0 B10R1.66 C=C(C)C#Cc1cccs1 Amb27423871 [0,0,0,0,0,0|1,1,2]=4 1 B10R1.66 C=C(C)CSc1ncco1 Amb27867926 [0,0,0,0,0,0|3,0,1]=4 2 B10R1.66 C=C(O)OCc1ccco1 Amb27861064 [0,0,0,0,0,0|1,0,3]=4 3 B10R1.66 CC(=N)NCc1ccco1 Amb27412338 [0,0,0,0,0,0|2,0,1]=3 4 B10R1.66 CC(=N)NCc1cccs1 Amb27260850 [0,0,0,0,0,0|2,1,1]=4 5 B10R1.66 CC(=O)CCC1=CCCO1 Amb27424851 [0,0,0,0,0,0|0,0,4]=4 6 B10R1.66 CC(=O)CCc1ccco1 Amb1107538 [0,0,0,0,0,0|0,0,2]=2 7 B10R1.66 CC(=O)CCc1cccs1 Amb5740049 [0,0,0,0,0,0|0,1,2]=3 8 B10R1.66 CC(=O)CCc1ccoc1 Amb27425020 [0,0,0,0,0,0|2,0,2]=4 9 B10R1.66 CC(=O)CCc1ccon1 Amb18832105 [0,0,0,0,0,0|2,0,2]=4 10 B10R1.66 CC(=O)CCc1ccsc1 Amb33532312 [0,0,0,0,0,0|2,0,2]=4 11 B10R1.66 CC(=O)CCc1ccsn1 Amb27190352 [0,0,0,0,0,0|2,0,2]=4 12 B10R1.66 CC(=O)CCc1cnco1 Amb18832107 [0,0,0,0,0,0|1,0,2]=3 13 B10R1.66 CC(=O)CCc1cncs1 Amb27469825 [0,0,0,0,0,0|1,1,2]=4 14 B10R1.66 CC(=O)CCc1cscn1 Amb25133415 [0,0,0,0,0,0|2,0,2]=4 15 B10R1.66 CC(=O)CCc1ncco1 Amb18832106 [0,0,0,0,0,0|1,0,2]=3 16 B10R1.66 CC(=O)CCc1nccs1 Amb17334384 [0,0,0,0,0,0|1,1,2]=4 17 B10R1.66 CC(=O)CCc1nnco1 Amb27169119 [0,0,0,0,0,0|2,0,2]=4 18 B10R1.66 CC(=O)CCn1cccn1 Amb594009 [0,0,0,0,0,0|2,0,2]=4 19 B10R1.66 CC(=O)CSc1cccs1 Amb2724458 [0,0,0,0,0,0|1,1,1]=3 20 B10R1.66 CC(=O)CSc1ccsc1 Amb27164562 [0,0,0,0,0,0|3,0,1]=4 21 B10R1.66 CC(=O)NCc1ccco1 Amb1209246 [0,0,0,0,0,0|1,0,1]=2 22 B10R1.66 CC(=O)NCc1cccs1 Amb1218150 [0,0,0,0,0,0|1,1,1]=3 23 B10R1.66 CC(=O)NCc1ccno1 Amb27868350 [0,0,0,0,0,0|2,0,1]=3 24 B10R1.66 CC(=O)NCc1ccns1 Amb35720522 [0,0,0,0,0,0|2,1,1]=4 25 B10R1.66 CC(=O)NCc1ccoc1 Amb27785725 [0,0,0,0,0,0|3,0,1]=4 26 B10R1.66 CC(=O)NCc1ccon1 Amb28049485 [0,0,0,0,0,0|3,0,1]=4 27 B10R1.66 CC(=O)NCc1ccsc1 Amb10945323 [0,0,0,0,0,0|3,0,1]=4 28 B10R1.66 CC(=O)NCc1cncs1 Amb27955071 [0,0,0,0,0,0|2,1,1]=4 29 B10R1.66 CC(=O)OCc1ccco1 Amb4334378 [0,0,0,0,0,0|1,0,1]=2 30 B10R1.66 CC(=O)OCc1ccoc1 Amb6358129 [0,0,0,0,0,0|3,0,1]=4 31 B10R1.66 CC(=O)OCc1nccs1 Amb26079763 [0,0,0,0,0,0|2,1,1]=4 32 B10R1.66 CC(=O)\C=C/c1ccco1 Amb25066388 [0,0,0,0,0,0|0,0,0]=0 33 B10R1.66 CC(=O)\C=C\C1=CCCC1 Amb25209541 [0,0,0,0,0,0|1,0,2]=3 34 B10R1.66 CC(=O)\C=C\C1CCCO1 Amb25887982 [0,0,0,0,0,0|0,0,4]=4 35 B10R1.66 CC(=O)\C=C\c1ccco1 Amb6608963 [0,0,0,0,0,0|0,0,0]=0 36 B10R1.66 CC(=O)\C=C\c1cccs1 Amb33512960 [0,0,0,0,0,0|0,1,0]=1 37 B10R1.66 CC(=O)\C=C\c1ccns1 Amb35720406 [0,0,0,0,0,0|1,1,0]=2 38 B10R1.66 CC(=O)\C=C\c1ccoc1 Amb24479175 [0,0,0,0,0,0|2,0,0]=2 39 B10R1.66 CC(=O)\C=C\c1ccon1 Amb33199366 [0,0,0,0,0,0|2,0,0]=2 40 B10R1.66 CC(=O)\C=C\c1ccsc1 Amb22370887 [0,0,0,0,0,0|2,0,0]=2 41 B10R1.66 CC(=O)\C=C\c1cnco1 Amb33319933 [0,0,0,0,0,0|1,0,0]=1 42 B10R1.66 CC(=O)\C=C\c1cncs1 Amb33359799 [0,0,0,0,0,0|1,1,0]=2 43 B10R1.66 CC(=O)\C=C\c1cnsc1 Amb26986340 [0,0,0,0,0,0|3,0,0]=3 44 B10R1.66 CC(=O)\C=C\c1cscn1 Amb32954498 [0,0,0,0,0,0|2,0,0]=2 45 B10R1.66 CC(=O)\C=C\c1csnn1 Amb33474077 [0,0,0,0,0,0|3,0,0]=3 46 B10R1.66 CC(=O)\C=C\c1nccs1 Amb33449103 [0,0,0,0,0,0|1,1,0]=2 47 B10R1.66 CC(Br)\C=C\c1ccns1 Amb35731190 [0,0,0,0,0,0|2,1,1]=4 48 B10R1.66 CC(C)NCc1ccco1 Amb1112725 [0,0,0,0,0,0|2,0,2]=4 49 B10R1.66 CC(C)NCc1ccco1 Amb2118781 [0,0,0,0,0,0|2,0,2]=4 50 B10R1.66 CC(C)OCc1ccco1 Amb27256785 [0,0,0,0,0,0|2,0,2]=4 51 B10R1.66 CC(C)\N=C\c1ccco1 Amb26390881 [0,0,0,0,0,0|2,0,1]=3 52 B10R1.66 CC(Cl)\C=C\c1ccco1 Amb28068285 [0,0,0,0,0,0|1,0,1]=2 53 B10R1.66 CC(Cl)\C=C\c1cccs1 Amb27951483 [0,0,0,0,0,0|1,1,1]=3 54 B10R1.66 CC(Cl)\C=C\c1ccns1 Amb35731189 [0,0,0,0,0,0|2,1,1]=4 55 B10R1.66 CC(Cl)\C=C\c1cscn1 Amb27814775 [0,0,0,0,0,0|3,0,1]=4 56 B10R1.66 CC(Cl)\C=C\c1nccs1 Amb27593818 [0,0,0,0,0,0|2,1,1]=4 57 B10R1.66 CC(N)CCc1ccco1 Amb9703511 [0,0,0,0,0,0|1,0,3]=4 58 B10R1.66 CC(N)SCc1ccco1 Amb27201673 [0,0,0,0,0,0|2,0,2]=4 59 B10R1.66 CC(N)\C=C\c1ccco1 Amb33362421 [0,0,0,0,0,0|1,0,1]=2 60 B10R1.66 CC(N)\C=C\c1cccs1 Amb33359023 [0,0,0,0,0,0|1,1,1]=3 61 B10R1.66 CC(N)\C=C\c1ccns1 Amb30008558 [0,0,0,0,0,0|2,1,1]=4 62 B10R1.66 CC(N)\C=C\c1ccoc1 Amb33171960 [0,0,0,0,0,0|3,0,1]=4 63 B10R1.66 CC(N)\C=C\c1ccon1 Amb33199295 [0,0,0,0,0,0|3,0,1]=4 64 B10R1.66 CC(N)\C=C\c1ccsc1 Amb33429327 [0,0,0,0,0,0|3,0,1]=4 65 B10R1.66 CC(N)\C=C\c1cnco1 Amb33319912 [0,0,0,0,0,0|2,0,1]=3 66 B10R1.66 CC(N)\C=C\c1cncs1 Amb32953388 [0,0,0,0,0,0|2,1,1]=4 67 B10R1.66 CC(N)\C=C\c1cscn1 Amb33080268 [0,0,0,0,0,0|3,0,1]=4 68 B10R1.66 CC(N)\C=C\c1nccs1 Amb33358937 [0,0,0,0,0,0|2,1,1]=4 69 B10R1.66 CC(O)CC=C1C=CC=C1 Amb28197408 [0,0,0,0,0,0|1,0,3]=4 70 B10R1.66 CC(O)CCc1ccco1 Amb9358376 [0,0,0,0,0,0|0,0,4]=4 71 B10R1.66 CC(O)\C=C\c1ccco1 Amb24504965 [0,0,0,0,0,0|0,0,2]=2 72 B10R1.66 CC(O)\C=C\c1cccs1 Amb25097279 [0,0,0,0,0,0|0,1,2]=3 73 B10R1.66 CC(O)\C=C\c1ccns1 Amb30018291 [0,0,0,0,0,0|1,1,2]=4 74 B10R1.66 CC(O)\C=C\c1ccsc1 Amb28245048 [0,0,0,0,0,0|2,0,2]=4 75 B10R1.66 CC(O)\C=C\c1nccs1 Amb28126823 [0,0,0,0,0,0|1,1,2]=4 76 B10R1.66 CC(S)CCc1ccco1 Amb32788128 [0,0,0,0,0,0|0,1,3]=4 77 B10R1.66 CN(C)\C=C/c1ccns1 Amb28399390 [0,0,0,0,0,0|3,1,0]=4 78 B10R1.66 CN(C)\N=C\c1ccco1 Amb16192915 [0,0,0,0,0,0|3,0,0]=3 79 B10R1.66 CS(=O)\N=C\c1ccco1 Amb35681668 [0,0,0,0,0,0|2,0,0]=2 80 B10R1.66 CS(=O)\N=C\c1cccs1 Amb35681657 [0,0,0,0,0,0|2,1,0]=3 81 B10R1.66 CS(=O)\N=C\c1ccns1 Amb29865986 [0,0,0,0,0,0|3,1,0]=4 82 B10R1.66 CS(=O)\N=C\c1ccoc1 Amb35685200 [0,0,0,0,0,0|4,0,0]=4 83 B10R1.66 CS(=O)\N=C\c1ccsc1 Amb29858793 [0,0,0,0,0,0|4,0,0]=4 84 B10R1.66 CS(=O)\N=C\c1cncs1 Amb35692904 [0,0,0,0,0,0|3,1,0]=4 85 B10R1.66 CS(=O)\N=C\c1cscn1 Amb35692912 [0,0,0,0,0,0|4,0,0]=4 86 B10R1.66 CS(=O)\N=C\c1nccs1 Amb35692857 [0,0,0,0,0,0|3,1,0]=4 87 B10R1.66 C[C@@H](N)CCc1ccco1 Amb33360959 [0,0,0,0,0,0|1,0,3]=4 88 B10R1.66 C[C@@H](O)CCc1ccco1 Amb27763861 [0,0,0,0,0,0|0,0,4]=4 89 B10R1.66 C[C@@H](O)\C=C\c1cccs1 Amb28050630 [0,0,0,0,0,0|0,1,2]=3 90 B10R1.66 C[C@H](N)CCc1ccco1 Amb33360958 [0,0,0,0,0,0|1,0,3]=4 91 B10R1.66 C[C@H](O)CCc1ccco1 Amb28321432 [0,0,0,0,0,0|0,0,4]=4 92 B10R1.66 C[C@H](O)\C=C\c1cccs1 Amb28050629 [0,0,0,0,0,0|0,1,2]=3 93 B10R1.66 N=C(N)CCc1ccco1 Amb18063862 [0,0,0,0,0,0|2,0,2]=4 94 B10R1.66 N=C(N)NCc1ccco1 Amb1981457 [0,0,0,0,0,0|3,0,1]=4 95 B10R1.66 NC(=O)C#Cc1ccco1 Amb28340501 [0,0,0,0,0,0|1,0,2]=3 96 B10R1.66 NC(=O)C#Cc1cccs1 Amb26378787 [0,0,0,0,0,0|1,1,2]=4 97 B10R1.66 NC(=O)CSc1cccs1 Amb4330204 [0,0,0,0,0,0|2,1,1]=4 98 B10R1.66 NC(=O)NCc1ccco1 Amb1105644 [0,0,0,0,0,0|2,0,1]=3 99 B10R1.66 NC(=O)NCc1cccs1 Amb1106145 [0,0,0,0,0,0|2,1,1]=4 100 B10R1.66 NC(=O)OCc1ccco1 Amb28424169 [0,0,0,0,0,0|2,0,1]=3 101 B10R1.66 NC(=O)\C=C/c1ccoc1 Amb27493171 [0,0,0,0,0,0|3,0,0]=3 102 B10R1.66 NC(=O)\C=C\C1=CCCC1 Amb28315908 [0,0,0,0,0,0|2,0,2]=4 103 B10R1.66 NC(=O)\C=C\c1ccco1 Amb6387328 [0,0,0,0,0,0|1,0,0]=1 104 B10R1.66 NC(=O)\C=C\c1cccs1 Amb3429140 [0,0,0,0,0,0|1,1,0]=2 105 B10R1.66 NC(=O)\C=C\c1ccns1 Amb24558336 [0,0,0,0,0,0|2,1,0]=3 106 B10R1.66 NC(=O)\C=C\c1cscn1 Amb28370560 [0,0,0,0,0,0|3,0,0]=3 107 B10R1.66 NC(=S)NCc1ccco1 Amb1152245 [0,0,0,0,0,0|2,1,1]=4 108 B10R1.66 NC(=S)\C=C/c1ccco1 Amb18108368 [0,0,0,0,0,0|1,1,0]=2 109 B10R1.66 NC(=[NH2+])NCc1ccco1 Amb9799916 [0,0,0,0,0,0|3,0,1]=4 110 B10R1.66 O=C(Cl)CCc1cccs1 Amb23440823 [0,0,0,0,0,0|1,1,2]=4 111 B10R1.66 O=C(Cl)NCc1ccco1 Amb35636921 [0,0,0,0,0,0|2,0,1]=3 112 B10R1.66 O=C(Cl)NCc1cccs1 Amb30028127 [0,0,0,0,0,0|2,1,1]=4 113 B10R1.66 O=C(Cl)OCc1ccco1 Amb26542188 [0,0,0,0,0,0|2,0,1]=3 114 B10R1.66 O=C(Cl)OCc1cccs1 Amb28049418 [0,0,0,0,0,0|2,1,1]=4 115 B10R1.66 O=C(Cl)\C=C/c1ccco1 Amb26581586 [0,0,0,0,0,0|1,0,0]=1 116 B10R1.66 O=C(Cl)\C=C\c1ccco1 Amb16230244 [0,0,0,0,0,0|1,0,0]=1 117 B10R1.66 O=C(Cl)\C=C\c1cccs1 Amb7173093 [0,0,0,0,0,0|1,1,0]=2 118 B10R1.66 O=C(Cl)\C=C\c1ccsc1 Amb8385105 [0,0,0,0,0,0|3,0,0]=3 119 B10R1.66 O=C(O)C#Cc1ccco1 Amb20672984 [0,0,0,0,0,0|1,0,2]=3 120 B10R1.66 O=C(O)C#Cc1cccs1 Amb17138439 [0,0,0,0,0,0|1,1,2]=4 121 B10R1.66 O=C(O)C#Cc1cnco1 Amb33168946 [0,0,0,0,0,0|2,0,2]=4 122 B10R1.66 O=C(O)CCc1ccco1 Amb1153073 [0,0,0,0,0,0|1,0,2]=3 123 B10R1.66 O=C(O)CCc1cccs1 Amb1154297 [0,0,0,0,0,0|1,1,2]=4 124 B10R1.66 O=C(O)CCc1ccno1 Amb1092001 [0,0,0,0,0,0|2,0,2]=4 125 B10R1.66 O=C(O)CCc1cnco1 Amb22011672 [0,0,0,0,0,0|2,0,2]=4 126 B10R1.66 O=C(O)CCc1ncco1 Amb17399867 [0,0,0,0,0,0|2,0,2]=4 127 B10R1.66 O=C(O)CNc1ccco1 Amb27846560 [0,0,0,0,0,0|2,0,1]=3 128 B10R1.66 O=C(O)CNc1cccs1 Amb26516474 [0,0,0,0,0,0|2,1,1]=4 129 B10R1.66 O=C(O)COc1ccco1 Amb28050105 [0,0,0,0,0,0|2,0,1]=3 130 B10R1.66 O=C(O)COc1cccs1 Amb27233232 [0,0,0,0,0,0|2,1,1]=4 131 B10R1.66 O=C(O)COc1cnco1 Amb33319560 [0,0,0,0,0,0|3,0,1]=4 132 B10R1.66 O=C(O)CSc1ccco1 Amb27975289 [0,0,0,0,0,0|2,0,1]=3 133 B10R1.66 O=C(O)CSc1cccs1 Amb2796029 [0,0,0,0,0,0|2,1,1]=4 134 B10R1.66 O=C(O)\C=C/c1ccco1 Amb26458726 [0,0,0,0,0,0|1,0,0]=1 135 B10R1.66 O=C(O)\C=C/c1cccs1 Amb27658635 [0,0,0,0,0,0|1,1,0]=2 136 B10R1.66 O=C(O)\C=C/c1ccsc1 Amb10071559 [0,0,0,0,0,0|3,0,0]=3 137 B10R1.66 O=C(O)\C=C\C1=CCCC1 Amb18643237 [0,0,0,0,0,0|2,0,2]=4 138 B10R1.66 O=C(O)\C=C\c1ccco1 Amb6335256 [0,0,0,0,0,0|1,0,0]=1 139 B10R1.66 O=C(O)\C=C\c1cccs1 Amb24076486 [0,0,0,0,0,0|1,1,0]=2 140 B10R1.66 O=C(O)\C=C\c1cccs1 Amb33716246 [0,0,0,0,0,0|1,1,0]=2 141 B10R1.66 O=C(O)\C=C\c1ccno1 Amb27851739 [0,0,0,0,0,0|2,0,0]=2 142 B10R1.66 O=C(O)\C=C\c1ccns1 Amb27234709 [0,0,0,0,0,0|2,1,0]=3 143 B10R1.66 O=C(O)\C=C\c1ccoc1 Amb33946022 [0,0,0,0,0,0|3,0,0]=3 144 B10R1.66 O=C(O)\C=C\c1ccon1 Amb33198351 [0,0,0,0,0,0|3,0,0]=3 145 B10R1.66 O=C(O)\C=C\c1ccsc1 Amb1154295 [0,0,0,0,0,0|3,0,0]=3 146 B10R1.66 O=C(O)\C=C\c1ccsn1 Amb24624065 [0,0,0,0,0,0|3,0,0]=3 147 B10R1.66 O=C(O)\C=C\c1cnco1 Amb32954265 [0,0,0,0,0,0|2,0,0]=2 148 B10R1.66 O=C(O)\C=C\c1cncs1 Amb33473685 [0,0,0,0,0,0|2,1,0]=3 149 B10R1.66 O=C(O)\C=C\c1cnns1 Amb33470055 [0,0,0,0,0,0|3,1,0]=4 150 B10R1.66 O=C(O)\C=C\c1cnsc1 Amb28239806 [0,0,0,0,0,0|4,0,0]=4 151 B10R1.66 