,2,0,0,0,0|1,0,1]=4 4977 B8R1.1 O=CC1CCC(O)C1 Amb18641801 [0,2,0,0,0,0|1,0,1]=4 4978 B8R1.1 O=CC1CNC(=O)C1 Amb24435979 [0,2,0,0,0,0|2,0,0]=4 4979 B8R1.1 O=CC1COC(=O)C1 Amb26428572 [0,2,0,0,0,0|2,0,0]=4 4980 B8R1.1 O=CN1CCC(F)C1 Amb35614291 [0,2,0,0,0,0|2,0,0]=4 4981 B8R1.1 O=CN1CC[C@H](O)C1 Amb27459549 [0,2,0,0,0,0|2,0,0]=4 4982 B8R1.1 O=CN1CC[C@H](S)C1 Amb26490592 [0,2,0,0,0,0|2,0,0]=4 4983 B8R1.1 O=C[C@@H]1CCC(=O)N1 Amb27390986 [0,2,0,0,0,0|2,0,0]=4 4984 B8R1.1 O=C[C@H]1CCC(=O)O1 Amb27964499 [0,2,0,0,0,0|2,0,0]=4 4985 B8R1.1 O=C[C@H]1CCC(=O)S1 Amb27792268 [0,2,0,0,0,0|2,0,0]=4 4986 B8R1.1 O=NN1CCC(=O)N1 Amb2417179 [0,2,0,0,0,0|2,0,0]=4 4987 B8R1.1 O=NN1CCC(O)C1 Amb25781793 [0,2,0,0,0,0|2,0,0]=4 4988 B8R1.1 O=S1CCC(CO)C1 Amb27763052 [0,2,0,0,0,0|2,0,0]=4 4989 B8R1.1 O=S1COC(CCl)C1 Amb27257436 [0,2,0,0,0,0|1,1,0]=4 4990 B8R1.1 O=S=C1NC(=O)CS1 Amb27669987 [0,2,0,0,0,0|1,0,1]=4 4991 B8R1.1 OC[C@H]1C[C@H](O)CS1 Amb27853945 [0,2,0,0,0,0|0,0,2]=4 4992 B8R1.1 [NH3+]C[C@@H]1CCC(=O)O1 Amb28464028 [0,2,0,0,0,0|2,0,0]=4 4993 B8R1.7 CC(=O)C1=CCCC1 Amb22338190 [0,2,0,0,0,0|1,0,1]=4 4994 B8R1.7 CC(=O)C1=CNCC1 Amb27455189 [0,2,0,0,0,0|1,0,1]=4 4995 B8R1.7 CC(=O)C1=NCSC1 Amb27985534 [0,2,0,0,0,0|1,0,0]=3 4996 B8R1.7 CC(=O)C1CCCC1 Amb2612425 [0,2,0,0,0,0|1,0,1]=4 4997 B8R1.7 CC(=O)C1CCNC1 Amb18833067 [0,2,0,0,0,0|1,0,1]=4 4998 B8R1.7 CC(=O)C1CCNC1 Amb22899078 [0,2,0,0,0,0|1,0,1]=4 4999 B8R1.7 CC(=O)C1CCOC1 Amb18833038 [0,2,0,0,0,0|0,1,1]=4 5000 B8R1.7 CC(=O)C1CCSC1 Amb27412975 [0,2,0,0,0,0|0,0,1]=3 5001 B8R1.7 CC(=O)N1CCCC1 Amb3358093 [0,2,0,0,0,0|2,0,0]=4 5002 B8R1.7 CC(=O)N1CCNC1 Amb27795361 [0,2,0,0,0,0|2,0,0]=4 5003 B8R1.7 CC(=O)[C@@H]1CCNC1 Amb30039124 [0,2,0,0,0,0|1,0,1]=4 5004 B8R1.7 CC(=O)[C@H]1CCNC1 Amb33132071 [0,2,0,0,0,0|1,0,1]=4 5005 B8R1.7 CC(C)=C1CCNC1 Amb27227642 [0,2,0,0,0,0|2,0,0]=4 5006 B8R1.7 CC(N)C1CCSC1 Amb18831918 [0,2,0,0,0,0|1,0,1]=4 5007 B8R1.7 CC(S)C1CCSC1 Amb32788169 [0,2,0,0,0,0|0,1,1]=4 5008 B8R1.7 CN(C)C1CCSC1 Amb29862248 [0,2,0,0,0,0|1,0,1]=4 5009 B8R1.7 CS(=O)C1CCCC1 Amb28049298 [0,2,0,0,0,0|1,0,1]=4 5010 B8R1.7 C[C@@H](N)C1CCSC1 Amb33141515 [0,2,0,0,0,0|1,0,1]=4 5011 B8R1.7 C[C@@H](O)C1CCSC1 Amb33141336 [0,2,0,0,0,0|0,0,2]=4 5012 B8R1.7 C[C@H](N)C1CCSC1 Amb33141514 [0,2,0,0,0,0|1,0,1]=4 5013 B8R1.7 C[C@H](O)C1CCSC1 Amb33141325 [0,2,0,0,0,0|0,0,2]=4 5014 B8R1.7 C[N+](C)=C1CCCC1 Amb2779779 [0,2,0,0,0,0|2,0,0]=4 5015 B8R1.7 FC(Br)=C1CCCC1 Amb32993482 [0,2,0,0,0,0|2,0,0]=4 5016 B8R1.7 N=C(N)C1CCSC1 Amb29849405 [0,2,0,0,0,0|1,0,1]=4 5017 B8R1.7 N=C(N)N1CCSC1 Amb27467669 [0,2,0,0,0,0|2,0,0]=4 5018 B8R1.7 NC(=O)C1=CCCC1 Amb20622488 [0,2,0,0,0,0|1,0,1]=4 5019 B8R1.7 NC(=O)C1=COCC1 Amb27837543 [0,2,0,0,0,0|0,1,1]=4 5020 B8R1.7 NC(=O)C1CCCC1 Amb8858372 [0,2,0,0,0,0|1,0,1]=4 5021 B8R1.7 NC(=O)C1CCNC1 Amb19373271 [0,2,0,0,0,0|1,0,1]=4 5022 B8R1.7 NC(=O)C1CCNC1 Amb9728548 [0,2,0,0,0,0|1,0,1]=4 5023 B8R1.7 NC(=O)C1CCOC1 Amb9677690 [0,2,0,0,0,0|0,1,1]=4 5024 B8R1.7 NC(=O)C1CSCN1 Amb2967256 [0,2,0,0,0,0|1,0,1]=4 5025 B8R1.7 NC(=O)N1CCCC1 Amb1107229 [0,2,0,0,0,0|2,0,0]=4 5026 B8R1.7 NC(=O)[C@@H]1CCNC1 Amb20671394 [0,2,0,0,0,0|1,0,1]=4 5027 B8R1.7 NC(=O)[C@@H]1CCNC1 Amb22405894 [0,2,0,0,0,0|1,0,1]=4 5028 B8R1.7 NC(=O)[C@@H]1CCOC1 Amb27413583 [0,2,0,0,0,0|0,1,1]=4 5029 B8R1.7 NC(=O)[C@H]1CCNC1 Amb20671395 [0,2,0,0,0,0|1,0,1]=4 5030 B8R1.7 NC(=O)[C@H]1CCNC1 Amb22405893 [0,2,0,0,0,0|1,0,1]=4 5031 B8R1.7 NC(=O)[C@H]1CCOC1 Amb33228699 [0,2,0,0,0,0|0,1,1]=4 5032 B8R1.7 NC(=S)C1CCSC1 Amb30011189 [0,2,0,0,0,0|0,1,1]=4 5033 B8R1.7 NS(=O)C1CCCC1 Amb26405101 [0,2,0,0,0,0|1,0,1]=4 5034 B8R1.7 NS(=O)C1CCOC1 Amb32720361 [0,2,0,0,0,0|0,1,1]=4 5035 B8R1.7 O=C(Br)C1CCCC1 Amb27793826 [0,2,0,0,0,0|1,0,1]=4 5036 B8R1.7 O=C(Cl)C1=CCCC1 Amb25870845 [0,2,0,0,0,0|1,0,1]=4 5037 B8R1.7 O=C(Cl)C1CCCC1 Amb3939172 [0,2,0,0,0,0|1,0,1]=4 5038 B8R1.7 O=C(Cl)C1CCNC1 Amb28316213 [0,2,0,0,0,0|1,0,1]=4 5039 B8R1.7 O=C(Cl)C1CCOC1 Amb9677595 [0,2,0,0,0,0|0,1,1]=4 5040 B8R1.7 O=C(Cl)C1CCSC1 Amb27778382 [0,2,0,0,0,0|0,0,1]=3 5041 B8R1.7 O=C(Cl)C1CSCN1 Amb17142875 [0,2,0,0,0,0|1,0,1]=4 5042 B8R1.7 O=C(Cl)N1CCCC1 Amb8516771 [0,2,0,0,0,0|2,0,0]=4 5043 B8R1.7 O=C(Cl)N1CCOC1 Amb32863956 [0,2,0,0,0,0|1,1,0]=4 5044 B8R1.7 O=C(O)C1=CCCC1 Amb3940288 [0,2,0,0,0,0|1,0,1]=4 5045 B8R1.7 O=C(O)C1=CCNC1 Amb26017269 [0,2,0,0,0,0|1,0,1]=4 5046 B8R1.7 O=C(O)C1=CCOC1 Amb24434391 [0,2,0,0,0,0|0,1,1]=4 5047 B8R1.7 O=C(O)C1=CCSC1 Amb18642797 [0,2,0,0,0,0|0,0,1]=3 5048 B8R1.7 O=C(O)C1=COCC1 Amb18124248 [0,2,0,0,0,0|0,1,1]=4 5049 B8R1.7 O=C(O)C1=CSCS1 Amb25330178 [0,2,0,0,0,0|1,0,1]=4 5050 B8R1.7 O=C(O)C1=NOCC1 Amb24353499 [0,2,0,0,0,0|1,1,0]=4 5051 B8R1.7 O=C(O)C1CCCC1 Amb3939849 [0,2,0,0,0,0|1,0,1]=4 5052 B8R1.7 O=C(O)C1CCNC1 Amb16230724 [0,2,0,0,0,0|1,0,1]=4 5053 B8R1.7 O=C(O)C1CCNC1 Amb16233446 [0,2,0,0,0,0|1,0,1]=4 5054 B8R1.7 O=C(O)C1CCNC1 Amb2694866 [0,2,0,0,0,0|1,0,1]=4 5055 B8R1.7 O=C(O)C1CCOC1 Amb33542759 [0,2,0,0,0,0|0,1,1]=4 5056 B8R1.7 O=C(O)C1CCSC1 Amb18124360 [0,2,0,0,0,0|0,0,1]=3 5057 B8R1.7 O=C(O)C1CCSS1 Amb8388097 [0,2,0,0,0,0|1,0,1]=4 5058 B8R1.7 O=C(O)C1CSCN1 Amb532947 [0,2,0,0,0,0|1,0,1]=4 5059 B8R1.7 O=C(O)C1CSSC1 Amb17593735 [0,2,0,0,0,0|1,0,1]=4 5060 B8R1.7 O=C(O)[C@@H]1CCNC1 Amb6893875 [0,2,0,0,0,0|1,0,1]=4 5061 B8R1.7 O=C(O)[C@@H]1CCNC1 Amb8630322 [0,2,0,0,0,0|1,0,1]=4 5062 B8R1.7 O=C(O)[C@@H]1CCOC1 Amb10603235 [0,2,0,0,0,0|0,1,1]=4 5063 B8R1.7 O=C(O)[C@@H]1CSCN1 Amb3940400 [0,2,0,0,0,0|1,0,1]=4 5064 B8R1.7 O=C(O)[C@H]1CCNC1 Amb2700058 [0,2,0,0,0,0|1,0,1]=4 5065 B8R1.7 O=C(O)[C@H]1CCNC1 Amb6893874 [0,2,0,0,0,0|1,0,1]=4 5066 B8R1.7 O=C(O)[C@H]1CCOC1 Amb22226787 [0,2,0,0,0,0|0,1,1]=4 5067 B8R1.7 O=C(O)[C@H]1CCSC1 Amb28241390 [0,2,0,0,0,0|0,0,1]=3 5068 B8R1.7 O=C(O)[C@H]1CSCN1 Amb544887 [0,2,0,0,0,0|1,0,1]=4 5069 B8R1.7 O=S(Cl)C1CCCC1 Amb25914787 [0,2,0,0,0,0|1,0,1]=4 5070 