O=C(O)\C=C\c1cnsn1 Amb18644786 [0,0,0,0,0,0|4,0,0]=4 152 B10R1.66 O=C(O)\C=C\c1cocn1 Amb24638306 [0,0,0,0,0,0|3,0,0]=3 153 B10R1.66 O=C(O)\C=C\c1cscn1 Amb8836304 [0,0,0,0,0,0|3,0,0]=3 154 B10R1.66 O=C(O)\C=C\c1csnn1 Amb33079448 [0,0,0,0,0,0|4,0,0]=4 155 B10R1.66 O=C(O)\C=C\c1ncco1 Amb26921286 [0,0,0,0,0,0|2,0,0]=2 156 B10R1.66 O=C(O)\C=C\c1nccs1 Amb8836307 [0,0,0,0,0,0|2,1,0]=3 157 B10R1.66 O=C(O)\C=C\n1ccnc1 Amb26919413 [0,0,0,0,0,0|4,0,0]=4 158 B10R1.66 O=C([O-])CCc1cccs1 Amb33512993 [0,0,0,0,0,0|1,1,2]=4 159 B10R1.66 O=C([O-])\C=C\c1ccsc1 Amb33512980 [0,0,0,0,0,0|3,0,0]=3 160 B10R1.66 O=N(=O)CCc1ccco1 Amb5498739 [0,0,0,0,0,0|2,0,2]=4 161 B10R1.66 O=N(=O)\C=C\c1cccs1 Amb20621961 [0,0,0,0,0,0|2,1,0]=3 162 B10R1.66 O=[N+]([O-])CCc1ccco1 Amb534787 [0,0,0,0,0,0|2,0,2]=4 163 B10R1.66 O=[N+]([O-])\C=C/c1cccs1 Amb4015634 [0,0,0,0,0,0|2,1,0]=3 164 B10R1.66 O=[N+]([O-])\C=C\c1ccco1 Amb6316064 [0,0,0,0,0,0|2,0,0]=2 165 B10R1.66 O=[N+]([O-])\C=C\c1cccs1 Amb6739796 [0,0,0,0,0,0|2,1,0]=3 166 B10R1.66 O=[N+]([O-])\C=C\c1ccns1 Amb35731136 [0,0,0,0,0,0|3,1,0]=4 167 B10R1.66 O=[N+]([O-])\C=C\c1ccoc1 Amb22643231 [0,0,0,0,0,0|4,0,0]=4 168 B10R1.66 O=[N+]([O-])\C=C\c1ccon1 Amb33197554 [0,0,0,0,0,0|4,0,0]=4 169 B10R1.66 O=[N+]([O-])\C=C\c1ccsc1 Amb2764123 [0,0,0,0,0,0|4,0,0]=4 170 B10R1.66 O=[N+]([O-])\C=C\c1cnco1 Amb28135374 [0,0,0,0,0,0|3,0,0]=3 171 B10R1.66 O=[N+]([O-])\C=C\c1cncs1 Amb27944585 [0,0,0,0,0,0|3,1,0]=4 172 B10R1.66 O=[N+]([O-])\C=C\c1cscn1 Amb33172546 [0,0,0,0,0,0|4,0,0]=4 173 B10R1.66 O=[N+]([O-])\C=C\c1ncco1 Amb28135361 [0,0,0,0,0,0|3,0,0]=3 174 B10R1.66 O=[N+]([O-])\C=C\c1nccs1 Amb24106743 [0,0,0,0,0,0|3,1,0]=4 175 B10R1.66 OB(O)\C=C\c1ccco1 Amb27760362 [0,0,0,0,0,0|2,0,1]=3 176 B10R1.66 OB(O)\C=C\c1cccs1 Amb25790951 [0,0,0,0,0,0|2,1,1]=4 177 B10R1.66 S=C(S)NCc1ccco1 Amb16231255 [0,0,0,0,0,0|2,1,1]=4 178 B9R1.12 BrC\C=C\c1ccco1 Amb27867174 [1,0,0,0,0,0|1,0,1]=3 179 B9R1.12 C=CCCc1ccco1 Amb35680299 [1,0,0,0,0,0|0,0,3]=4 180 B9R1.12 C=C\C=C\c1cccs1 Amb26418485 [1,0,0,0,0,0|0,1,1]=3 181 B9R1.12 C=C\C=C\c1ccsc1 Amb26569661 [1,0,0,0,0,0|2,0,1]=4 182 B9R1.12 C=C\N=C\c1cccs1 Amb27240018 [1,0,0,0,0,0|1,1,1]=4 183 B9R1.12 CCCCc1ccco1 Amb10070290 [1,0,0,0,0,0|0,0,3]=4 184 B9R1.12 CCNCc1ccco1 Amb1137312 [1,0,0,0,0,0|1,0,2]=4 185 B9R1.12 CCNCc1ccco1 Amb8191019 [1,0,0,0,0,0|1,0,2]=4 186 B9R1.12 CCOCc1ccco1 Amb22234292 [1,0,0,0,0,0|1,0,2]=4 187 B9R1.12 CCSCc1ccco1 Amb26949169 [1,0,0,0,0,0|1,0,2]=4 188 B9R1.12 CC\N=C\c1ccco1 Amb27443134 [1,0,0,0,0,0|1,0,1]=3 189 B9R1.12 CNCCc1ccco1 Amb17399803 [1,0,0,0,0,0|1,0,2]=4 190 B9R1.12 CNNCc1ccco1 Amb27463559 [1,0,0,0,0,0|2,0,1]=4 191 B9R1.12 CO\C=C\c1cccs1 Amb27638492 [1,0,0,0,0,0|1,1,0]=3 192 B9R1.12 CO\C=C\c1ccoc1 Amb25349455 [1,0,0,0,0,0|3,0,0]=4 193 B9R1.12 CO\C=C\c1ccsc1 Amb27246685 [1,0,0,0,0,0|3,0,0]=4 194 B9R1.12 CO\C=C\c1cncs1 Amb32663125 [1,0,0,0,0,0|2,1,0]=4 195 B9R1.12 CO\N=C\c1cccs1 Amb27396629 [1,0,0,0,0,0|2,1,0]=4 196 B9R1.12 CSCCc1ccco1 Amb27438612 [1,0,0,0,0,0|1,0,2]=4 197 B9R1.12 CSSCc1ccco1 Amb8393174 [1,0,0,0,0,0|2,0,1]=4 198 B9R1.12 C\C=C/Cn1cccc1 Amb27790551 [1,0,0,0,0,0|2,0,1]=4 199 B9R1.12 C\C=C\Cn1cccn1 Amb27168412 [1,0,0,0,0,0|2,0,1]=4 200 B9R1.12 Cl\C=C\Cc1ccco1 Amb27843650 [1,0,0,0,0,0|1,0,1]=3 201 B9R1.12 Cl\C=C\Sc1cccs1 Amb27444040 [1,0,0,0,0,0|2,1,0]=4 202 B9R1.12 N#C\C=C/c1ccco1 Amb28200911 [1,0,0,0,0,0|1,0,1]=3 203 B9R1.12 N#C\C=C\c1cccs1 Amb3429733 [1,0,0,0,0,0|1,1,1]=4 204 B9R1.12 NC\C=C/c1cccs1 Amb27167022 [1,0,0,0,0,0|1,1,1]=4 205 B9R1.12 NC\C=C\c1ccco1 Amb10560864 [1,0,0,0,0,0|1,0,1]=3 206 B9R1.12 NC\C=C\c1cccs1 Amb18563038 [1,0,0,0,0,0|1,1,1]=4 207 B9R1.12 NC\C=C\c1cnco1 Amb33414799 [1,0,0,0,0,0|2,0,1]=4 208 B9R1.12 O=C=NCc1ccco1 Amb901884 [1,0,0,0,0,0|1,0,2]=4 209 B9R1.12 O=CCCc1ccco1 Amb17081672 [1,0,0,0,0,0|0,0,2]=3 210 B9R1.12 O=CCCc1cccs1 Amb17081673 [1,0,0,0,0,0|0,1,2]=4 211 B9R1.12 O=CCCc1cnco1 Amb26986955 [1,0,0,0,0,0|1,0,2]=4 212 B9R1.12 O=CCSc1cccs1 Amb17082929 [1,0,0,0,0,0|1,1,1]=4 213 B9R1.12 O=CNCc1ccco1 Amb3319177 [1,0,0,0,0,0|1,0,1]=3 214 B9R1.12 O=CNCc1cccs1 Amb27774671 [1,0,0,0,0,0|1,1,1]=4 215 B9R1.12 O=COCc1ccco1 Amb26359842 [1,0,0,0,0,0|1,0,1]=3 216 B9R1.12 O=C\C=C/c1ccco1 Amb27590405 [1,0,0,0,0,0|0,0,0]=1 217 B9R1.12 O=C\C=C\c1ccco1 Amb33870988 [1,0,0,0,0,0|0,0,0]=1 218 B9R1.12 O=C\C=C\c1cccs1 Amb17334164 [1,0,0,0,0,0|0,1,0]=2 219 B9R1.12 O=C\C=C\c1ccns1 Amb35719811 [1,0,0,0,0,0|1,1,0]=3 220 B9R1.12 O=C\C=C\c1ccoc1 Amb33136412 [1,0,0,0,0,0|2,0,0]=3 221 B9R1.12 O=C\C=C\c1ccon1 Amb33197559 [1,0,0,0,0,0|2,0,0]=3 222 B9R1.12 O=C\C=C\c1ccsc1 Amb18643292 [1,0,0,0,0,0|2,0,0]=3 223 B9R1.12 O=C\C=C\c1cnco1 Amb33414801 [1,0,0,0,0,0|1,0,0]=2 224 B9R1.12 O=C\C=C\c1cncs1 Amb33079492 [1,0,0,0,0,0|1,1,0]=3 225 B9R1.12 O=C\C=C\c1cscn1 Amb25299918 [1,0,0,0,0,0|2,0,0]=3 226 B9R1.12 O=C\C=C\c1csnn1 Amb33079502 [1,0,0,0,0,0|3,0,0]=4 227 B9R1.12 O=C\C=C\c1nccs1 Amb33359384 [1,0,0,0,0,0|1,1,0]=3 228 B9R1.12 O=C\C=C\n1cccn1 Amb18642043 [1,0,0,0,0,0|2,0,0]=3 229 B9R1.12 OC\C=C\c1ccco1 Amb837544 [1,0,0,0,0,0|0,0,2]=3 230 B9R1.12 OC\C=C\c1cccs1 Amb23555588 [1,0,0,0,0,0|0,1,2]=4 231 B9R1.12 OC\C=C\c1cnco1 Amb33414800 [1,0,0,0,0,0|1,0,2]=4 232 B9R1.12 O\N=C\Cc1ccco1 Amb28368538 [1,0,0,0,0,0|1,0,2]=4 233 B11R1.25 C=CC(=O)CCc1ccco1 Amb27988543 [0,1,0,0,0,0|0,0,3]=4 234 B11R1.25 CC(C=O)CCc1ccco1 Amb28080204 [0,1,0,0,0,0|0,0,3]=4 235 B11R1.25 CC(\C=C\c1ccco1)=N/O Amb32662875 [0,1,0,0,0,0|0,0,1]=2 236 B11R1.25 CC(\C=C\c1ccco1)CO Amb28281798 [0,1,0,0,0,0|0,0,2]=3 237 B11R1.25 CC(\C=C\c1cccs1)CO Amb27171689 [0,1,0,0,0,0|0,1,2]=4 238 B11R1.25 CCC(=O)CCc1ccco1 Amb18177203 [0,1,0,0,0,0|0,0,2]=3 239 B11R1.25 CCC(=O)CSc1cccs1 Amb19075945 [0,1,0,0,0,0|1,1,1]=4 240 B11R1.25 CCC(=O)NCc1ccco1 Amb3097296 [0,1,0,0,0,0|1,0,1]=3 241 B11R1.25 CCC(=O)NCc1cccs1 Amb8324161 [0,1,0,0,0,0|1,1,1]=4 242 B11R1.25 CCC(=O)OSc1cccs1 Amb27272272 [0,1,0,0,0,0|2,1,0]=4 243 B11R1.25 CCC(=O)SCc1ccco1 Amb9786684 [0,1,0,0,0,0|1,0,1]=3 244 B11R1.25 CCC(=O)\C=C\c1ccco1 Amb25233726 [0,1,0,0,0,0|0,0,0]=1 245 B11R1.25 CCS(=O)\N=C\c1ccco1 Amb35726565 [0,1,0,0,0,0|2,0,0]=3 246 B11R1.25 CCS(=O)\N=C\c1cccs1 Amb35726557 [0,1,0,0,0,0|2,1,0]=4 247 B11R1.25 CNC(=O)CCc1ccco1 Amb8328018 [0,1,0,0,0,0|0,0,2]=3 248 B11R1.25 CNC(=O)CCc1cccs1 Amb27464851 [0,1,0,0,0,0|0,1,2]=4 249 B11R1.25 CNC(=O)CSc1ncco1 Amb28249463 [0,1,0,0,0,0|2,0,1]=4 250 B11R1.25 CNC(=O)NCc1cccs1 Amb2132771 [0,1,0,0,0,0|1,1,1]=4 251 B11R1.25 CNC(=O)NCc1ccno1 Amb25682017 [0,1,0,0,0,0|2,0,1]=4 252 B11R1.25 CNC(=S)NCc1ccco1 Amb2738638 [0,1,0,0,0,0|1,1,1]=4 253 B11R1.25 COC(=N)CCc1ccco1 Amb18065394 [0,1,0,0,0,0|1,0,2]=4 254 B11R1.25 COC(=N)\C=C\c1ccco1 Amb27201924 [0,1,0,0,0,0|1,0,0]=2 255 B11R1.25 COC(=O)C#Cc1ccco1 Amb27855944 [0,1,0,0,0,0|0,0,2]=3 256 B11R1.25 COC(=O)C#Cc1cnco1 Amb33168805 [0,1,0,0,0,0|1,0,2]=4 257 B11R1.25 COC(=O)CCc1ccno1 Amb24762935 [0,1,0,0,0,0|1,0,2]=4 258 B11R1.25 COC(=O)NCc1ccco1 Amb3363702 [0,1,0,0,0,0|1,0,1]=3 259 B11R1.25 COC(=O)\C=C\C1=CCCC1 Amb24392864 [0,1,0,0,0,0|1,0,2]=4 260 B11R1.25 COC(=O)\C=C\c1ccco1 Amb26473604 [0,1,0,0,0,0|0,0,0]=1 261 B11R1.25 COC(=O)\C=C\c1cccs1 Amb2724557 [0,1,0,0,0,0|0,1,0]=2 262 B11R1.25 COC(=O)\C=C\c1cccs1 Amb33714728 [0,1,0,0,0,0|0,1,0]=2 263 B11R1.25 COC(=O)\C=C\c1ccno1 Amb27782507 [0,1,0,0,0,0|1,0,0]=2 264 B11R1.25 COC(=O)\C=C\c1ccns1 Amb30013692 [0,1,0,0,0,0|1,1,0]=3 265 B11R1.25 COC(=O)\C=C\c1ccsc1 Amb8630327 [0,1,0,0,0,0|2,0,0]=3 266 B11R1.25 COC(=O)\C=C\c1cncs1 Amb25909810 [0,1,0,0,0,0|1,1,0]=3 267 B11R1.25 COC(=O)\C=C\c1cocn1 Amb25208802 [0,1,0,0,0,0|2,0,0]=3 268 B11R1.25 COC(=O)\C=C\c1cscn1 Amb24409150 [0,1,0,0,0,0|2,0,0]=3 269 B11R1.25 COC(=O)\C=C\c1csnn1 Amb27176718 [0,1,0,0,0,0|3,0,0]=4 270 B11R1.25 COC(=O)\C=C\c1ncco1 Amb27398431 [0,1,0,0,0,0|1,0,0]=2 271 B11R1.25 COC(=O)\C=C\c1nccs1 Amb25758463 [0,1,0,0,0,0|1,1,0]=3 272 B11R1.25 COC(=O)\C=C\n1ccnc1 Amb25976817 [0,1,0,0,0,0|3,0,0]=4 273 B11R1.25 CSC(=S)NCc1ccco1 Amb5716146 [0,1,0,0,0,0|1,1,1]=4 274 B11R1.25 C[C@@H](C=O)\C=C\c1ccco1 Amb27854650 [0,1,0,0,0,0|0,0,1]=2 275 B11R1.25 C[C@H](\C=C\c1cccs1)CO Amb27397062 [0,1,0,0,0,0|0,1,2]=4 276 B11R1.25 C\C(CCc1ccco1)=N/O Amb19888637 [0,1,0,0,0,0|0,0,3]=4 277 B11R1.25 C\C(CCc1ccco1)=N\N Amb27840227 [0,1,0,0,0,0|1,0,2]=4 278 B11R1.25 N#CC(=O)\C=C\c1ccco1 Amb26627118 [0,1,0,0,0,0|0,0,1]=2 279 B11R1.25 N#CC(=O)\C=C\c1cccs1 Amb24372667 [0,1,0,0,0,0|0,1,1]=3 280 B11R1.25 N=C(\C=C\c1ccno1)NO Amb26053488 [0,1,0,0,0,0|2,0,1]=4 281 B11R1.25 NCC(=O)CCc1cccs1 Amb18563911 [0,1,0,0,0,0|0,1,2]=4 282 B11R1.25 NCC(=O)NCc1ccco1 Amb10609039 [0,1,0,0,0,0|1,0,1]=3 283 B11R1.25 NCC(=O)NCc1ccco1 Amb444976 [0,1,0,0,0,0|1,0,1]=3 284 B11R1.25 NCC(=O)NCc1cccs1 Amb5782413 [0,1,0,0,0,0|1,1,1]=4 285 B11R1.25 NCC(=O)NCc1cnco1 Amb25935541 [0,1,0,0,0,0|2,0,1]=4 286 B11R1.25 NCC(=O)NCc1ncco1 Amb27437231 [0,1,0,0,0,0|2,0,1]=4 287 B11R1.25 NNC(=O)CCc1ccco1 Amb6744507 [0,1,0,0,0,0|1,0,2]=4 288 B11R1.25 NNC(=O)NCc1ccco1 Amb33552055 [0,1,0,0,0,0|2,0,1]=4 289 B11R1.25 NNC(=O)\C=C\c1ccco1 Amb27211757 [0,1,0,0,0,0|1,0,0]=2 290 B11R1.25 NNC(=O)\C=C\c1nccs1 Amb28043750 [0,1,0,0,0,0|2,1,0]=4 291 B11R1.25 O=C(CBr)NCc1ccco1 Amb2221075 [0,1,0,0,0,0|1,0,1]=3 292 B11R1.25 O=C(CBr)NCc1cccs1 Amb2089070 [0,1,0,0,0,0|1,1,1]=4 293 B11R1.25 O=C(CBr)NCc1ccno1 Amb27855462 [0,1,0,0,0,0|2,0,1]=4 294 B11R1.25 O=C(CCl)CCc1ccco1 Amb27672907 [0,1,0,0,0,0|0,0,2]=3 295 B11R1.25 O=C(CCl)CCc1cccs1 Amb17139224 [0,1,0,0,0,0|0,1,2]=4 296 B11R1.25 O=C(CCl)NCc1ccco1 Amb6334831 [0,1,0,0,0,0|1,0,1]=3 297 B11R1.25 O=C(CCl)NCc1cccs1 Amb1149817 [0,1,0,0,0,0|1,1,1]=4 298 B11R1.25 O=C(CI)NCc1ccco1 Amb26943751 [0,1,0,0,0,0|1,0,1]=3 299 B11R1.25 O=C(CO)CCc1ccco1 Amb18065408 [0,1,0,0,0,0|0,0,2]=3 300 B11R1.25 O=C(CO)CCc1cccs1 Amb18563930 [0,1,0,0,0,0|0,1,2]=4 301 B11R1.25 O=C(CO)NCc1ccco1 Amb5798115 [0,1,0,0,0,0|1,0,1]=3 302 B11R1.25 O=C(CO)NCc1cccs1 Amb1110201 [0,1,0,0,0,0|1,1,1]=4 303 B11R1.25 O=C(CO)OCc1ccco1 Amb27988703 [0,1,0,0,0,0|1,0,1]=3 304 B11R1.25 O=C(CO)OCc1cccs1 Amb27988704 [0,1,0,0,0,0|1,1,1]=4 305 B11R1.25 O=C(\C=C\c1ccco1)CCl Amb26476618 [0,1,0,0,0,0|0,0,0]=1 306 B11R1.25 O=C(\C=C\c1cccs1)CCl Amb28347537 [0,1,0,0,0,0|0,1,0]=2 307 B11R1.25 O=C(\C=C\c1cccs1)NO Amb27479337 [0,1,0,0,0,0|1,1,0]=3 308 B11R1.25 O=C(\C=C\c1nccs1)NO Amb28078450 [0,1,0,0,0,0|2,1,0]=4 309 B11R1.25 O=CC(=O)\C=C\c1ccco1 Amb26331989 [0,1,0,0,0,0|0,0,1]=2 310 B11R1.35 C=C(C)C(O)Cc1ccco1 Amb28207366 [0,1,0,0,0,0|1,0,2]=4 311 B11R1.35 C=C(Cc1ccco1)C(=O)O Amb27985009 [0,1,0,0,0,0|1,0,1]=3 312 B11R1.35 CC(=N)N(C)Cc1ccco1 Amb28288271 [0,1,0,0,0,0|2,0,1]=4 313 B11R1.35 CC(=O)C(=O)Cc1ccco1 Amb25177671 [0,1,0,0,0,0|0,0,1]=2 314 B11R1.35 CC(=O)C(=O)Cc1cccs1 Amb24456858 [0,1,0,0,0,0|0,1,1]=3 315 B11R1.35 CC(=O)C(=O)Nc1ccsc1 Amb27484249 [0,1,0,0,0,0|3,0,0]=4 316 B11R1.35 CC(=O)C(=O)Nc1nccs1 Amb28454115 [0,1,0,0,0,0|2,1,0]=4 317 B11R1.35 CC(=O)C(C)Cc1ccco1 Amb17939894 [0,1,0,0,0,0|0,0,2]=3 318 B11R1.35 CC(=O)N(C)Cc1ccco1 Amb8336371 [0,1,0,0,0,0|1,0,1]=3 319 B11R1.35 CC(=O)\C(C)=C\c1ccco1 Amb33079023 [0,1,0,0,0,0|0,0,0]=1 320 B11R1.35 CC(=O)\C(C)=C\c1ccns1 Amb35720407 [0,1,0,0,0,0|1,1,0]=3 321 B11R1.35 CC(=O)\C(C)=C\c1ccoc1 Amb27985419 [0,1,0,0,0,0|2,0,0]=3 322 B11R1.35 CC(=O)\C(C)=C\c1ccsc1 Amb24434611 [0,1,0,0,0,0|2,0,0]=3 323 B11R1.35 CC(=O)\C(C)=C\c1csnn1 Amb27176720 [0,1,0,0,0,0|3,0,0]=4 324 B11R1.35 CC(Cc1ccco1)C(=O)O Amb33540750 [0,1,0,0,0,0|1,0,2]=4 325 B11R1.35 CC(N)C(=O)Cc1ccco1 Amb27391416 [0,1,0,0,0,0|1,0,2]=4 326 B11R1.35 CN(Cc1ccco1)C(=O)Cl Amb33296643 [0,1,0,0,0,0|2,0,1]=4 327 B11R1.35 CS(=O)\C(Cl)=C\c1cccs1 Amb24309139 [0,1,0,0,0,0|1,1,0]=3 328 B11R1.35 C[C@@H](N)C(=O)Cc1ccco1 Amb30024814 [0,1,0,0,0,0|1,0,2]=4 329 B11R1.35 C[C@H](N)C(=O)Cc1ccco1 Amb33131786 [0,1,0,0,0,0|1,0,2]=4 330 B11R1.35 C\C(=C/c1ccco1)C(=N)N Amb32953924 [0,1,0,0,0,0|2,0,0]=3 331 B11R1.35 C\C(=C/c1ccco1)C(=O)O Amb5743924 [0,1,0,0,0,0|1,0,0]=2 332 B11R1.35 C\C(=C/c1ccco1)C(C)N Amb33449110 [0,1,0,0,0,0|1,0,1]=3 333 B11R1.35 C\C(=C/c1ccco1)C(N)=O Amb27231811 [0,1,0,0,0,0|1,0,0]=2 334 B11R1.35 C\C(=C/c1ccco1)C(N)=S Amb33197985 [0,1,0,0,0,0|1,1,0]=3 335 B11R1.35 C\C(=C/c1ccco1)[C@@H](C)N Amb33311660 [0,1,0,0,0,0|1,0,1]=3 336 B11R1.35 C\C(=C/c1ccco1)[C@@H](C)O Amb33311658 [0,1,0,0,0,0|0,0,2]=3 337 B11R1.35 C\C(=C/c1ccco1)[C@H](C)N Amb33311600 [0,1,0,0,0,0|1,0,1]=3 338 B11R1.35 C\C(=C/c1ccco1)[C@H](C)O Amb33474941 [0,1,0,0,0,0|0,0,2]=3 339 B11R1.35 C\C(=C/c1ccco1)[N+](=O)[O-] Amb31267735 [0,1,0,0,0,0|2,0,0]=3 340 B11R1.35 C\C(=C/c1cccs1)C(=O)O Amb5743925 [0,1,0,0,0,0|1,1,0]=3 341 B11R1.35 C\C(=C/c1cccs1)C(C)Cl Amb27468165 [0,1,0,0,0,0|1,1,1]=4 342 B11R1.35 C\C(=C/c1cccs1)[N+](=O)[O-] Amb2609400 [0,1,0,0,0,0|2,1,0]=4 343 B11R1.35 C\C(=C/c1ccns1)C(=O)O Amb30013782 [0,1,0,0,0,0|2,1,0]=4 344 B11R1.35 C\C(=C/c1ccoc1)C(=O)O Amb27975673 [0,1,0,0,0,0|3,0,0]=4 345 B11R1.35 C\C(=C/c1cncs1)C(=O)O Amb27803283 [0,1,0,0,0,0|2,1,0]=4 346 B11R1.35 C\C(=C/c1cscn1)C(=O)O Amb27453159 [0,1,0,0,0,0|3,0,0]=4 347 B11R1.35 C\C(=C\c1ccco1)C(=N)N Amb27789869 [0,1,0,0,0,0|2,0,0]=3 348 B11R1.35 C\C(=C\c1ccco1)C(=O)O Amb4010273 [0,1,0,0,0,0|1,0,0]=2 349 B11R1.35 C\C(=C\c1ccco1)[N+](=O)[O-] Amb6374135 [0,1,0,0,0,0|2,0,0]=3 350 B11R1.35 C\C(=C\c1cccs1)C(=O)Cl Amb27952877 [0,1,0,0,0,0|1,1,0]=3 351 B11R1.35 C\C(=C\c1cccs1)[N+](=O)[O-] Amb26359545 [0,1,0,0,0,0|2,1,0]=4 352 B11R1.35 C\C(=C\c1ccsc1)C(=O)O Amb28069074 [0,1,0,0,0,0|3,0,0]=4 353 B11R1.35 C\C(=C\c1nccs1)C(=O)O Amb27250230 [0,1,0,0,0,0|2,1,0]=4 354 B11R1.35 NC(=O)C(N)Cc1ccco1 Amb33066014 [0,1,0,0,0,0|1,0,2]=4 355 B11R1.35 NC(Cc1ccco1)C(=O)O Amb9724188 [0,1,0,0,0,0|1,0,2]=4 356 B11R1.35 N[C@@H](Cc1ccco1)C(=O)O Amb10068214 [0,1,0,0,0,0|1,0,2]=4 357 B11R1.35 N[C@@H](Cc1ccco1)C(=O)O Amb31291682 [0,1,0,0,0,0|1,0,2]=4 358 B11R1.35 N[C@H](Cc1ccco1)C(=O)O Amb10068215 [0,1,0,0,0,0|1,0,2]=4 359 B11R1.35 N\C(=C/c1ccns1)C(=O)O Amb27883195 [0,1,0,0,0,0|2,1,0]=4 360 B11R1.35 N\C(=C/c1cncs1)C(=O)O Amb35608674 [0,1,0,0,0,0|2,1,0]=4 361 B11R1.35 N\C(=C\c1ccco1)C(=O)O Amb27493744 [0,1,0,0,0,0|1,0,0]=2 362 B11R1.35 O=C(Cc1ccco1)C(O)=S Amb25871308 [0,1,0,0,0,0|1,0,2]=4 363 B11R1.35 O=C(O)C(=O)Cc1ccco1 Amb1137668 [0,1,0,0,0,0|1,0,1]=3 364 B11R1.35 O=C(O)C(=O)Cc1cccs1 Amb1135982 [0,1,0,0,0,0|1,1,1]=4 365 B11R1.35 O=C(O)C(=O)Cc1cnco1 Amb33415275 [0,1,0,0,0,0|2,0,1]=4 366 B11R1.35 O=C(O)C(=O)Nc1cccs1 Amb27450757 [0,1,0,0,0,0|2,1,0]=4 367 B11R1.35 O=C(O)C(=S)Cc1ccco1 Amb4026925 [0,1,0,0,0,0|1,0,1]=3 368 B11R1.35 O=C(O)C(O)Cc1ccco1 Amb17138461 [0,1,0,0,0,0|1,0,2]=4 369 B11R1.35 O=C(O)\C(F)=C\c1cccs1 Amb27470240 [0,1,0,0,0,0|1,1,0]=3 370 B11R1.35 O=C(O)\C(F)=C\c1ccns1 Amb30013797 [0,1,0,0,0,0|2,1,0]=4 371 B11R1.35 O=C([O-])C(=O)Cc1cccs1 Amb33512939 [0,1,0,0,0,0|1,1,1]=4 372 B11R1.75 CC(=N)NCc1ccc(Cl)o1 