B8R1.7 O=S(Cl)C1CCOC1 Amb32720381 [0,2,0,0,0,0|0,1,1]=4 5071 B8R1.7 O=S([O-])C1CCCC1 Amb26419894 [0,2,0,0,0,0|1,0,1]=4 5072 B8R1.7 O=S([O-])C1CCOC1 Amb32754091 [0,2,0,0,0,0|0,1,1]=4 5073 B8R1.7 O=[N+]([O-])C1=CCCC1 Amb27874503 [0,2,0,0,0,0|1,0,1]=4 5074 B8R1.7 O=[N+]([O-])C1=NOCC1 Amb22234959 [0,2,0,0,0,0|1,1,0]=4 5075 B8R1.7 O=[N+]([O-])C1CCCC1 Amb8517343 [0,2,0,0,0,0|1,0,1]=4 5076 B8R1.7 O=[N+]([O-])C1CCOC1 Amb32992809 [0,2,0,0,0,0|0,1,1]=4 5077 B8R1.7 O=[N+]([O-])C1CCSC1 Amb33299031 [0,2,0,0,0,0|0,0,1]=3 5078 B8R1.8 BrCC=C1CCCC1 Amb28458294 [0,2,0,0,0,0|2,0,0]=4 5079 B8R1.8 BrCCC1CCSC1 Amb32688122 [0,2,0,0,0,0|1,0,1]=4 5080 B8R1.8 Br\C=C\C1CCSC1 Amb33135487 [0,2,0,0,0,0|1,0,1]=4 5081 B8R1.8 C#CCC1CCSC1 Amb33345728 [0,2,0,0,0,0|1,0,1]=4 5082 B8R1.8 C=CC[C@@H]1CCSC1 Amb28315682 [0,2,0,0,0,0|1,0,1]=4 5083 B8R1.8 C=CC[C@H]1CCSC1 Amb28044839 [0,2,0,0,0,0|1,0,1]=4 5084 B8R1.8 CCNC1CCSC1 Amb6269125 [0,2,0,0,0,0|1,0,1]=4 5085 B8R1.8 CC\C=C1/CCNC1 Amb33136384 [0,2,0,0,0,0|2,0,0]=4 5086 B8R1.8 CNCC1=CCSC1 Amb32667928 [0,2,0,0,0,0|1,0,1]=4 5087 B8R1.8 CO\N=C1/CCSC1 Amb27837925 [0,2,0,0,0,0|0,0,1]=3 5088 B8R1.8 ClCCC1CCSC1 Amb32688121 [0,2,0,0,0,0|1,0,1]=4 5089 B8R1.8 ClC\C=C1\CCSC1 Amb28128310 [0,2,0,0,0,0|1,0,0]=3 5090 B8R1.8 N#CC=C1CCCC1 Amb17672923 [0,2,0,0,0,0|2,0,0]=4 5091 B8R1.8 N#CCC1CCSC1 Amb35680724 [0,2,0,0,0,0|1,0,1]=4 5092 B8R1.8 N#C\C=C1/CCOC1 Amb33714532 [0,2,0,0,0,0|1,1,0]=4 5093 B8R1.8 NCCC1CCSC1 Amb18199484 [0,2,0,0,0,0|1,0,1]=4 5094 B8R1.8 NC\C=C1\CCSC1 Amb27163727 [0,2,0,0,0,0|1,0,0]=3 5095 B8R1.8 NNCC1CCSC1 Amb24113134 [0,2,0,0,0,0|1,0,1]=4 5096 B8R1.8 NNCC1CCSC1 Amb28437269 [0,2,0,0,0,0|1,0,1]=4 5097 B8R1.8 NOCC1CCSC1 Amb33141890 [0,2,0,0,0,0|0,0,2]=4 5098 B8R1.8 N\N=C\C1CCSC1 Amb27826213 [0,2,0,0,0,0|1,0,1]=4 5099 B8R1.8 O=C=CC1CCCC1 Amb27184572 [0,2,0,0,0,0|1,0,1]=4 5100 B8R1.8 O=C=NC1CCCC1 Amb901882 [0,2,0,0,0,0|1,0,1]=4 5101 B8R1.8 O=C=NC1CCOC1 Amb18944808 [0,2,0,0,0,0|0,1,1]=4 5102 B8R1.8 O=C=NC1CCSC1 Amb28315827 [0,2,0,0,0,0|0,0,1]=3 5103 B8R1.8 O=CCC1CCCC1 Amb17672924 [0,2,0,0,0,0|1,0,1]=4 5104 B8R1.8 O=CCC1CCNC1 Amb27201899 [0,2,0,0,0,0|1,0,1]=4 5105 B8R1.8 O=CCC1CCOC1 Amb22059267 [0,2,0,0,0,0|0,1,1]=4 5106 B8R1.8 O=CCC1CCSC1 Amb25924088 [0,2,0,0,0,0|0,0,1]=3 5107 B8R1.8 O=CCN1CCCC1 Amb33801466 [0,2,0,0,0,0|2,0,0]=4 5108 B8R1.8 O=CNC1CCCC1 Amb26611065 [0,2,0,0,0,0|1,0,1]=4 5109 B8R1.8 O=C\C=C1\CCCO1 Amb26868026 [0,2,0,0,0,0|2,0,0]=4 5110 B8R1.8 OCCC1CCSC1 Amb18202827 [0,2,0,0,0,0|0,0,2]=4 5111 B8R1.8 ONCC1=CCSC1 Amb35743802 [0,2,0,0,0,0|0,0,2]=4 5112 B8R1.8 ONCC1CCSC1 Amb27981633 [0,2,0,0,0,0|0,0,2]=4 5113 B8R1.8 SCCC1CCSC1 Amb33141475 [0,2,0,0,0,0|0,1,1]=4 5114 B8R1.8 SCCN1CCSC1 Amb22230991 [0,2,0,0,0,0|1,1,0]=4 5115 B8R1.8 [C-]#[N+]CC1CCSC1 Amb33141314 [0,2,0,0,0,0|1,0,1]=4 5116 B8R1.8 [N-]=[N+]=NC1CCSC1 Amb28502979 [0,2,0,0,0,0|1,0,1]=4 5117 B8R1.11 C=C1CCC[C@@H]1CO Amb27775869 [0,2,0,0,0,0|2,0,0]=4 5118 B8R1.11 C=C1CNCC1NC Amb27967218 [0,2,0,0,0,0|2,0,0]=4 5119 B8R1.11 C=C1CNC[C@H]1NC Amb28067689 [0,2,0,0,0,0|2,0,0]=4 5120 B8R1.11 C=C1COCC1CC Amb35646844 [0,2,0,0,0,0|1,1,0]=4 5121 B8R1.11 C=CC1=CCCC1=O Amb27854964 [0,2,0,0,0,0|1,0,1]=4 5122 B8R1.11 C=CC1CCNC1=O Amb27459841 [0,2,0,0,0,0|2,0,0]=4 5123 B8R1.11 C=CC1NCCC1=O Amb28073414 [0,2,0,0,0,0|1,0,0]=3 5124 B8R1.11 C=CN1CCCC1=O Amb15691738 [0,2,0,0,0,0|2,0,0]=4 5125 B8R1.11 C=CN1CCCC1=O Amb6608815 [0,2,0,0,0,0|2,0,0]=4 5126 B8R1.11 C=CN1CCCC1=O Amb8627756 [0,2,0,0,0,0|2,0,0]=4 5127 B8R1.11 CC1=C(C=O)CCO1 Amb28320103 [0,2,0,0,0,0|0,1,1]=4 5128 B8R1.11 CC1=C(C=O)SCC1 Amb18642671 [0,2,0,0,0,0|1,0,1]=4 5129 B8R1.11 CC1CCCC1C=O Amb18124243 [0,2,0,0,0,0|1,0,1]=4 5130 B8R1.11 CC1CCC\C1=N/N Amb27457539 [0,2,0,0,0,0|2,0,0]=4 5131 B8R1.11 CC1COCC1C=O Amb29882774 [0,2,0,0,0,0|0,1,1]=4 5132 B8R1.11 CC1COC\C1=N/N Amb35647017 [0,2,0,0,0,0|1,1,0]=4 5133 B8R1.11 CC1COC\C1=N/O Amb35646817 [0,2,0,0,0,0|0,1,1]=4 5134 B8R1.11 CC1CSC\C1=N/N Amb27837842 [0,2,0,0,0,0|1,0,0]=3 5135 B8R1.11 CC1OCCC1C=O Amb18641773 [0,2,0,0,0,0|0,1,1]=4 5136 B8R1.11 CC1OCCN1N=O Amb28343740 [0,2,0,0,0,0|1,1,0]=4 5137 B8R1.11 CC1SCCC1CN Amb27625343 [0,2,0,0,0,0|1,0,1]=4 5138 B8R1.11 CC1SCCC1NN Amb28397939 [0,2,0,0,0,0|1,0,1]=4 5139 B8R1.11 CC1SCCN1N=O Amb27391646 [0,2,0,0,0,0|1,0,0]=3 5140 B8R1.11 CCC1=CCCC1=O Amb17778667 [0,2,0,0,0,0|1,0,1]=4 5141 B8R1.11 CCC1CCCC1=O Amb16187019 [0,2,0,0,0,0|1,0,0]=3 5142 B8R1.11 CCC1CCNC1=O Amb19516780 [0,2,0,0,0,0|2,0,0]=4 5143 B8R1.11 CCC1CCOC1=O Amb23538353 [0,2,0,0,0,0|2,0,0]=4 5144 B8R1.11 CCC1CCSC1=O Amb27420755 [0,2,0,0,0,0|2,0,0]=4 5145 B8R1.11 CCC1COCC1=O Amb29866231 [0,2,0,0,0,0|0,1,0]=3 5146 B8R1.11 CCC1CSCC1Cl Amb28316137 [0,2,0,0,0,0|1,0,1]=4 5147 B8R1.11 CCC1CSCC1N Amb18202902 [0,2,0,0,0,0|1,0,1]=4 5148 B8R1.11 CCC1CSCC1O Amb28316138 [0,2,0,0,0,0|0,0,2]=4 5149 B8R1.11 CCC1NCCC1=O Amb18833066 [0,2,0,0,0,0|1,0,0]=3 5150 B8R1.11 CCC1OCCC1=O Amb28324362 [0,2,0,0,0,0|0,1,0]=3 5151 B8R1.11 CCC1SCCC1=O Amb27825839 [0,2,0,0,0,0|0,0,0]=2 5152 B8R1.11 CCC1SCCC1Br Amb28285217 [0,2,0,0,0,0|1,0,1]=4 5153 B8R1.11 CCC1SCCC1O Amb27409767 [0,2,0,0,0,0|0,0,2]=4 5154 B8R1.11 CCC1SCNC1=O Amb27838311 [0,2,0,0,0,0|1,0,0]=3 5155 B8R1.11 CCN1CCCC1=O Amb8390680 [0,2,0,0,0,0|2,0,0]=4 5156 B8R1.11 CCN1CNCC1=O Amb24391792 [0,2,0,0,0,0|2,0,0]=4 5157 B8R1.11 CCN1OCCC1=O Amb28197287 [0,2,0,0,0,0|1,1,0]=4 5158 B8R1.11 CC[C@@H]1CCCC1=O Amb27164677 [0,2,0,0,0,0|1,0,0]=3 5159 B8R1.11 CC[C@H]1CCCC1=O Amb27256510 [0,2,0,0,0,0|1,0,0]=3 5160 B8R1.11 CC[C@H]1SCC[C@H]1O Amb27625677 [0,2,0,0,0,0|0,0,2]=4 5161 B8R1.11 CN1CCSC1C#N Amb27653578 [0,2,0,0,0,0|2,0,0]=4 5162 B8R1.11 CN1CSCC1CO Amb28145118 [0,2,0,0,0,0|2,0,0]=4 5163 B8R1.11 CNC1=CCCC1=O Amb28457232 [0,2,0,0,0,0|1,0,1]=4 5164 B8R1.11 CNC1CCNC1=O Amb22059501 [0,2,0,0,0,0|2,0,0]=4 5165 B8R1.11 CNC1CCNC1=O Amb28990981 [0,2,0,0,0,0|2,0,0]=4 5166 B8R1.11 CNC1CCSC1=O Amb27234396 [0,2,0,0,0,0|2,0,0]=4 5167 B8R1.11 CNC1CCSC1C Amb28048962 [0,2,0,0,0,0|1,0,1]=4 5168 B8R1.11 CNC1CSCC1C Amb27234038 [0,2,0,0,0,0|1,0,1]=4 5169 B8R1.11 CN[C@H]1CCNC1=O Amb28042561 [0,2,0,0,0,0|2,0,0]=4 5170 B8R1.11 CN[C@H]1CCOC1=O Amb28288608 [0,2,0,0,0,0|2,0,0]=4 5171 B8R1.11 COC1=CCCC1=O Amb28316240 [0,2,0,0,0,0|1,0,1]=4 5172 B8R1.11 COC1CCCC1=O Amb24573567 [0,2,0,0,0,0|1,0,0]=3 5173 B8R1.11 COC1CCOC1=O Amb28127714 [0,2,0,0,0,0|2,0,0]=4 5174 B8R1.11 COC1SC=CC1=O Amb26977842 [0,2,0,0,0,0|0,0,2]=4 5175 B8R1.11 COC1SCCC1Br Amb27794715 [0,2,0,0,0,0|1,0,1]=4 5176 B8R1.11 CO[C@@H]1CC=CC1=O Amb27260476 [0,2,0,0,0,0|1,0,1]=4 5177 B8R1.11 CO[C@H]1CC=CC1=O Amb27262725 [0,2,0,0,0,0|1,0,1]=4 5178 B8R1.11 CSC1=CCCC1=O Amb28351431 [0,2,0,0,0,0|1,0,1]=4 5179 B8R1.11 C[C@@H]1CCC[C@H]1C=O Amb28146820 [0,2,0,0,0,0|1,0,1]=4 5180 B8R1.11 C[C@H]1CCC=C1C=O Amb28251104 [0,2,0,0,0,0|1,0,1]=4 5181 B8R1.11 C\C=C1\CCCC1=O Amb25205820 [0,2,0,0,0,0|1,0,1]=4 5182 B8R1.11 N#CC1=C(N)SCC1 Amb27961195 [0,2,0,0,0,0|1,0,1]=4 5183 B8R1.11 N#CC1=CCCC1=O Amb28253685 [0,2,0,0,0,0|1,0,1]=4 5184 B8R1.11 N#CC1=CSCC1=O Amb28053946 [0,2,0,0,0,0|0,0,2]=4 5185 B8R1.11 N#CC1CCCC1=N Amb4036622 [0,2,0,0,0,0|2,0,0]=4 5186 B8R1.11 N#CC1CCCC1=O Amb9774970 [0,2,0,0,0,0|1,0,0]=3 5187 B8R1.11 N#CC1CCNC1=O Amb24053097 [0,2,0,0,0,0|2,0,0]=4 5188 B8R1.11 N#CC1CCOC1=O Amb6669560 [0,2,0,0,0,0|2,0,0]=4 5189 B8R1.11 N#CC1CCSC1=O Amb28206797 [0,2,0,0,0,0|2,0,0]=4 5190 B8R1.11 N#CC1CNCC1=O Amb22297522 [0,2,0,0,0,0|1,0,0]=3 5191 B8R1.11 N#CC1COCC1=O Amb24183529 [0,2,0,0,0,0|0,1,0]=3 5192 B8R1.11 N#CC1CSCC1=O Amb597776 [0,2,0,0,0,0|0,0,0]=2 5193 B8R1.11 N#CN1CCCC1=O Amb27784093 [0,2,0,0,0,0|2,0,0]=4 5194 B8R1.11 N#C[C@H]1CCCC1=O Amb25979444 [0,2,0,0,0,0|1,0,0]=3 5195 B8R1.11 NCC1CCCC1=O Amb18833069 [0,2,0,0,0,0|1,0,0]=3 5196 B8R1.11 NCC1CCCC1=O Amb28934823 [0,2,0,0,0,0|1,0,0]=3 5197 B8R1.11 NCC1CCCS1=O Amb27872352 [0,2,0,0,0,0|2,0,0]=4 5198 B8R1.11 NCC1CCNC1=O Amb18833033 [0,2,0,0,0,0|2,0,0]=4 5199 B8R1.11 NCC1CCOC1=O Amb28398456 [0,2,0,0,0,0|2,0,0]=4 5200 B8R1.11 NCC1CCOC1=O Amb32653583 [0,2,0,0,0,0|2,0,0]=4 5201 B8R1.11 NCC1CSCC1=O Amb24529601 [0,2,0,0,0,0|0,0,0]=2 5202 B8R1.11 NCC1CSCC1O Amb18203161 [0,2,0,0,0,0|0,0,2]=4 5203 B8R1.11 NNC1CNNC1=O Amb28057143 [0,2,0,0,0,0|2,0,0]=4 5204 B8R1.11 N\C=C1/CCCC1=O Amb28324124 [0,2,0,0,0,0|1,0,1]=4 5205 B8R1.11 O=C1C=CCC1CO Amb27802494 [0,2,0,0,0,0|1,0,1]=4 5206 B8R1.11 O=C1CCC=C1CBr Amb27232822 [0,2,0,0,0,0|1,0,1]=4 5207 B8R1.11 O=C1CCCC1CCl Amb25111572 [0,2,0,0,0,0|1,0,0]=3 5208 B8R1.11 O=C1CCCC1CO Amb22491993 [0,2,0,0,0,0|1,0,0]=3 5209 B8R1.11 O=C1CCCN1CBr Amb24082678 [0,2,0,0,0,0|2,0,0]=4 5210 B8R1.11 O=C1CCCN1CCl Amb2793504 [0,2,0,0,0,0|2,0,0]=4 5211 B8R1.11 O=C1CCCN1CO Amb33552754 [0,2,0,0,0,0|2,0,0]=4 5212 B8R1.11 O=C1CCC[C@@H]1CO Amb28049022 [0,2,0,0,0,0|1,0,0]=3 5213 B8R1.11 O=C1CCC\C1=C/[O-] Amb19515665 [0,2,0,0,0,0|1,0,1]=4 5214 B8R1.11 O=C1CCC\C1=C\O Amb32439040 [0,2,0,0,0,0|1,0,1]=4 5215 B8R1.11 O=C1CCO\C1=C\O Amb25929807 [0,2,0,0,0,0|0,1,1]=4 5216 B8R1.11 O=C1CCSN1CCl Amb27197784 [0,2,0,0,0,0|1,0,0]=3 5217 B8R1.11 O=C1NCCC1CO Amb33531235 [0,2,0,0,0,0|2,0,0]=4 5218 B8R1.11 O=C1NCS\C1=N\O Amb28366103 [0,2,0,0,0,0|1,0,1]=4 5219 B8R1.11 O=C1OCCC1CO Amb26431337 [0,2,0,0,0,0|2,0,0]=4 5220 B8R1.11 O=C1OCOC1CCl Amb28367648 [0,2,0,0,0,0|1,1,0]=4 5221 B8R1.11 O=C1SCCC1CO Amb17593391 [0,2,0,0,0,0|2,0,0]=4 5222 B8R1.11 O=CC1=C(Cl)CCC1 Amb17593382 [0,2,0,0,0,0|1,0,1]=4 5223 B8R1.11 O=CC1CCCC1=O Amb24480732 [0,2,0,0,0,0|1,0,0]=3 5224 B8R1.11 O=CC1CCCC1O Amb28048922 [0,2,0,0,0,0|1,0,1]=4 5225 B8R1.11 O=CC1CCOC1=O Amb17593177 [0,2,0,0,0,0|2,0,0]=4 5226 B8R1.11 O=CC1COCC1=O Amb27165171 [0,2,0,0,0,0|0,1,0]=3 5227 B8R1.11 O=CN1CCCC1=O Amb28293371 [0,2,0,0,0,0|2,0,0]=4 5228 B8R1.11 O=CN1CCCC1O Amb27857600 [0,2,0,0,0,0|2,0,0]=4 5229 B8R1.11 O=NN1CCCC1=O Amb27837848 [0,2,0,0,0,0|2,0,0]=4 5230 B8R1.11 O\N=C1/CCCC1O Amb28069662 [0,2,0,0,0,0|1,0,1]=4 5231 B8R1.52 C=CC1(O)CCSC1 Amb28062723 [0,2,0,0,0,0|0,0,2]=4 5232 B8R1.52 CC1(C=O)CCCC1 Amb18641706 [0,2,0,0,0,0|1,0,1]=4 5233 B8R1.52 CC1(C=O)CCOC1 Amb18641777 [0,2,0,0,0,0|0,1,1]=4 5234 B8R1.52 CC1(CN)CCSC1 Amb28255874 [0,2,0,0,0,0|1,0,1]=4 5235 B8R1.52 CCC1(O)CCSC1 Amb27185566 [0,2,0,0,0,0|0,0,2]=4 5236 B8R1.52 N#CC1(Br)CCSC1 Amb28348031 [0,2,0,0,0,0|1,0,1]=4 5237 B8R1.52 N#CC1(N)CCSC1 Amb9704515 [0,2,0,0,0,0|1,0,1]=4 5238 B8R1.52 NC1(CO)CCSC1 Amb18944443 [0,2,0,0,0,0|0,0,2]=4 5239 B8R1.52 NCC1(F)CCSC1 Amb27224302 [0,2,0,0,0,0|1,0,1]=4 5240 B8R1.52 NCC1(O)CCSC1 Amb20623677 [0,2,0,0,0,0|0,0,2]=4 5241 B8R1.52 O=CC1(Br)CCCC1 Amb25758600 [0,2,0,0,0,0|1,0,1]=4 5242 B8R1.52 O=CC1(Cl)CCCC1 Amb35788343 [0,2,0,0,0,0|1,0,1]=4 5243 B8R1.52 O=CC1(F)CCCC1 Amb27948601 [0,2,0,0,0,0|1,0,1]=4 5244 B8R1.52 O=CC1(O)CCCC1 Amb18124253 [0,2,0,0,0,0|1,0,1]=4 5245 B8R1.52 OCC1(F)CCSC1 Amb27782192 [0,2,0,0,0,0|0,0,2]=4 5246 B8R1.52 OCC1(O)CCSC1 Amb24116839 [0,2,0,0,0,0|0,0,2]=4 5247 B8R1.18 C=C1CC(=O)CC1=C Amb27206694 [0,2,0,0,0,0|1,0,1]=4 5248 B8R1.18 CC1=CC(=O)C(Br)C1 Amb28284387 [0,2,0,0,0,0|1,0,1]=4 5249 B8R1.18 CC1=CC(=O)C(C)C1 Amb24647798 [0,2,0,0,0,0|1,0,1]=4 5250 B8R1.18 CC1=CC(=O)C(Cl)C1 Amb27750318 [0,2,0,0,0,0|1,0,1]=4 5251 B8R1.18 CC1=CC(=O)CC1C Amb16191977 [0,2,0,0,0,0|1,0,1]=4 5252 B8R1.18 CC1=CC(=O)C[C@@H]1C Amb28316193 [0,2,0,0,0,0|1,0,1]=4 5253 B8R1.18 CC1=CC(=O)C[C@H]1C Amb28316192 [0,2,0,0,0,0|1,0,1]=4 5254 B8R1.18 CC1=CC(C)C(=O)C1 Amb28049000 [0,2,0,0,0,0|1,0,1]=4 5255 B8R1.18 CC1=C[C@H](O)CC1=O Amb28316153 [0,2,0,0,0,0|1,0,1]=4 5256 B8R1.18 CC1=NC(C)SC1C Amb26353202 [0,2,0,0,0,0|2,0,0]=4 5257 B8R1.18 CC1CC(=O)C(=O)C1 Amb27256511 [0,2,0,0,0,0|1,0,1]=4 5258 B8R1.18 CC1CC(=O)C(C)C1 Amb26510571 [0,2,0,0,0,0|1,0,0]=3 5259 B8R1.18 CC1CC(=O)C(C)O1 Amb26869093 [0,2,0,0,0,0|0,1,0]=3 5260 