Amb35635348 [0,1,0,0,0,0|2,0,1]=4 373 B11R1.75 CC(=O)CCc1cc(Br)co1 Amb33431947 [0,1,0,0,0,0|0,0,2]=3 374 B11R1.75 CC(=O)CCc1cc(Br)cs1 Amb24533193 [0,1,0,0,0,0|0,1,2]=4 375 B11R1.75 CC(=O)CCc1cc(C)cs1 Amb33373478 [0,1,0,0,0,0|0,1,2]=4 376 B11R1.75 CC(=O)CCc1cc(C)no1 Amb26445801 [0,1,0,0,0,0|1,0,2]=4 377 B11R1.75 CC(=O)CCc1cc(Cl)cs1 Amb33058561 [0,1,0,0,0,0|0,1,2]=4 378 B11R1.75 CC(=O)CCc1ccc(Br)o1 Amb25358774 [0,1,0,0,0,0|0,0,2]=3 379 B11R1.75 CC(=O)CCc1ccc(Br)s1 Amb9031566 [0,1,0,0,0,0|0,1,2]=4 380 B11R1.75 CC(=O)CCc1ccc(C)o1 Amb2794107 [0,1,0,0,0,0|0,0,2]=3 381 B11R1.75 CC(=O)CCc1ccc(C)s1 Amb27197401 [0,1,0,0,0,0|0,1,2]=4 382 B11R1.75 CC(=O)CCc1ccc(Cl)o1 Amb33258674 [0,1,0,0,0,0|0,0,2]=3 383 B11R1.75 CC(=O)CCc1ccc(Cl)s1 Amb9031565 [0,1,0,0,0,0|0,1,2]=4 384 B11R1.75 CC(=O)CCc1ncc(C)o1 Amb18201112 [0,1,0,0,0,0|1,0,2]=4 385 B11R1.75 CC(=O)NCc1ccc(Br)s1 Amb14004357 [0,1,0,0,0,0|1,1,1]=4 386 B11R1.75 CC(=O)NCc1ccc(Cl)s1 Amb27762022 [0,1,0,0,0,0|1,1,1]=4 387 B11R1.75 CC(=O)NCc1ncc(C)o1 Amb28399080 [0,1,0,0,0,0|2,0,1]=4 388 B11R1.75 CC(=O)N\C=C1\CNC(=O)O1 Amb27796187 [0,1,0,0,0,0|2,0,1]=4 389 B11R1.75 CC(=O)OCc1cc(C)co1 Amb28410173 [0,1,0,0,0,0|1,0,1]=3 390 B11R1.75 CC(=O)OCc1cc(C)no1 Amb26470976 [0,1,0,0,0,0|2,0,1]=4 391 B11R1.75 CC(=O)OCc1ccc(Br)o1 Amb25868496 [0,1,0,0,0,0|1,0,1]=3 392 B11R1.75 CC(=O)OCc1ccc(Br)s1 Amb27176739 [0,1,0,0,0,0|1,1,1]=4 393 B11R1.75 CC(=O)OCc1ccc(Cl)o1 Amb27868505 [0,1,0,0,0,0|1,0,1]=3 394 B11R1.75 CC(=O)OCc1ccc(Cl)s1 Amb27427109 [0,1,0,0,0,0|1,1,1]=4 395 B11R1.75 CC(=O)OCc1ncc(C)o1 Amb22284643 [0,1,0,0,0,0|2,0,1]=4 396 B11R1.75 CC(=O)SCc1cc(Br)cs1 Amb13890443 [0,1,0,0,0,0|1,1,1]=4 397 B11R1.75 CC(=O)SCc1ccc(C)o1 Amb27794255 [0,1,0,0,0,0|1,0,1]=3 398 B11R1.75 CC(=O)\C=C/C1=CC(=O)CC1 Amb28351395 [0,1,0,0,0,0|1,0,1]=3 399 B11R1.75 CC(=O)\C=C\c1cc(Br)co1 Amb33431943 [0,1,0,0,0,0|0,0,0]=1 400 B11R1.75 CC(=O)\C=C\c1cc(Br)cs1 Amb28322767 [0,1,0,0,0,0|0,1,0]=2 401 B11R1.75 CC(=O)\C=C\c1cc(C)cs1 Amb33373479 [0,1,0,0,0,0|0,1,0]=2 402 B11R1.75 CC(=O)\C=C\c1cc(C)no1 Amb26021563 [0,1,0,0,0,0|1,0,0]=2 403 B11R1.75 CC(=O)\C=C\c1cc(C)ns1 Amb35720408 [0,1,0,0,0,0|1,1,0]=3 404 B11R1.75 CC(=O)\C=C\c1cc(C)on1 Amb33315992 [0,1,0,0,0,0|2,0,0]=3 405 B11R1.75 CC(=O)\C=C\c1cc(Cl)cs1 Amb33220768 [0,1,0,0,0,0|0,1,0]=2 406 B11R1.75 CC(=O)\C=C\c1ccc(Br)o1 Amb33241034 [0,1,0,0,0,0|0,0,0]=1 407 B11R1.75 CC(=O)\C=C\c1ccc(Br)s1 Amb33451169 [0,1,0,0,0,0|0,1,0]=2 408 B11R1.75 CC(=O)\C=C\c1ccc(C)o1 Amb3484427 [0,1,0,0,0,0|0,0,0]=1 409 B11R1.75 CC(=O)\C=C\c1ccc(C)s1 Amb33171945 [0,1,0,0,0,0|0,1,0]=2 410 B11R1.75 CC(=O)\C=C\c1ccc(Cl)o1 Amb33052107 [0,1,0,0,0,0|0,0,0]=1 411 B11R1.75 CC(=O)\C=C\c1ccc(Cl)s1 Amb33406786 [0,1,0,0,0,0|0,1,0]=2 412 B11R1.75 CC(=O)\C=C\c1ccn(C)n1 Amb32726634 [0,1,0,0,0,0|2,0,0]=3 413 B11R1.75 CC(=O)\C=C\c1cn(C)cn1 Amb33079480 [0,1,0,0,0,0|2,0,0]=3 414 B11R1.75 CC(=O)\C=C\c1cn(C)nn1 Amb33172161 [0,1,0,0,0,0|3,0,0]=4 415 B11R1.75 CC(=O)\C=C\c1cnc(C)s1 Amb33358435 [0,1,0,0,0,0|1,1,0]=3 416 B11R1.75 CC(=O)\C=C\c1cnc(Cl)s1 Amb33221355 [0,1,0,0,0,0|1,1,0]=3 417 B11R1.75 CC(=O)\C=C\c1cnn(C)c1 Amb33080262 [0,1,0,0,0,0|3,0,0]=4 418 B11R1.75 CC(=O)\C=C\c1csc(Br)c1 Amb33451086 [0,1,0,0,0,0|2,0,0]=3 419 B11R1.75 CC(=O)\C=C\c1csc(Br)n1 Amb33335508 [0,1,0,0,0,0|2,0,0]=3 420 B11R1.75 CC(=O)\C=C\c1csc(C)n1 Amb33360384 [0,1,0,0,0,0|2,0,0]=3 421 B11R1.75 CC(=O)\C=C\c1ncc(Br)s1 Amb33436103 [0,1,0,0,0,0|1,1,0]=3 422 B11R1.75 CC(=O)\C=C\c1ncc(C)s1 Amb28244939 [0,1,0,0,0,0|1,1,0]=3 423 B11R1.75 CC(=S)OCc1cc(C)co1 Amb25121246 [0,1,0,0,0,0|1,1,1]=4 424 B11R1.75 CC(=S)OCc1ccc(C)o1 Amb27653395 [0,1,0,0,0,0|1,1,1]=4 425 B11R1.75 CC(Br)\C=C\c1cc(Br)cs1 Amb27593300 [0,1,0,0,0,0|1,1,1]=4 426 B11R1.75 CC(Br)\C=C\c1ccc(Br)o1 Amb27589272 [0,1,0,0,0,0|1,0,1]=3 427 B11R1.75 CC(Cl)\C=C\c1cc(Br)cs1 Amb28136238 [0,1,0,0,0,0|1,1,1]=4 428 B11R1.75 CC(Cl)\C=C\c1ccc(Br)s1 Amb27443704 [0,1,0,0,0,0|1,1,1]=4 429 B11R1.75 CC(Cl)\C=C\c1ccc(Cl)o1 Amb28454556 [0,1,0,0,0,0|1,0,1]=3 430 B11R1.75 CC(N)\C=C\c1cc(Br)co1 Amb33431976 [0,1,0,0,0,0|1,0,1]=3 431 B11R1.75 CC(N)\C=C\c1cc(Br)cs1 Amb33242993 [0,1,0,0,0,0|1,1,1]=4 432 B11R1.75 CC(N)\C=C\c1cc(Cl)cs1 Amb33051988 [0,1,0,0,0,0|1,1,1]=4 433 B11R1.75 CC(N)\C=C\c1ccc(Br)o1 Amb33451031 [0,1,0,0,0,0|1,0,1]=3 434 B11R1.75 CC(N)\C=C\c1ccc(Br)s1 Amb33242926 [0,1,0,0,0,0|1,1,1]=4 435 B11R1.75 CC(N)\C=C\c1ccc(Cl)o1 Amb33220562 [0,1,0,0,0,0|1,0,1]=3 436 B11R1.75 CC(N)\C=C\c1ccc(Cl)s1 Amb33220776 [0,1,0,0,0,0|1,1,1]=4 437 B11R1.75 CC(O)\C=C\c1ccc(Cl)o1 Amb28284821 [0,1,0,0,0,0|0,0,2]=3 438 B11R1.75 CS(=O)NCc1ccc(Br)o1 Amb28062755 [0,1,0,0,0,0|2,0,1]=4 439 B11R1.75 CS(=O)\N=C\c1cc(Br)cs1 Amb35684968 [0,1,0,0,0,0|2,1,0]=4 440 B11R1.75 CS(=O)\N=C\c1cc(Cl)cs1 Amb35718504 [0,1,0,0,0,0|2,1,0]=4 441 B11R1.75 CS(=O)\N=C\c1ccc(Br)o1 Amb35718872 [0,1,0,0,0,0|2,0,0]=3 442 B11R1.75 CS(=O)\N=C\c1ccc(Br)s1 Amb35684980 [0,1,0,0,0,0|2,1,0]=4 