B8R1.18 CC1CC(=O)CC1C Amb25933629 [0,2,0,0,0,0|1,0,0]=3 5261 B8R1.18 CC1CC(=O)CN1C Amb20669273 [0,2,0,0,0,0|1,0,0]=3 5262 B8R1.18 CC1CC(=O)N(C)C1 Amb10068268 [0,2,0,0,0,0|2,0,0]=4 5263 B8R1.18 CC1CC(=O)N(C)N1 Amb16233050 [0,2,0,0,0,0|2,0,0]=4 5264 B8R1.18 CC1CC(=O)NC1=O Amb10609734 [0,2,0,0,0,0|2,0,0]=4 5265 B8R1.18 CC1CC(=O)NC1C Amb20623595 [0,2,0,0,0,0|2,0,0]=4 5266 B8R1.18 CC1CC(=O)NC1O Amb27975748 [0,2,0,0,0,0|2,0,0]=4 5267 B8R1.18 CC1CC(=O)OC1=O Amb3940407 [0,2,0,0,0,0|2,0,0]=4 5268 B8R1.18 CC1CC(=O)OC1C Amb27873473 [0,2,0,0,0,0|2,0,0]=4 5269 B8R1.18 CC1CC(=O)OC1O Amb26536810 [0,2,0,0,0,0|2,0,0]=4 5270 B8R1.18 CC1CC(Br)C(=O)O1 Amb6608903 [0,2,0,0,0,0|2,0,0]=4 5271 B8R1.18 CC1CC(C)C(=O)N1 Amb24698782 [0,2,0,0,0,0|2,0,0]=4 5272 B8R1.18 CC1CC(C)C(=O)O1 Amb4017434 [0,2,0,0,0,0|2,0,0]=4 5273 B8R1.18 CC1CC(N)C(=O)O1 Amb32653104 [0,2,0,0,0,0|2,0,0]=4 5274 B8R1.18 CC1CC(N)C(=O)O1 Amb448594 [0,2,0,0,0,0|2,0,0]=4 5275 B8R1.18 CC1CC(O)C(=O)N1 Amb27784846 [0,2,0,0,0,0|2,0,0]=4 5276 B8R1.18 CC1CC(O)C(=O)O1 Amb27451083 [0,2,0,0,0,0|2,0,0]=4 5277 B8R1.18 CC1CN(C)CC1=O Amb20622328 [0,2,0,0,0,0|1,0,0]=3 5278 B8R1.18 CC1C[C@@H](C)CC1=O Amb27424916 [0,2,0,0,0,0|1,0,0]=3 5279 B8R1.18 CC1C[C@H](N)C(=O)O1 Amb27844768 [0,2,0,0,0,0|2,0,0]=4 5280 B8R1.18 CC1NC(=O)C(C)N1 Amb24481399 [0,2,0,0,0,0|2,0,0]=4 5281 B8R1.18 CC1NC(=O)C(C)S1 Amb27784375 [0,2,0,0,0,0|1,0,0]=3 5282 B8R1.18 CC1NC(=O)CC1=O Amb23598276 [0,2,0,0,0,0|1,0,1]=4 5283 B8R1.18 CC1NC(=O)CC1O Amb27792924 [0,2,0,0,0,0|2,0,0]=4 5284 B8R1.18 CC1NC(=O)[C@H](C)N1 Amb28284134 [0,2,0,0,0,0|2,0,0]=4 5285 B8R1.18 CC1OC(=O)CC1=O Amb28290899 [0,2,0,0,0,0|0,1,1]=4 5286 B8R1.18 CC1SC(=N)NC1=O Amb2792627 [0,2,0,0,0,0|1,0,1]=4 5287 B8R1.18 CC1SC(=O)NC1=O Amb21857287 [0,2,0,0,0,0|1,0,1]=4 5288 B8R1.18 CC1SC(=S)NC1=O Amb27794294 [0,2,0,0,0,0|1,0,1]=4 5289 B8R1.18 CC1SC(N)=NC1=O Amb6377861 [0,2,0,0,0,0|1,0,1]=4 5290 B8R1.18 CN1CC(=O)CC1=O Amb33543710 [0,2,0,0,0,0|1,0,1]=4 5291 B8R1.18 CN1CC(N)C(=O)N1 Amb25872890 [0,2,0,0,0,0|2,0,0]=4 5292 B8R1.18 CN1CC(N)CC1=O Amb19373494 [0,2,0,0,0,0|2,0,0]=4 5293 B8R1.18 CN1CC(N)CC1=O Amb8010271 [0,2,0,0,0,0|2,0,0]=4 5294 B8R1.18 CN1CC(O)CC1=O Amb22059466 [0,2,0,0,0,0|2,0,0]=4 5295 B8R1.18 CN1CC(S)CC1=O Amb26845504 [0,2,0,0,0,0|2,0,0]=4 5296 B8R1.18 CN1CS(=O)CC1=O Amb24579772 [0,2,0,0,0,0|1,0,1]=4 5297 B8R1.18 CN1C[C@@H](N)CC1=O Amb24401527 [0,2,0,0,0,0|2,0,0]=4 5298 B8R1.18 CN1C[C@@H](O)CC1=O Amb27806160 [0,2,0,0,0,0|2,0,0]=4 5299 B8R1.18 CN1C[C@H](N)CC1=O Amb33295339 [0,2,0,0,0,0|2,0,0]=4 5300 B8R1.18 CN1C[C@H](O)CC1=O Amb25762416 [0,2,0,0,0,0|2,0,0]=4 5301 B8R1.18 CN1SC(Cl)CC1=O Amb27786768 [0,2,0,0,0,0|1,0,0]=3 5302 B8R1.18 C[C@@H]1C=C(Br)C(=O)C1 Amb28318219 [0,2,0,0,0,0|1,0,1]=4 5303 B8R1.18 C[C@@H]1CC(=O)C[C@H]1C Amb24470272 [0,2,0,0,0,0|1,0,0]=3 5304 B8R1.18 C[C@@H]1CC(=O)OC1=O Amb25791861 [0,2,0,0,0,0|2,0,0]=4 5305 B8R1.18 C[C@@H]1C[C@@H](Cl)C(=O)O1 Amb25288126 [0,2,0,0,0,0|2,0,0]=4 5306 B8R1.18 C[C@@H]1NC(=O)CC1=O Amb18833079 [0,2,0,0,0,0|1,0,1]=4 5307 B8R1.18 C[C@@H]1OC(=O)C[C@H]1Cl Amb27252234 [0,2,0,0,0,0|2,0,0]=4 5308 B8R1.18 C[C@@H]1S[C@H](C)NC1=O Amb27857156 [0,2,0,0,0,0|1,0,0]=3 5309 B8R1.18 C[C@H]1CC(=O)C[C@H]1C Amb22230244 [0,2,0,0,0,0|1,0,0]=3 5310 B8R1.18 C[C@H]1CC(=O)NC1=O Amb28119095 [0,2,0,0,0,0|2,0,0]=4 5311 B8R1.18 C[C@H]1CC(=O)OC1=O Amb2609932 [0,2,0,0,0,0|2,0,0]=4 5312 B8R1.18 C[C@H]1CC(=O)O[C@H]1C Amb27471867 [0,2,0,0,0,0|2,0,0]=4 5313 B8R1.18 C[C@H]1CC(=O)[C@H](C)C1 Amb28429622 [0,2,0,0,0,0|1,0,0]=3 5314 B8R1.18 C[C@H]1CC(=O)[C@H](C)O1 Amb28246509 [0,2,0,0,0,0|0,1,0]=3 5315 B8R1.18 C[C@H]1C[C@@H](C)C(=O)O1 Amb28060142 [0,2,0,0,0,0|2,0,0]=4 5316 B8R1.18 C[C@H]1C[C@@H](C)NC1=O Amb27619178 [0,2,0,0,0,0|2,0,0]=4 5317 B8R1.18 C[C@H]1C[C@H](O)C(=O)O1 Amb27852763 [0,2,0,0,0,0|2,0,0]=4 5318 B8R1.18 C[C@H]1NC(=O)C[C@@H]1O Amb28128239 [0,2,0,0,0,0|2,0,0]=4 5319 B8R1.18 C[C@H]1NC(=O)C[C@@H]1S Amb28388503 [0,2,0,0,0,0|2,0,0]=4 5320 B8R1.18 C[C@H]1NC(=O)C[C@H]1O Amb28131156 [0,2,0,0,0,0|2,0,0]=4 5321 B8R1.18 C[C@H]1NC(=O)C[C@H]1S Amb27621424 [0,2,0,0,0,0|2,0,0]=4 5322 B8R1.18 C[C@H]1OC(=O)C[C@@H]1N Amb27973900 [0,2,0,0,0,0|2,0,0]=4 5323 B8R1.18 C[C@H]1OC(=O)C[C@H]1O Amb27775518 [0,2,0,0,0,0|2,0,0]=4 5324 B8R1.18 NC1CC(=O)CC1N Amb27486601 [0,2,0,0,0,0|1,0,0]=3 5325 B8R1.18 NC1CC(=O)NC1=O Amb30585083 [0,2,0,0,0,0|2,0,0]=4 5326 B8R1.18 NC1CC(=O)NC1=O Amb9502460 [0,2,0,0,0,0|2,0,0]=4 5327 B8R1.18 NC1CC(=O)OC1=O Amb27216215 [0,2,0,0,0,0|2,0,0]=4 5328 B8R1.18 NC1SC(=O)NC1=O Amb2794365 [0,2,0,0,0,0|1,0,1]=4 5329 B8R1.18 N[C@@H]1CC(=O)OC1=O Amb25992097 [0,2,0,0,0,0|2,0,0]=4 5330 B8R1.18 N[C@@H]1CC(=O)OC1=O Amb8631355 [0,2,0,0,0,0|2,0,0]=4 5331 B8R1.18 N[C@H]1CC(=O)NC1=O Amb17134612 [0,2,0,0,0,0|2,0,0]=4 5332 B8R1.18 N[C@H]1CC(=O)OC1=O Amb24745675 [0,2,0,0,0,0|2,0,0]=4 5333 B8R1.18 N[C@H]1CC(=O)O[C@H]1O Amb28196677 [0,2,0,0,0,0|2,0,0]=4 5334 B8R1.18 O=C1CC(=O)C(=O)C1 Amb28126773 [0,2,0,0,0,0|1,0,1]=4 5335 B8R1.18 O=C1CC(=O)C(O)C1 Amb24330382 [0,2,0,0,0,0|1,0,0]=3 5336 B8R1.18 O=C1CC(Cl)C(=O)O1 Amb24677749 [0,2,0,0,0,0|2,0,0]=4 5337 B8R1.18 O=C1CC(O)C(=O)O1 Amb27399619 [0,2,0,0,0,0|2,0,0]=4 5338 B8R1.18 O=C1CC(O)C=C1Br Amb27211868 [0,2,0,0,0,0|1,0,1]=4 5339 B8R1.18 O=C1CC(O)C=C1Cl Amb28048923 [0,2,0,0,0,0|1,0,1]=4 5340 B8R1.18 O=C1CC(O)NC1=O Amb27596054 [0,2,0,0,0,0|1,0,1]=4 5341 B8R1.18 O=C1C[C@@H](F)C(=O)O1 Amb28286140 [0,2,0,0,0,0|2,0,0]=4 5342 B8R1.18 O=C1C[C@@H](O)C=C1Br Amb27256534 [0,2,0,0,0,0|1,0,1]=4 5343 B8R1.18 O=C1C[C@@H](O)C=C1Cl Amb28144065 [0,2,0,0,0,0|1,0,1]=4 5344 B8R1.18 O=C1C[C@@H](O)[C@H](O)C1 Amb27841798 [0,2,0,0,0,0|1,0,0]=3 5345 B8R1.18 O=C1C[C@H](F)C(=O)O1 Amb27406936 [0,2,0,0,0,0|2,0,0]=4 5346 B8R1.18 O=C1NC(=O)C(Br)S1 Amb2436078 [0,2,0,0,0,0|1,0,1]=4 5347 B8R1.18 O=C1OC(O)CC1O Amb27761542 [0,2,0,0,0,0|2,0,0]=4 5348 B8R1.18 O=S1CC(O)C(O)C1 Amb27954779 [0,2,0,0,0,0|2,0,0]=4 5349 B8R1.50 C=C1C(=O)CCC1C Amb27199153 [0,2,0,0,0,0|1,0,1]=4 5350 B8R1.50 C=C1C(O)CCC1O Amb27205750 [0,2,0,0,0,0|2,0,0]=4 5351 B8R1.50 C=C1CCC(O)C1C Amb27858013 [0,2,0,0,0,0|2,0,0]=4 5352 B8R1.50 C=C1COC(C)C1C Amb29856199 [0,2,0,0,0,0|1,1,0]=4 5353 B8R1.50 CC1=C(Br)C(=O)CC1 Amb10067495 [0,2,0,0,0,0|1,0,1]=4 5354 B8R1.50 CC1=C(C)C(=O)CC1 Amb22351730 [0,2,0,0,0,0|1,0,1]=4 5355 B8R1.50 CC1=C(Cl)CCC1=O Amb27972997 [0,2,0,0,0,0|1,0,1]=4 5356 B8R1.50 CC1=C(O)C(=O)CC1 Amb4004294 [0,2,0,0,0,0|1,0,1]=4 5357 B8R1.50 CC1=C(O)C(=O)CS1 Amb27273133 [0,2,0,0,0,0|0,0,2]=4 5358 B8R1.50 CC1=CCC(=O)C1O Amb27828885 [0,2,0,0,0,0|1,0,1]=4 5359 B8R1.50 CC1=CCC(C)C1=O Amb17778666 [0,2,0,0,0,0|1,0,1]=4 5360 B8R1.50 CC1=CSC(C)C1=O Amb28124245 [0,2,0,0,0,0|0,0,2]=4 5361 B8R1.50 CC1C(=O)CCC1=O Amb974862 [0,2,0,0,0,0|1,0,0]=3 5362 B8R1.50 CC1C(=O)CCN1C Amb24453852 [0,2,0,0,0,0|1,0,0]=3 5363 B8R1.50 CC1C(=O)COC1=O Amb4035239 [0,2,0,0,0,0|0,1,1]=4 5364 B8R1.50 CC1C(=O)NCN1C Amb28128324 [0,2,0,0,0,0|2,0,0]=4 5365 B8R1.50 CC1C(=O)NCS1=O Amb27630693 [0,2,0,0,0,0|1,0,1]=4 5366 B8R1.50 CC1C(=O)OC[C@@H]1O Amb27208229 [0,2,0,0,0,0|2,0,0]=4 5367 B8R1.50 CC1C(=O)OC[C@H]1O Amb27484790 [0,2,0,0,0,0|2,0,0]=4 5368 B8R1.50 CC1C=CC(C)C1=O Amb28202330 [0,2,0,0,0,0|1,0,1]=4 5369 B8R1.50 CC1CCC(=O)C1=O Amb4477353 [0,2,0,0,0,0|1,0,1]=4 5370 B8R1.50 CC1CCC(=O)C1C Amb27485174 [0,2,0,0,0,0|1,0,0]=3 5371 B8R1.50 CC1CCC(=O)C1N Amb25675652 [0,2,0,0,0,0|1,0,0]=3 5372 B8R1.50 CC1CCC(=O)N1C Amb15693449 [0,2,0,0,0,0|2,0,0]=4 5373 B8R1.50 CC1CCC(C)C1=O Amb27198252 [0,2,0,0,0,0|1,0,0]=3 5374 B8R1.50 CC1CCC(F)C1=O Amb32656355 [0,2,0,0,0,0|1,0,0]=3 5375 B8R1.50 CC1CCN(C)C1=O Amb10068267 [0,2,0,0,0,0|2,0,0]=4 5376 B8R1.50 CC1CNC(=O)C1C Amb24334186 [0,2,0,0,0,0|2,0,0]=4 5377 B8R1.50 CC1COC(=O)C1=O Amb27262699 [0,2,0,0,0,0|0,1,1]=4 5378 B8R1.50 CC1COC(=O)C1Br Amb27401963 [0,2,0,0,0,0|2,0,0]=4 5379 B8R1.50 CC1NCC(=O)N1C Amb24742108 [0,2,0,0,0,0|2,0,0]=4 5380 B8R1.50 CC1NCN(C)C1=O Amb18641804 [0,2,0,0,0,0|2,0,0]=4 5381 B8R1.50 CC1NCN(C)C1=O Amb32664413 [0,2,0,0,0,0|2,0,0]=4 5382 B8R1.50 CC1NCN(O)C1=O Amb28251778 [0,2,0,0,0,0|2,0,0]=4 5383 B8R1.50 CC1NNC(=O)C1C Amb35693716 [0,2,0,0,0,0|2,0,0]=4 5384 B8R1.50 CC1OCC(=O)C1C Amb29866230 [0,2,0,0,0,0|0,1,0]=3 5385 B8R1.50 CC1OCC(=O)C1O Amb28131956 [0,2,0,0,0,0|0,1,0]=3 5386 B8R1.50 CC1OCC(O)C1=O Amb28048942 [0,2,0,0,0,0|0,1,0]=3 5387 B8R1.50 CC1SC[C@@H](N)[C@H]1N Amb27629648 [0,2,0,0,0,0|1,0,1]=4 5388 B8R1.50 CN1C(=O)CCC1=O Amb6368854 [0,2,0,0,0,0|2,0,0]=4 5389 B8R1.50 CN1C(=O)CCC1O Amb17615583 [0,2,0,0,0,0|2,0,0]=4 5390 B8R1.50 CN1C(=O)CSC1=O Amb1883006 [0,2,0,0,0,0|1,0,1]=4 5391 B8R1.50 CN1C(=O)CSC1=S Amb2526313 [0,2,0,0,0,0|1,0,1]=4 5392 B8R1.50 CN1CCC(=O)C1=O Amb24183817 [0,2,0,0,0,0|1,0,1]=4 5393 B8R1.50 CN1CCC(Br)C1=O Amb19514590 [0,2,0,0,0,0|2,0,0]=4 5394 B8R1.50 CN1CCC(Cl)C1=O Amb26433662 [0,2,0,0,0,0|2,0,0]=4 5395 B8R1.50 CN1CCC(N)C1=O Amb22491599 [0,2,0,0,0,0|2,0,0]=4 5396 B8R1.50 CN1CCC(N)C1=O Amb33538759 [0,2,0,0,0,0|2,0,0]=4 5397 B8R1.50 CN1CCC(O)C1=O Amb20622738 [0,2,0,0,0,0|2,0,0]=4 5398 B8R1.50 CN1CC[C@@H](N)C1=O Amb25303747 [0,2,0,0,0,0|2,0,0]=4 5399 B8R1.50 CN1CC[C@H](N)C1=O Amb25889201 [0,2,0,0,0,0|2,0,0]=4 5400 B8R1.50 CN1OCC(Br)C1=O Amb28396643 [0,2,0,0,0,0|1,1,0]=4 5401 B8R1.50 CN1OCC(N)C1=O Amb25867269 [0,2,0,0,0,0|1,1,0]=4 5402 B8R1.50 C[C@@H]1C(=O)C=C[C@H]1O Amb27785473 [0,2,0,0,0,0|1,0,1]=4 5403 B8R1.50 C[C@@H]1C(=O)CCN1C Amb18833064 [0,2,0,0,0,0|1,0,0]=3 5404 B8R1.50 C[C@@H]1C(=O)CC[C@@H]1O Amb28253966 [0,2,0,0,0,0|1,0,0]=3 5405 B8R1.50 C[C@@H]1C(=O)NC[C@H]1O Amb27881742 [0,2,0,0,0,0|2,0,0]=4 5406 B8R1.50 C[C@@H]1C(=O)OC[C@@H]1N Amb28055949 [0,2,0,0,0,0|2,0,0]=4 5407 B8R1.50 C[C@@H]1CNC(=O)[C@@H]1N Amb27488737 [0,2,0,0,0,0|2,0,0]=4 5408 B8R1.50 C[C@@H]1CNC(=O)[C@H]1C Amb27437481 [0,2,0,0,0,0|2,0,0]=4 5409 B8R1.50 C[C@@H]1COC(=O)[C@@H]1C Amb28411565 [0,2,0,0,0,0|2,0,0]=4 5410 B8R1.50 C[C@@H]1NCN(C)C1=O Amb27882405 [0,2,0,0,0,0|2,0,0]=4 5411 B8R1.50 C[C@H]1C(=O)OC[C@H]1N Amb27635064 [0,2,0,0,0,0|2,0,0]=4 5412 B8R1.50 C[C@H]1C=CC(=O)[C@@H]1Cl Amb27881804 [0,2,0,0,0,0|1,0,1]=4 5413 B8R1.50 C[C@H]1C=C[C@@H](C)C1=O Amb28316115 [0,2,0,0,0,0|1,0,1]=4 5414 B8R1.50 C[C@H]1CC[C@H](C)C1=O Amb27434148 [0,2,0,0,0,0|1,0,0]=3 5415 B8R1.50 C[C@H]1CNC(=O)[C@@H]1C Amb27783966 [0,2,0,0,0,0|2,0,0]=4 5416 B8R1.50 N=C1COC(=O)C1N Amb27839054 [0,2,0,0,0,0|2,0,0]=4 5417 B8R1.50 NC1=C(O)CCC1=O Amb27203866 [0,2,0,0,0,0|1,0,1]=4 5418 B8R1.50 NC1C(=O)CCC1=O Amb27409660 [0,2,0,0,0,0|1,0,0]=3 5419 B8R1.50 NC1CCN(O)C1=O Amb8631273 [0,2,0,0,0,0|2,0,0]=4 5420 B8R1.50 NC1CNC(=O)C1N Amb18641832 [0,2,0,0,0,0|2,0,0]=4 5421 B8R1.50 NN1C(=O)CCC1=O Amb24323275 [0,2,0,0,0,0|2,0,0]=4 5422 B8R1.50 NN1C(=O)CSC1=S Amb1151961 [0,2,0,0,0,0|1,0,1]=4 5423 B8R1.50 N[C@@H]1C(=O)NC[C@@H]1O Amb27420900 [0,2,0,0,0,0|2,0,0]=4 5424 B8R1.50 N[C@@H]1C(=O)NC[C@H]1O Amb28289413 [0,2,0,0,0,0|2,0,0]=4 5425 B8R1.50 N[C@@H]1C(=O)OC[C@@H]1O Amb24697759 [0,2,0,0,0,0|2,0,0]=4 5426 B8R1.50 N[C@@H]1C(=O)OC[C@@H]1O Amb32751750 [0,2,0,0,0,0|2,0,0]=4 5427 B8R1.50 N[C@@H]1C(=O)OC[C@H]1O Amb27202409 [0,2,0,0,0,0|2,0,0]=4 5428 B8R1.50 N[C@@H]1CCN(O)C1=O Amb22362895 [0,2,0,0,0,0|2,0,0]=4 5429 B8R1.50 N[C@H]1C(=O)NC[C@H]1O Amb28346232 [0,2,0,0,0,0|2,0,0]=4 5430 B8R1.50 N[C@H]1C(=O)OC[C@@H]1O Amb27620425 [0,2,0,0,0,0|2,0,0]=4 5431 B8R1.50 N[C@H]1CCN(O)C1=O Amb25345964 [0,2,0,0,0,0|2,0,0]=4 5432 B8R1.50 O=C1C(F)CCC1F Amb28316127 [0,2,0,0,0,0|1,0,0]=3 5433 B8R1.50 O=C1C=CC(O)C1Cl Amb27863645 [0,2,0,0,0,0|1,0,1]=4 5434 B8R1.50 O=C1C=C[C@@H](O)[C@@H]1Cl Amb28324060 [0,2,0,0,0,0|1,0,1]=4 5435 B8R1.50 O=C1CCC(=O)C1Br Amb10975590 [0,2,0,0,0,0|1,0,0]=3 5436 B8R1.50 O=C1CCC(=O)C1Cl Amb27471835 [0,2,0,0,0,0|1,0,0]=3 5437 B8R1.50 O=C1CCC(=O)C1O Amb24443990 [0,2,0,0,0,0|1,0,0]=3 5438 B8R1.50 O=C1CCC(=O)N1Br Amb2685488 [0,2,0,0,0,0|2,0,0]=4 5439 B8R1.50 O=C1CCC(=O)N1Cl Amb6609006 [0,2,0,0,0,0|2,0,0]=4 5440 B8R1.50 O=C1CCC(=O)N1I Amb2688884 [0,2,0,0,0,0|2,0,0]=4 5441 B8R1.50 O=C1CCC(=O)N1O Amb1152089 [0,2,0,0,0,0|2,0,0]=4 5442 B8R1.50 O=C1CCC(Br)=C1O Amb24677469 [0,2,0,0,0,0|1,0,1]=4 5443 B8R1.50 O=C1CCC(Cl)=C1Cl Amb27409520 [0,2,0,0,0,0|1,0,1]=4 5444 B8R1.50 O=C1CCC(Cl)=C1O Amb28316155 [0,2,0,0,0,0|1,0,1]=4 5445 B8R1.50 O=C1CCC(F)C1Br Amb27875964 [0,2,0,0,0,0|1,0,0]=3 5446 B8R1.50 O=C1CCC(O)=C1Br Amb25205766 [0,2,0,0,0,0|1,0,1]=4 5447 B8R1.50 O=C1CCC(O)=C1O Amb17593179 [0,2,0,0,0,0|1,0,1]=4 5448 B8R1.50 O=C1CCC(O)N1O Amb27214701 [0,2,0,0,0,0|2,0,0]=4 5449 B8R1.50 O=C1CC[C@H](O)[C@@H]1O Amb28253888 [0,2,0,0,0,0|1,0,0]=3 5450 B8R1.50 O=C1COC(=O)C1Br Amb17594578 [0,2,0,0,0,0|0,1,1]=4 5451 B8R1.50 O=C1COC(=O)C1Cl Amb534802 [0,2,0,0,0,0|0,1,1]=4 5452 B8R1.50 O=C1NCC(O)C1O Amb27813982 [0,2,0,0,0,0|2,0,0]=4 5453 B8R1.50 O=C1OCC(O)C1O Amb22730078 [0,2,0,0,0,0|2,0,0]=4 5454 B8R1.50 O=C1OC[C@@H](O)[C@@H]1O Amb24609731 [0,2,0,0,0,0|2,0,0]=4 5455 B8R1.50 O=C1OC[C@@H](O)[C@H]1Br Amb32414616 [0,2,0,0,0,0|2,0,0]=4 5456 B8R1.50 O=C1OC[C@@H](O)[C@H]1O Amb8515014 [0,2,0,0,0,0|2,0,0]=4 5457 B8R1.50 O=C1OC[C@H](O)[C@@H]1Br Amb10067848 [0,2,0,0,0,0|2,0,0]=4 5458 B8R1.50 O=C1OC[C@H](O)[C@@H]1O Amb27440225 [0,2,0,0,0,0|2,0,0]=4 5459 B8R1.50 O=C1OC[C@H](O)[C@H]1Br Amb27634828 [0,2,0,0,0,0|2,0,0]=4 5460 B8R1.50 O=C1OC[C@H](O)[C@H]1F Amb27775907 [0,2,0,0,0,0|2,0,0]=4 5461 B8R1.50 O=C1OC[C@H](O)[C@H]1O Amb15692412 [0,2,0,0,0,0|2,0,0]=4 5462 B8R1.50 O=C1[C@@H](Cl)CC[C@H]1Cl Amb27858710 [0,2,0,0,0,0|1,0,0]=3 5463 B8R1.50 O=C1[C@H](Cl)CC[C@H]1Cl Amb28195652 [0,2,0,0,0,0|1,0,0]=3 5464 B8R1.51 C=C1CCC(C)(C)C1 Amb27471090 [0,2,0,0,0,0|2,0,0]=4 5465 B8R1.51 C=C1CCS(=O)(=O)C1 Amb27483117 [0,2,0,0,0,0|1,0,1]=4 5466 B8R1.51 C=C1COC(C)(C)C1 Amb27216431 [0,2,0,0,0,0|1,1,0]=4 5467 B8R1.51 CC1(C)C=CC(=O)C1 Amb15693471 [0,2,0,0,0,0|1,0,1]=4 5468 B8R1.51 CC1(C)CC(=O)CN1 Amb24460323 [0,2,0,0,0,0|1,0,0]=3 5469 B8R1.51 CC1(C)CC(=O)CN1 Amb32693438 [0,2,0,0,0,0|1,0,0]=3 5470 B8R1.51 CC1(C)CC(=O)CO1 Amb24083194 [0,2,0,0,0,0|0,1,0]=3 5471 B8R1.51 CC1(C)CC(=O)NN1 Amb22289371 [0,2,0,0,0,0|2,0,0]=4 5472 B8R1.51 CC1(C)CC(=O)NO1 Amb26895186 [0,2,0,0,0,0|1,1,0]=4 5473 B8R1.51 CC1(C)CCC(=O)C1 Amb19516867 [0,2,0,0,0,0|1,0,0]=3 5474 B8R1.51 CC1(C)CCC(=O)N1 Amb9173662 [0,2,0,0,0,0|2,0,0]=4 5475 B8R1.51 CC1(C)CCC(=O)O1 Amb8631207 [0,2,0,0,0,0|2,0,0]=4 5476 B8R1.51 CC1(C)CNC(=O)C1 Amb6752004 [0,2,0,0,0,0|2,0,0]=4 5477 B8R1.51 CC1(C)COC(=O)C1 Amb22284870 [0,2,0,0,0,0|2,0,0]=4 5478 B8R1.51 CC1(C)NCC(=O)N1 Amb27770341 [0,2,0,0,0,0|2,0,0]=4 5479 B8R1.51 CC1(C)NCC(=O)O1 Amb27969182 [0,2,0,0,0,0|2,0,0]=4 5480 B8R1.51 CC1(C)OCC(=O)O1 Amb10601611 [0,2,0,0,0,0|1,1,0]=4 5481 B8R1.51 CC1(F)CCC(=O)O1 Amb27597762 [0,2,0,0,0,0|2,0,0]=4 5482 B8R1.51 CC1(O)C=CC(=O)C1 Amb28316243 [0,2,0,0,0,0|1,0,1]=4 5483 B8R1.51 CC1(O)CNC(=O)C1 Amb2722777 [0,2,0,0,0,0|2,0,0]=4 5484 B8R1.51 CC1=NC(C)(C)SC1 Amb24733807 [0,2,0,0,0,0|2,0,0]=4 5485 B8R1.51 CC1CCS(=O)(=O)C1 Amb2548451 [0,2,0,0,0,0|2,0,0]=4 5486 B8R1.51 CS1(=O)=NC(=O)CC1 Amb33483218 [0,2,0,0,0,0|1,0,1]=4 5487 B8R1.51 C[C@]1(O)CNC(=O)C1 Amb28253160 [0,2,0,0,0,0|2,0,0]=4 5488 B8R1.51 C[Si]1(C)CCC(=O)C1 Amb29837969 [0,2,0,0,0,0|1,0,0]=3 5489 B8R1.51 NC1CCS(=O)(=O)C1 Amb1080886 [0,2,0,0,0,0|2,0,0]=4 5490 B8R1.51 NC1CCS(=O)(=O)C1 Amb1152771 [0,2,0,0,0,0|2,0,0]=4 5491 B8R1.51 NC1CCS(=O)(=O)C1 Amb8508170 [0,2,0,0,0,0|2,0,0]=4 5492 B8R1.51 NC1CC[S+](=O)([O-])C1 Amb17726901 [0,2,0,0,0,0|2,0,0]=4 5493 B8R1.51 N[C@@H]1CCS(=O)(=O)C1 Amb33872364 [0,2,0,0,0,0|2,0,0]=4 5494 B8R1.51 N[C@H]1CCS(=O)(=O)C1 Amb30634357 [0,2,0,0,0,0|2,0,0]=4 5495 B8R1.51 O=C1CC(F)(F)CN1 Amb26403154 [0,2,0,0,0,0|2,0,0]=4 5496 B8R1.51 O=C1CCC(Cl)(Cl)C1 Amb28141254 [0,2,0,0,0,0|1,0,0]=3 5497 B8R1.51 O=C1CCC(F)(F)C1 Amb21963547 [0,2,0,0,0,0|1,0,0]=3 5498 B8R1.51 O=C1CCS(=O)(=O)C1 Amb2373731 [0,2,0,0,0,0|0,0,1]=3 5499 B8R1.51 O=C1CCS(=O)(=O)N1 Amb25763419 [0,2,0,0,0,0|1,0,1]=4 5500 B8R1.51 O=C1CCS(=O)(=O)O1 Amb17399828 [0,2,0,0,0,0|1,0,1]=4 5501 B8R1.51 O=S1(=O)CCC(Br)C1 Amb2813269 [0,2,0,0,0,0|2,0,0]=4 5502 B8R1.51 O=S1(=O)CCC(Cl)C1 Amb2598932 [0,2,0,0,0,0|2,0,0]=4 5503 B8R1.51 O=S1(=O)CCC(I)C1 Amb19517046 [0,2,0,0,0,0|2,0,0]=4 5504 B8R1.51 O=S1(=O)CCC(O)C1 Amb5716885 [0,2,0,0,0,0|2,0,0]=4 5505 B8R1.51 O=S1(=O)CCC(S)C1 Amb2796511 [0,2,0,0,0,0|2,0,0]=4 5506 B8R1.51 O=S1(=O)CCC([S-])C1 Amb18526895 [0,2,0,0,0,0|2,0,0]=4 5507 B8R1.51 O=S1(=O)CC[C@@H](O)C1 Amb27981301 [0,2,0,0,0,0|2,0,0]=4 5508 B8R1.51 [NH3+]C1CCS(=O)(=O)C1 Amb2793187 [0,2,0,0,0,0|2,0,0]=4 5509 B8R1.51 [NH3+]C1CCS(=O)(=O)C1 Amb3911968 [0,2,0,0,0,0|2,0,0]=4 5510 B8R1.19 C=C1CCCC1(C)C Amb27861829 [0,2,0,0,0,0|2,0,0]=4 5511 B8R1.19 CC1(Br)CCCC1=O Amb28316126 [0,2,0,0,0,0|1,0,0]=3 5512 B8R1.19 CC1(Br)CCOC1=O Amb3940887 [0,2,0,0,0,0|2,0,0]=4 5513 B8R1.19 CC1(C)CCCC1=O Amb4605933 [0,2,0,0,0,0|1,0,0]=3 5514 B8R1.19 CC1(C)CCNC1=O Amb13882829 [0,2,0,0,0,0|2,0,0]=4 5515 B8R1.19 CC1(C)CCNC1=O Amb22757339 [0,2,0,0,0,0|2,0,0]=4 5516 B8R1.19 CC1(C)CCOC1=O Amb10603955 [0,2,0,0,0,0|2,0,0]=4 5517 B8R1.19 CC1(C)CNCC1=O Amb28398062 [0,2,0,0,0,0|1,0,0]=3 5518 B8R1.19 CC1(C)COCC1=O Amb26970932 [0,2,0,0,0,0|0,1,0]=3 5519 B8R1.19 CC1(C)CONC1=O Amb21927202 [0,2,0,0,0,0|1,1,0]=4 5520 B8R1.19 CC1(C)NCCC1=O Amb18833065 [0,2,0,0,0,0|1,0,0]=3 5521 B8R1.19 CC1(C)NCCC1=O Amb22264757 [0,2,0,0,0,0|1,0,0]=3 5522 B8R1.19 CC1(C)OCCC1=O Amb28316242 [0,2,0,0,0,0|0,1,0]=3 5523 B8R1.19 CC1(C)SCCC1Br Amb33434927 [0,2,0,0,0,0|1,0,1]=4 5524 B8R1.19 CC1(C)SCCC1N Amb32732506 [0,2,0,0,0,0|1,0,1]=4 5525 B8R1.19 CC1(C)SCCC1O Amb24420713 [0,2,0,0,0,0|0,0,2]=4 5526 B8R1.19 CC1(C)SCCC1S Amb32725045 [0,2,0,0,0,0|0,1,1]=4 5527 B8R1.19 CC1(C)SSCC1=O Amb28455312 [0,2,0,0,0,0|1,0,0]=3 5528 