443 B11R1.75 CS(=O)\N=C\c1ccc(Cl)o1 Amb35718873 [0,1,0,0,0,0|2,0,0]=3 444 B11R1.75 CS(=O)\N=C\c1ccc(Cl)s1 Amb35685183 [0,1,0,0,0,0|2,1,0]=4 445 B11R1.75 C\C(N)=N\Cc1ccc(Cl)o1 Amb27178751 [0,1,0,0,0,0|2,0,1]=4 446 B11R1.75 Cc1cc(\C=C/C(N)=O)on1 Amb28254231 [0,1,0,0,0,0|2,0,0]=3 447 B11R1.75 Cc1cc(\C=C\C(=O)O)co1 Amb25893070 [0,1,0,0,0,0|3,0,0]=4 448 B11R1.75 Cc1cc(\C=C\C(=O)O)cs1 Amb25300336 [0,1,0,0,0,0|3,0,0]=4 449 B11R1.75 Cc1cc(\C=C\C(=O)O)no1 Amb18125519 [0,1,0,0,0,0|3,0,0]=4 450 B11R1.75 Cc1cc(\C=C\C(=O)O)on1 Amb33079891 [0,1,0,0,0,0|2,0,0]=3 451 B11R1.75 Cc1cc(\C=C\C(=O)O)sn1 Amb25975414 [0,1,0,0,0,0|2,1,0]=4 452 B11R1.75 Cc1cc(\C=C\C(C)Br)on1 Amb27436709 [0,1,0,0,0,0|2,0,1]=4 453 B11R1.75 Cc1cc(\C=C\C(C)Cl)on1 Amb27656171 [0,1,0,0,0,0|2,0,1]=4 454 B11R1.75 Cc1cc(\C=C\C(C)N)on1 Amb27840358 [0,1,0,0,0,0|2,0,1]=4 455 B11R1.75 Cc1cc(\C=C\[N+](=O)[O-])on1 Amb33359055 [0,1,0,0,0,0|3,0,0]=4 456 B11R1.75 Cc1cc(\C=N\S(C)=O)on1 Amb29865967 [0,1,0,0,0,0|3,0,0]=4 457 B11R1.75 Cc1ccc(C#CC(=O)O)o1 Amb25361971 [0,1,0,0,0,0|1,0,2]=4 458 B11R1.75 Cc1ccc(CCC(=O)O)o1 Amb6336472 [0,1,0,0,0,0|1,0,2]=4 459 B11R1.75 Cc1ccc(CCC(N)=O)o1 Amb4055592 [0,1,0,0,0,0|1,0,2]=4 460 B11R1.75 Cc1ccc(CNC(=O)Cl)o1 Amb35625549 [0,1,0,0,0,0|2,0,1]=4 461 B11R1.75 Cc1ccc(OCC(=O)O)o1 Amb33317586 [0,1,0,0,0,0|2,0,1]=4 462 B11R1.75 Cc1ccc(SCC(N)=O)o1 Amb28385570 [0,1,0,0,0,0|2,0,1]=4 463 B11R1.75 Cc1ccc(\C=C\C(=O)Cl)o1 Amb16230249 [0,1,0,0,0,0|1,0,0]=2 464 B11R1.75 Cc1ccc(\C=C\C(=O)O)o1 Amb34915176 [0,1,0,0,0,0|1,0,0]=2 465 B11R1.75 Cc1ccc(\C=C\C(=O)O)s1 Amb33714764 [0,1,0,0,0,0|1,1,0]=3 466 B11R1.75 Cc1ccc(\C=C\C(=O)O)s1 Amb425405 [0,1,0,0,0,0|1,1,0]=3 467 B11R1.75 Cc1ccc(\C=C\C(C)N)o1 Amb33429718 [0,1,0,0,0,0|1,0,1]=3 468 B11R1.75 Cc1ccc(\C=C\C(C)N)s1 Amb33474714 [0,1,0,0,0,0|1,1,1]=4 469 B11R1.75 Cc1ccc(\C=C\C(N)=O)o1 Amb6514414 [0,1,0,0,0,0|1,0,0]=2 470 B11R1.75 Cc1ccc(\C=C\[N+](=O)[O-])o1 Amb1878176 [0,1,0,0,0,0|2,0,0]=3 471 B11R1.75 Cc1ccc(\C=C\[N+](=O)[O-])s1 Amb27589980 [0,1,0,0,0,0|2,1,0]=4 472 B11R1.75 Cc1ccc(\C=N\S(C)=O)o1 Amb35681718 [0,1,0,0,0,0|2,0,0]=3 473 B11R1.75 Cc1ccc(\C=N\S(C)=O)s1 Amb35718863 [0,1,0,0,0,0|2,1,0]=4 474 B11R1.75 Cc1coc(\C=C\C(=O)O)c1 Amb25958503 [0,1,0,0,0,0|1,0,0]=2 475 B11R1.75 Cc1coc(\C=C\C(=O)O)n1 Amb32941829 [0,1,0,0,0,0|2,0,0]=3 476 B11R1.75 Cc1csc(\C=C\C(=O)O)c1 Amb33171868 [0,1,0,0,0,0|1,1,0]=3 477 B11R1.75 Cc1csc(\C=C\C(=O)O)n1 Amb28458378 [0,1,0,0,0,0|2,1,0]=4 478 B11R1.75 Cc1csc(\C=C\C(C)N)c1 Amb33373458 [0,1,0,0,0,0|1,1,1]=4 479 B11R1.75 Cc1csc(\C=C\[N+](=O)[O-])c1 Amb33427130 [0,1,0,0,0,0|2,1,0]=4 480 B11R1.75 Cc1nc(\C=C\C(=O)O)co1 Amb27632440 [0,1,0,0,0,0|3,0,0]=4 481 B11R1.75 Cc1nc(\C=C\C(=O)O)cs1 Amb501605 [0,1,0,0,0,0|3,0,0]=4 482 B11R1.75 Cc1nc(\C=C\C(N)=O)cs1 Amb8858724 [0,1,0,0,0,0|3,0,0]=4 483 B11R1.75 Cc1ncc(\C=C\C(=O)O)s1 Amb18255512 [0,1,0,0,0,0|2,1,0]=4 484 B11R1.75 Cc1nnc(\C=C\C(=O)O)o1 Amb18065407 [0,1,0,0,0,0|3,0,0]=4 485 B11R1.75 Cn1ccc(\C=C\C(=O)O)c1 Amb33473125 [0,1,0,0,0,0|3,0,0]=4 486 B11R1.75 Cn1ccc(\C=C\C(=O)O)n1 Amb33249590 [0,1,0,0,0,0|3,0,0]=4 487 B11R1.75 Cn1cnc(\C=C/C(=O)O)c1 Amb28066706 [0,1,0,0,0,0|3,0,0]=4 488 B11R1.75 Cn1cnc(\C=C\C(=O)O)c1 Amb18125373 [0,1,0,0,0,0|3,0,0]=4 489 B11R1.75 Cn1cnc(\C=C\C(=O)O)c1 Amb34914982 [0,1,0,0,0,0|3,0,0]=4 490 B11R1.75 NC(=O)NCc1ccc(Br)o1 Amb28125378 [0,1,0,0,0,0|2,0,1]=4 491 B11R1.75 NC(=O)\C=C\c1cc(Br)cs1 Amb27255914 [0,1,0,0,0,0|1,1,0]=3 492 B11R1.75 NC(=O)\C=C\c1ccc(Br)s1 Amb8997709 [0,1,0,0,0,0|1,1,0]=3 493 B11R1.75 NC(=O)\C=C\c1cnc(Br)s1 Amb27843443 [0,1,0,0,0,0|2,1,0]=4 494 B11R1.75 Nc1ncc(\C=C\C(=O)O)s1 Amb26505818 [0,1,0,0,0,0|2,1,0]=4 495 B11R1.75 O=C(Cl)NCc1ccc(Br)o1 Amb35633454 [0,1,0,0,0,0|2,0,1]=4 496 B11R1.75 O=C(Cl)NCc1ccc(Cl)o1 Amb35625508 [0,1,0,0,0,0|2,0,1]=4 497 B11R1.75 O=C(Cl)\C=C\c1ccc(Cl)s1 Amb25149043 [0,1,0,0,0,0|1,1,0]=3 498 B11R1.75 O=C(O)C#Cc1ccc(Br)o1 Amb27466662 [0,1,0,0,0,0|1,0,2]=4 499 B11R1.75 O=C(O)CCc1cc(Br)co1 Amb33332934 [0,1,0,0,0,0|1,0,2]=4 500 B11R1.75 O=C(O)CCc1ccc(Br)o1 Amb9175389 [0,1,0,0,0,0|1,0,2]=4 501 B11R1.75 O=C(O)CCc1ccc(Cl)o1 Amb27235080 [0,1,0,0,0,0|1,0,2]=4 502 B11R1.75 O=C(O)CCc1ccc(F)o1 Amb27428994 [0,1,0,0,0,0|1,0,2]=4 503 B11R1.75 O=C(O)COc1cc(Br)co1 Amb33383653 [0,1,0,0,0,0|2,0,1]=4 504 B11R1.75 O=C(O)COc1ccc(Br)o1 Amb33452237 [0,1,0,0,0,0|2,0,1]=4 505 B11R1.75 O=C(O)COc1ccc(Cl)o1 Amb33259048 [0,1,0,0,0,0|2,0,1]=4 506 B11R1.75 O=C(O)\C=C/c1cc(Br)cs1 Amb10069468 [0,1,0,0,0,0|1,1,0]=3 507 B11R1.75 O=C(O)\C=C\C1=CNC(=S)N1 Amb24726371 [0,1,0,0,0,0|3,0,0]=4 508 B11R1.75 O=C(O)\C=C\C1=NC(=O)CO1 Amb27231808 [0,1,0,0,0,0|2,0,1]=4 509 B11R1.75 O=C(O)\C=C\c1cc(Br)co1 Amb33451300 [0,1,0,0,0,0|1,0,0]=2 510 B11R1.75 O=C(O)\C=C\c1cc(Br)cs1 Amb7764677 [0,1,0,0,0,0|1,1,0]=3 511 B11R1.75 O=C(O)\C=C\c1cc(Cl)cs1 Amb33052706 [0,1,0,0,0,0|1,1,0]=3 512 B11R1.75 O=C(O)\C=C\c1cc(Cl)no1 Amb18127135 [0,1,0,0,0,0|2,0,0]=3 513 