B8R1.19 CC1(Cl)CCCC1=O Amb28315776 [0,2,0,0,0,0|1,0,0]=3 5529 B8R1.19 CC1(N)CCNC1=O Amb18124254 [0,2,0,0,0,0|2,0,0]=4 5530 B8R1.19 CC1(N)CCOC1=O Amb28934923 [0,2,0,0,0,0|2,0,0]=4 5531 B8R1.19 CC1(N)CCSC1=O Amb27838410 [0,2,0,0,0,0|2,0,0]=4 5532 B8R1.19 CC1(O)CCCC1=O Amb27749790 [0,2,0,0,0,0|1,0,0]=3 5533 B8R1.19 CC1CCCS1(=O)=O Amb2797231 [0,2,0,0,0,0|2,0,0]=4 5534 B8R1.19 C[C@@]1(Cl)CC=CC1=O Amb28049021 [0,2,0,0,0,0|1,0,1]=4 5535 B8R1.19 C[C@@]1(N)CONC1=O Amb25929798 [0,2,0,0,0,0|1,1,0]=4 5536 B8R1.19 C[C@]1(N)CCOC1=O Amb27629673 [0,2,0,0,0,0|2,0,0]=4 5537 B8R1.19 C[C@]1(N)CCSC1=O Amb27431520 [0,2,0,0,0,0|2,0,0]=4 5538 B8R1.19 C[C@]1(N)CONC1=O Amb25947476 [0,2,0,0,0,0|1,1,0]=4 5539 B8R1.19 NC1CCCS1(=O)=O Amb27421871 [0,2,0,0,0,0|2,0,0]=4 5540 B8R1.19 O=C1CCCC1(F)F Amb32795002 [0,2,0,0,0,0|1,0,0]=3 5541 B8R1.19 O=C1CNCC1(F)F Amb32412689 [0,2,0,0,0,0|1,0,0]=3 5542 B8R1.19 O=C1NCCC1(F)F Amb25063682 [0,2,0,0,0,0|2,0,0]=4 5543 B8R1.19 O=C1OCCC1(Br)Br Amb25227692 [0,2,0,0,0,0|2,0,0]=4 5544 B6R1.3 CSCC1CO1 Amb22001026 [0,0,1,1,0,0|0,0,2]=4 5545 B6R1.3 CSC[C@@H]1CO1 Amb24361865 [0,0,1,1,0,0|0,0,2]=4 5546 B6R1.3 CSC[C@H]1CO1 Amb24748500 [0,0,1,1,0,0|0,0,2]=4 5547 B6R1.3 SCCC1CC1 Amb24642475 [0,0,1,1,0,0|1,0,1]=4 5548 B6R1.8 C=C1CC1CBr Amb28396549 [0,0,1,1,0,0|2,0,0]=4 5549 B6R1.8 C=C1CC1CCl Amb27949911 [0,0,1,1,0,0|2,0,0]=4 5550 B6R1.8 C=C1CC1CN Amb27837703 [0,0,1,1,0,0|2,0,0]=4 5551 B6R1.8 C=C1CC1CN Amb33734441 [0,0,1,1,0,0|2,0,0]=4 5552 B6R1.8 C=C1CC1CO Amb22224918 [0,0,1,1,0,0|1,1,0]=4 5553 B6R1.8 C=C1C[C@@H]1CO Amb25359146 [0,0,1,1,0,0|1,1,0]=4 5554 B6R1.8 CC1=CC1CO Amb25106800 [0,0,1,1,0,0|1,1,0]=4 5555 B6R1.8 CC1CC1CS Amb32788306 [0,0,1,1,0,0|1,0,1]=4 5556 B6R1.11 C=C(C)C1CC1 Amb33542793 [0,0,1,1,0,0|2,0,0]=4 5557 B6R1.11 C=C(C)C1CO1 Amb19516025 [0,0,1,1,0,0|1,1,0]=4 5558 B6R1.11 C=C(C)[C@@H]1CO1 Amb33199037 [0,0,1,1,0,0|1,1,0]=4 5559 B6R1.11 C=C(C)[C@H]1CO1 Amb33199151 [0,0,1,1,0,0|1,1,0]=4 5560 B6R1.11 CC(=O)C1CC1 Amb2686663 [0,0,1,1,0,0|1,0,0]=3 5561 B6R1.11 CC(=O)C1CO1 Amb4477044 [0,0,1,1,0,0|0,1,0]=3 5562 B6R1.11 CC(=S)C1CC1 Amb27424574 [0,0,1,1,0,0|1,1,0]=4 5563 B6R1.11 NC(=O)C1CC1 Amb33546284 [0,0,1,1,0,0|2,0,0]=4 5564 B6R1.11 NC(=O)C1CO1 Amb6261241 [0,0,1,1,0,0|1,1,0]=4 5565 B6R1.11 NC(=O)C1CS1 Amb27217272 [0,0,1,1,0,0|1,0,0]=3 5566 B6R1.11 O=C(Br)C1CC1 Amb27457101 [0,0,1,1,0,0|2,0,0]=4 5567 B6R1.11 O=C(Cl)C1CC1 Amb3939317 [0,0,1,1,0,0|2,0,0]=4 5568 B6R1.11 O=C(I)C1CC1 Amb28315968 [0,0,1,1,0,0|2,0,0]=4 5569 B6R1.11 O=C(O)C1CC1 Amb2686655 [0,0,1,1,0,0|2,0,0]=4 5570 B6R1.11 O=C(O)C1CN1 Amb21864773 [0,0,1,1,0,0|2,0,0]=4 5571 B6R1.11 O=C(O)C1CO1 Amb8395277 [0,0,1,1,0,0|1,1,0]=4 5572 B6R1.11 O=C(O)[C@@H]1CN1 Amb22745452 [0,0,1,1,0,0|2,0,0]=4 5573 B6R1.11 O=C(O)[C@@H]1CO1 Amb26994292 [0,0,1,1,0,0|1,1,0]=4 5574 B6R1.11 O=C(O)[C@@H]1CS1 Amb28396934 [0,0,1,1,0,0|1,0,0]=3 5575 B6R1.11 O=C(O)[C@H]1CS1 Amb27845518 [0,0,1,1,0,0|1,0,0]=3 5576 B6R1.11 O=C([O-])C1CO1 Amb22492453 [0,0,1,1,0,0|1,1,0]=4 5577 B6R1.1 C1=CCCCC1 Amb6608805 [0,0,1,1,0,0|2,0,0]=4 5578 B6R1.1 C1=CCNCC1 Amb2720330 [0,0,1,1,0,0|2,0,0]=4 5579 B6R1.1 C1=CCNCC1 Amb3941710 [0,0,1,1,0,0|2,0,0]=4 5580 B6R1.1 C1=CCOCC1 Amb16234261 [0,0,1,1,0,0|1,1,0]=4 5581 B6R1.1 C1=CCSCC1 Amb29848083 [0,0,1,1,0,0|1,0,0]=3 5582 B6R1.1 C1=NCCCC1 Amb27752613 [0,0,1,1,0,0|2,0,0]=4 5583 B6R1.1 C1=NCNCC1 Amb27175339 [0,0,1,1,0,0|2,0,0]=4 5584 B6R1.1 C1=NSCCC1 Amb27266087 [0,0,1,1,0,0|2,0,0]=4 5585 B6R1.1 C1CCSCC1 Amb17666898 [0,0,1,1,0,0|1,0,1]=4 5586 B6R1.1 C1CNCSC1 Amb20622778 [0,0,1,1,0,0|1,0,1]=4 5587 B6R1.1 C1CNCSC1 Amb22356248 [0,0,1,1,0,0|1,0,1]=4 5588 B6R1.1 C1CSCCN1 Amb2720305 [0,0,1,1,0,0|1,0,1]=4 5589 B6R1.1 C1CSCCN1 Amb932817 [0,0,1,1,0,0|1,0,1]=4 5590 B6R1.1 C1CSCCO1 Amb2690613 [0,0,1,1,0,0|0,0,2]=4 5591 B6R1.1 C1CSCSC1 Amb8393152 [0,0,1,1,0,0|0,1,1]=4 5592 B6R1.1 C1CSOCS1 Amb28315787 [0,0,1,1,0,0|1,0,1]=4 5593 B6R1.7 CC1(CS)CC1 Amb32788218 [0,0,1,1,0,0|1,0,1]=4 5594 B6R1.12 O=C1C(F)C1F Amb27226966 [0,0,1,1,0,0|2,0,0]=4 5595 B6R2.4 C1CC2OC12 Amb19148609 [1,0,0,1,0,0|0,1,1]=4 5596 B6R2.4 C1NC2CC12 Amb7808792 [1,0,0,1,0,0|1,0,1]=4 5597 B6R2.2 C1C2CC1N2 Amb26915551 [0,0,0,1,1,0|1,0,1]=4 5598 B8R2.5 O=C1NC2N=CC12 Amb28132681 [0,0,0,1,0,1|1,0,1]=4 5599 B8R2.5 O=C1N[C@@H]2C=C[C@H]12 Amb25174979 [0,0,0,1,0,1|1,0,1]=4 5600 B8R2.11 NC1[C@H]2CCS[C@@H]12 Amb27192641 [0,0,0,1,0,1|1,0,1]=4 5601 B8R2.11 O=C1C2CCCC12 Amb27838225 [0,0,0,1,0,1|1,0,0]=3 5602 B8R2.18 O=C1CC2CC2C1 Amb25750119 [0,0,0,1,0,1|1,0,0]=3 5603 B8R2.18 O=C1CC2OC2C1 Amb25050255 [0,0,0,1,0,1|0,1,0]=3 5604 B8R2.18 O=C1C[C@@H]2C[C@@H]2C1 Amb28350467 [0,0,0,1,0,1|1,0,0]=3 5605 B8R2.18 O=[Si]1CC2OC2C1 Amb25755778 [0,0,0,1,0,1|0,2,0]=4 5606 B8R2.23 C1SCC2CC1N2 Amb25169421 [0,0,0,1,0,1|1,0,1]=4 5607 B8R2.34 C1=C2CCC(C1)C2 Amb28196687 [0,0,0,1,0,1|2,0,0]=4 5608 B8R2.34 C1N[C@H]2CS[C@H]1C2 Amb27473555 [0,0,0,1,0,1|1,0,1]=4 5609 B8R2.34 C1N[C@H]2CS[C@H]1C2 Amb34916225 [0,0,0,1,0,1|1,0,1]=4 5610 B8R2.34 C1SC2CNC1C2 Amb5718777 [0,0,0,1,0,1|1,0,1]=4 5611 B8R2.34 C1SC2CNC1C2 Amb6754076 [0,0,0,1,0,1|1,0,1]=4 5612 B8R2.34 C1S[C@@H]2CN[C@H]1C2 Amb25965001 [0,0,0,1,0,1|1,0,1]=4 5613 B8R2.34 C1S[C@@H]2CN[C@H]1C2 Amb32663363 [0,0,0,1,0,1|1,0,1]=4 5614 B8R2.34 C1S[C@H]2CN[C@@H]1C2 Amb25745214 [0,0,0,1,0,1|1,0,1]=4 5615 B8R2.38 C=C1CCC2CC12 Amb27836170 [0,0,0,1,0,1|2,0,0]=4 5616 B8R2.38 O=C1C=CC2OC12 Amb27775734 [0,0,0,1,0,1|0,1,1]=4 5617 B8R2.38 O=C1C=C[C@@H]2C[C@H]12 Amb28052364 [0,0,0,1,0,1|1,0,1]=4 5618 B8R2.38 O=C1CCC2CC12 Amb22736104 [0,0,0,1,0,1|1,0,0]=3 5619 B8R2.38 O=C1CCC2OC12 Amb28141441 [0,0,0,1,0,1|0,1,0]=3 5620 B8R2.38 O=C1CC[C@@H]2C[C@H]12 Amb24623125 [0,0,0,1,0,1|1,0,0]=3 5621 B8R2.38 O=C1CC[C@H]2C[C@@H]12 Amb27845572 [0,0,0,1,0,1|1,0,0]=3 5622 B8R2.38 O=C1CNC2CC12 Amb34142462 [0,0,0,1,0,1|1,0,0]=3 5623 B8R2.38 O=C1CN[C@@H]2C[C@H]12 Amb27630008 [0,0,0,1,0,1|1,0,0]=3 5624 B8R2.38 O=C1NCC2CC12 Amb22546330 [0,0,0,1,0,1|1,0,0]=3 5625 B8R2.38 O=C1NCC2OC12 Amb28143671 [0,0,0,1,0,1|0,1,0]=3 5626 B8R2.38 O=C1NC[C@@H]2C[C@H]12 Amb27961231 [0,0,0,1,0,1|1,0,0]=3 5627 B8R2.38 O=C1OCC2CC12 Amb24113373 [0,0,0,1,0,1|1,0,0]=3 5628 B8R2.38 O=C1OC[C@H]2C[C@@H]12 Amb27421949 [0,0,0,1,0,1|1,0,0]=3 5629 B8R2.27 O=C1C2CCC1C2 Amb27794426 [0,1,0,1,0,0|1,0,0]=3 5630 B8R2.30 O=CC12CCC1C2 Amb32676112 [0,1,0,1,0,0|1,0,1]=4 5631 B8R2.33 O=C[C@H]1[C@H]2CC[C@@H]12 Amb27256481 [0,1,0,1,0,0|1,0,1]=4 5632 B8R2.55 C1CC2(CO2)CS1 Amb33728357 [0,1,0,1,0,0|0,0,2]=4 5633 B8R2.4 O=C1CC2CC1C2 Amb24426322 [0,1,0,1,0,0|1,0,0]=3 5634 B8R2.4 O=C1NC2CC1C2 Amb27848619 [0,1,0,1,0,0|2,0,0]=4 5635 B4R1.1 C1=CCC1 Amb25870354 [1,0,0,0,1,0|0,0,1]=3 5636 B4R1.1 C1=CNC1 Amb25339223 [1,0,0,0,1,0|1,0,1]=4 5637 B4R1.1 C1CCC1 Amb17689121 [1,0,0,0,1,0|0,0,1]=3 5638 B4R1.1 C1CNC1 Amb3938974 [1,0,0,0,1,0|1,0,0]=3 5639 B4R1.1 C1CNC1 Amb8628117 [1,0,0,0,1,0|1,0,0]=3 5640 B4R1.1 C1CSC1 Amb22232204 [1,0,0,0,1,0|0,0,0]=2 5641 B4R1.2 BrC1CC1 Amb2686660 [0,0,0,0,2,0|1,0,1]=4 5642 B4R1.2 C=C1CC1 Amb22347889 [0,0,0,0,2,0|1,0,0]=3 5643 B4R1.2 CC1=CC1 Amb20240828 [0,0,0,0,2,0|1,0,1]=4 5644 B4R1.2 CC1CC1 Amb24425057 [0,0,0,0,2,0|1,0,1]=4 5645 B4R1.2 CC1CS1 Amb8516047 [0,0,0,0,2,0|1,0,1]=4 5646 B4R1.2 FC1CC1 Amb25145254 [0,0,0,0,2,0|1,0,1]=4 5647 B4R1.2 IC1CC1 Amb22756596 [0,0,0,0,2,0|1,0,1]=4 5648 B4R1.2 ICl1CC1 Amb22411640 [0,0,0,0,2,0|2,0,0]=4 5649 B4R1.2 NC1CC1 Amb932818 [0,0,0,0,2,0|1,0,1]=4 5650 B4R1.2 O=C1C=C1 Amb22733856 [0,0,0,0,2,0|0,0,2]=4 5651 B4R1.2 OC1CC1 Amb33550020 [0,0,0,0,2,0|0,0,2]=4 5652 B4R1.2 SC1CC1 Amb19893337 [0,0,0,0,2,0|0,1,1]=4 5653 B8R1.22 BrC1=CCCCCC1 Amb10071167 [0,0,0,0,0,2|2,0,0]=4 5654 B8R1.22 BrC1=CCOCOC1 Amb24087656 [0,0,0,0,0,2|1,1,0]=4 5655 B8R1.22 BrC1CCCSCC1 Amb35627432 [0,0,0,0,0,2|1,0,1]=4 5656 B8R1.22 C=C1CCCNCC1 Amb30982578 [0,0,0,0,0,2|2,0,0]=4 5657 B8R1.22 C=C1CCCSCC1 Amb35674113 [0,0,0,0,0,2|1,0,0]=3 5658 B8R1.22 C=C1OCCCCO1 Amb22228877 [0,0,0,0,0,2|2,0,0]=4 5659 B8R1.22 CC1=CCCCCC1 Amb22227978 [0,0,0,0,0,2|2,0,0]=4 5660 B8R1.22 CC1CCSCCN1 Amb28934844 [0,0,0,0,0,2|1,0,1]=4 5661 B8R1.22 CC1CCSCCN1 Amb33540166 [0,0,0,0,0,2|1,0,1]=4 5662 B8R1.22 CC1CNCCSC1 Amb22642304 [0,0,0,0,0,2|1,0,1]=4 5663 B8R1.22 CC1CSCCCN1 Amb25870575 [0,0,0,0,0,2|1,0,1]=4 5664 B8R1.22 CC1CSCCCN1 Amb30585125 [0,0,0,0,0,2|1,0,1]=4 5665 B8R1.22 ClC1CCCSCC1 Amb35650778 [0,0,0,0,0,2|1,0,1]=4 5666 B8R1.22 NC1=NCCCCC1 Amb19514661 [0,0,0,0,0,2|2,0,0]=4 5667 B8R1.22 NC1=NCCCCC1 Amb4451463 [0,0,0,0,0,2|2,0,0]=4 5668 B8R1.22 NC1=NCCCCN1 Amb28119984 [0,0,0,0,0,2|2,0,0]=4 5669 B8R1.22 NC1=NCCCCS1 Amb27592425 [0,0,0,0,0,2|2,0,0]=4 5670 B8R1.22 NC1=NCCCSC1 Amb25688170 [0,0,0,0,0,2|1,0,0]=3 5671 B8R1.22 NC1CCCSCC1 Amb18199477 [0,0,0,0,0,2|1,0,1]=4 5672 B8R1.22 NC1CCCSCC1 Amb33328660 [0,0,0,0,0,2|1,0,1]=4 5673 B8R1.22 NC1CSCCSC1 Amb27252120 [0,0,0,0,0,2|1,0,1]=4 5674 B8R1.22 O=C1C=CC=CCC1 Amb17593120 [0,0,0,0,0,2|1,0,1]=4 5675 B8R1.22 O=C1C=CCC=CC1 Amb28316220 [0,0,0,0,0,2|1,0,1]=4 5676 B8R1.22 O=C1C=CCCC=C1 Amb22364722 [0,0,0,0,0,2|1,0,1]=4 5677 B8R1.22 O=C1C=CCCCC1 Amb10601704 [0,0,0,0,0,2|1,0,0]=3 5678 B8R1.22 O=C1C=CCCCN1 Amb22500450 [0,0,0,0,0,2|1,0,1]=4 5679 B8R1.22 O=C1C=CNCCS1 Amb27655609 [0,0,0,0,0,2|1,0,1]=4 5680 B8R1.22 O=C1C=CSCCN1 Amb27202061 [0,0,0,0,0,2|0,0,1]=3 5681 B8R1.22 O=C1CC=CCCC1 Amb24450177 [0,0,0,0,0,2|1,0,0]=3 5682 B8R1.22 O=C1CC=CCCN1 Amb27830230 [0,0,0,0,0,2|1,0,0]=3 5683 B8R1.22 O=C1CC=COCC1 Amb27835241 [0,0,0,0,0,2|0,1,0]=3 5684 B8R1.22 O=C1CCC=CCC1 Amb22230447 [0,0,0,0,0,2|1,0,0]=3 5685 B8R1.22 O=C1CCC=COC1 Amb27812549 [0,0,0,0,0,2|0,1,0]=3 5686 B8R1.22 O=C1CCCCCC1 Amb4135729 [0,0,0,0,0,2|1,0,0]=3 5687 B8R1.22 O=C1CCCCCN1 Amb6364991 [0,0,0,0,0,2|1,0,0]=3 5688 B8R1.22 O=C1CCCCCO1 Amb8513719 [0,0,0,0,0,2|1,0,0]=3 5689 B8R1.22 O=C1CCCCCS1 Amb25810807 [0,0,0,0,0,2|1,0,0]=3 5690 B8R1.22 O=C1CCCCC[N-]1 Amb24117486 [0,0,0,0,0,2|1,0,0]=3 5691 B8R1.22 O=C1CCCCNC1 Amb22000936 [0,0,0,0,0,2|1,0,0]=3 5692 B8R1.22 O=C1CCCCNC1 Amb25922210 [0,0,0,0,0,2|1,0,0]=3 5693 B8R1.22 O=C1CCCNCC1 Amb8393630 [0,0,0,0,0,2|1,0,0]=3 5694 B8R1.22 O=C1CCCNCC1 Amb9174228 [0,0,0,0,0,2|1,0,0]=3 5695 B8R1.22 O=C1CCCOCC1 Amb25873789 [0,0,0,0,0,2|0,1,0]=3 5696 B8R1.22 O=C1CCCSCC1 Amb25318842 [0,0,0,0,0,2|0,0,0]=2 5697 B8R1.22 O=C1CCCSCN1 Amb27879423 [0,0,0,0,0,2|0,0,0]=2 5698 B8R1.22 O=C1CCNCCN1 Amb10069937 [0,0,0,0,0,2|1,0,0]=3 5699 B8R1.22 O=C1CCNCCN1 Amb1107713 [0,0,0,0,0,2|1,0,0]=3 5700 B8R1.22 O=C1CCNCCN1 Amb483265 [0,0,0,0,0,2|1,0,0]=3 5701 B8R1.22 O=C1CCNCCO1 Amb27760600 [0,0,0,0,0,2|1,0,0]=3 5702 B8R1.22 O=C1CCNNCC1 Amb28421828 [0,0,0,0,0,2|1,0,0]=3 5703 B8R1.22 O=C1CCOCCN1 Amb13951193 [0,0,0,0,0,2|0,1,0]=3 5704 B8R1.22 O=C1CCOCOC1 Amb27434094 [0,0,0,0,0,2|0,1,0]=3 5705 B8R1.22 O=C1CCSCCN1 Amb21912439 [0,0,0,0,0,2|0,0,0]=2 5706 B8R1.22 O=C1CNCCCN1 Amb22754482 [0,0,0,0,0,2|1,0,0]=3 5707 B8R1.22 O=C1CNCCCN1 Amb6739889 [0,0,0,0,0,2|1,0,0]=3 5708 B8R1.22 O=C1CNCCNC1 Amb30867934 [0,0,0,0,0,2|1,0,0]=3 5709 B8R1.22 O=C1COCCCN1 Amb22371065 [0,0,0,0,0,2|0,1,0]=3 5710 B8R1.22 O=C1COCCOC1 Amb22284314 [0,0,0,0,0,2|0,1,0]=3 5711 B8R1.22 O=C1CSCCSC1 Amb8503291 [0,0,0,0,0,2|0,0,0]=2 5712 B8R1.22 O=C1NCCCCN1 Amb25960043 [0,0,0,0,0,2|1,0,0]=3 5713 B8R1.22 O=C1NCCCCO1 Amb27405440 [0,0,0,0,0,2|1,0,0]=3 5714 B8R1.22 O=C1OCCCCO1 Amb25350626 [0,0,0,0,0,2|1,0,0]=3 5715 B8R1.22 O=S1CCCNCC1 Amb21856414 [0,0,0,0,0,2|2,0,0]=4 5716 B8R1.22 O=S1OCCCCO1 Amb9787325 [0,0,0,0,0,2|2,0,0]=4 5717 B8R1.22 OC1CCCSCC1 Amb18202861 [0,0,0,0,0,2|0,0,2]=4 5718 B8R1.22 S=C1C=CSCCN1 Amb27398650 [0,0,0,0,0,2|0,1,1]=4 5719 B8R1.22 S=C1CCCCCN1 Amb1935077 [0,0,0,0,0,2|1,1,0]=4 5720 B8R1.22 S=C1NCCCCN1 Amb2724259 [0,0,0,0,0,2|1,1,0]=4 5721 B8R1.22 SC1CCCSCC1 Amb32788173 [0,0,0,0,0,2|0,1,1]=4