B11R1.75 O=C(O)\C=C\c1ccc(Br)o1 Amb1102780 [0,1,0,0,0,0|1,0,0]=2 514 B11R1.75 O=C(O)\C=C\c1ccc(Br)s1 Amb30296 [0,1,0,0,0,0|1,1,0]=3 515 B11R1.75 O=C(O)\C=C\c1ccc(Cl)o1 Amb1107531 [0,1,0,0,0,0|1,0,0]=2 516 B11R1.75 O=C(O)\C=C\c1ccc(Cl)s1 Amb501590 [0,1,0,0,0,0|1,1,0]=3 517 B11R1.75 O=C(O)\C=C\c1ccc(F)o1 Amb26070880 [0,1,0,0,0,0|1,0,0]=2 518 B11R1.75 O=C(O)\C=C\c1ccc(I)o1 Amb33578339 [0,1,0,0,0,0|1,0,0]=2 519 B11R1.75 O=C(O)\C=C\c1cnc(Br)s1 Amb27794323 [0,1,0,0,0,0|2,1,0]=4 520 B11R1.75 O=C(O)\C=C\c1cnc(Cl)s1 Amb26845257 [0,1,0,0,0,0|2,1,0]=4 521 B11R1.75 O=C(O)\C=C\c1coc(Br)c1 Amb33470081 [0,1,0,0,0,0|3,0,0]=4 522 B11R1.75 O=C(O)\C=C\c1csc(Br)c1 Amb34185909 [0,1,0,0,0,0|3,0,0]=4 523 B11R1.75 O=C(O)\C=C\c1csc(Br)n1 Amb28130054 [0,1,0,0,0,0|3,0,0]=4 524 B11R1.75 O=C(O)\C=C\c1csc(Cl)c1 Amb33051987 [0,1,0,0,0,0|3,0,0]=4 525 B11R1.75 O=C(O)\C=C\c1csc(I)c1 Amb33470063 [0,1,0,0,0,0|3,0,0]=4 526 B11R1.75 O=C(O)\C=C\c1ncc(Cl)s1 Amb27207876 [0,1,0,0,0,0|2,1,0]=4 527 B11R1.75 O=[N+]([O-])\C=C\c1cc(Br)co1 Amb33431909 [0,1,0,0,0,0|2,0,0]=3 528 B11R1.75 O=[N+]([O-])\C=C\c1cc(Br)cs1 Amb2725407 [0,1,0,0,0,0|2,1,0]=4 529 B11R1.75 O=[N+]([O-])\C=C\c1cc(Cl)co1 Amb28059813 [0,1,0,0,0,0|2,0,0]=3 530 B11R1.75 O=[N+]([O-])\C=C\c1cc(Cl)cs1 Amb33262415 [0,1,0,0,0,0|2,1,0]=4 531 B11R1.75 O=[N+]([O-])\C=C\c1ccc(Br)o1 Amb20671638 [0,1,0,0,0,0|2,0,0]=3 532 B11R1.75 O=[N+]([O-])\C=C\c1ccc(Cl)o1 Amb18180419 [0,1,0,0,0,0|2,0,0]=3 533 B11R1.75 O=[N+]([O-])\C=C\c1ccc(Cl)s1 Amb2611498 [0,1,0,0,0,0|2,1,0]=4 534 B11R1.77 C=C(C)CC(=O)c1ccco1 Amb18065315 [0,1,0,0,0,0|1,0,1]=3 535 B11R1.77 C=C(C)CC(=O)c1cccs1 Amb18563758 [0,1,0,0,0,0|1,1,1]=4 536 B11R1.77 C=C(C)CC(O)c1ccco1 Amb28383642 [0,1,0,0,0,0|1,0,2]=4 537 B11R1.77 C=C(CC(=O)O)c1cccs1 Amb27607726 [0,1,0,0,0,0|1,1,1]=4 538 B11R1.77 C=C(NC(C)=O)c1ccsc1 Amb27176609 [0,1,0,0,0,0|3,0,0]=4 539 B11R1.77 CC(=O)CC(=O)c1ccco1 Amb6298873 [0,1,0,0,0,0|0,0,1]=2 540 B11R1.77 CC(=O)CC(=O)c1cccs1 Amb6752515 [0,1,0,0,0,0|0,1,1]=3 541 B11R1.77 CC(=O)CC(=O)c1ccoc1 Amb24730360 [0,1,0,0,0,0|2,0,1]=4 542 B11R1.77 CC(=O)CC(=O)c1ccsc1 Amb18185564 [0,1,0,0,0,0|2,0,1]=4 543 B11R1.77 CC(=O)CC(=O)c1cncs1 Amb27763227 [0,1,0,0,0,0|1,1,1]=4 544 B11R1.77 CC(=O)CC(=O)c1cscn1 Amb26980772 [0,1,0,0,0,0|2,0,1]=4 545 B11R1.77 CC(=O)CC(=O)c1nccs1 Amb26630881 [0,1,0,0,0,0|1,1,1]=4 546 B11R1.77 CC(=O)CC(=O)n1cccc1 Amb27593981 [0,1,0,0,0,0|2,0,1]=4 547 B11R1.77 CC(=O)CC(C)c1cccs1 Amb5740066 [0,1,0,0,0,0|0,1,2]=4 548 B11R1.77 CC(=O)CC(O)c1ccco1 Amb26055659 [0,1,0,0,0,0|0,0,2]=3 549 B11R1.77 CC(=O)C[C@H](C)c1cccs1 Amb27948566 [0,1,0,0,0,0|0,1,2]=4 550 B11R1.77 CC(=O)NC(C)c1cccs1 Amb4552225 [0,1,0,0,0,0|1,1,1]=4 551 B11R1.77 CC(=O)N[C@H](C)c1ccco1 Amb27834225 [0,1,0,0,0,0|1,0,1]=3 552 B11R1.77 CC(=O)OC(C)c1cccs1 Amb25667972 [0,1,0,0,0,0|1,1,1]=4 553 B11R1.77 CC(=O)O[C@H](C)c1ccco1 Amb8515980 [0,1,0,0,0,0|1,0,1]=3 554 B11R1.77 CC(=O)\C=C(/C)c1cccs1 Amb27227102 [0,1,0,0,0,0|0,1,0]=2 555 B11R1.77 CC(=O)\C=C(/N)c1cccs1 Amb27823651 [0,1,0,0,0,0|0,1,0]=2 556 B11R1.77 CC(=O)\C=C(\C)c1nccs1 Amb27951091 [0,1,0,0,0,0|1,1,0]=3 557 B11R1.77 CC(=O)\C=C(\C)n1ccnc1 Amb28132332 [0,1,0,0,0,0|3,0,0]=4 558 B11R1.77 CC(=O)\C=C(\N)c1ccco1 Amb27251384 [0,1,0,0,0,0|0,0,0]=1 559 B11R1.77 CC(=S)\C=C(\N)c1ccco1 Amb27398070 [0,1,0,0,0,0|0,1,0]=2 560 B11R1.77 CC(C)=CC(=O)C1=CCCO1 Amb27869326 [0,1,0,0,0,0|1,0,2]=4 561 B11R1.77 CC(C)=CC(O)c1cccs1 Amb27776395 [0,1,0,0,0,0|1,1,1]=4 562 B11R1.77 CC(C)CC(=O)c1ccco1 Amb17334321 [0,1,0,0,0,0|1,0,2]=4 563 B11R1.77 CC(C)NC(=S)c1ccco1 Amb27642353 [0,1,0,0,0,0|2,0,1]=4 564 B11R1.77 CC(C)OC(=O)c1ccco1 Amb10572174 [0,1,0,0,0,0|2,0,1]=4 565 B11R1.77 CC(CC(=O)O)c1ccco1 Amb33533316 [0,1,0,0,0,0|1,0,2]=4 566 B11R1.77 CC(Cl)OC(=O)c1ccco1 Amb27478035 [0,1,0,0,0,0|2,0,1]=4 567 B11R1.77 CC(N)CC(=O)c1ccco1 Amb20668936 [0,1,0,0,0,0|1,0,2]=4 568 B11R1.77 CC(N)CC(=O)c1ccco1 Amb22157232 [0,1,0,0,0,0|1,0,2]=4 569 B11R1.77 CC(NC(=O)Cl)c1ccco1 Amb35625513 [0,1,0,0,0,0|2,0,1]=4 570 B11R1.77 CN(C)NC(=O)c1ccco1 Amb25151711 [0,1,0,0,0,0|3,0,0]=4 571 B11R1.77 CS(C)=CC(=O)c1ccco1 Amb27486114 [0,1,0,0,0,0|2,0,0]=3 572 B11R1.77 C[C@@H](N)CC(=O)c1ccco1 Amb33307803 [0,1,0,0,0,0|1,0,2]=4 573 B11R1.77 C\C(=C/C(=O)O)c1ccco1 Amb6749111 [0,1,0,0,0,0|1,0,0]=2 574 B11R1.77 C\C(=C/C(=O)O)c1cccs1 Amb5738383 [0,1,0,0,0,0|1,1,0]=3 575 B11R1.77 C\C(=C/C(=O)O)c1ccsc1 Amb32663912 [0,1,0,0,0,0|3,0,0]=4 576 B11R1.77 C\C(=C\C(=O)O)c1ccco1 Amb24668653 [0,1,0,0,0,0|1,0,0]=2 577 B11R1.77 C\C(=C\C(=O)O)c1ccoc1 Amb28050877 [0,1,0,0,0,0|3,0,0]=4 578 B11R1.77 C\C(=C\C(=O)O)c1ccsc1 Amb18284471 [0,1,0,0,0,0|3,0,0]=4 579 B11R1.77 C\C(=C\C(C)O)c1cccs1 Amb27443410 [0,1,0,0,0,0|0,1,2]=4 580 B11R1.77 C\C(=N\N(C)C)c1ccco1 Amb28123008 [0,1,0,0,0,0|3,0,0]=4 581 B11R1.77 C\C(=N\S(C)=O)c1ccco1 Amb29858771 [0,1,0,0,0,0|2,0,0]=3 582 B11R1.77 C\C(=N\S(C)=O)c1cccs1 Amb35681703 [0,1,0,0,0,0|2,1,0]=4 583 B11R1.77 NC(=O)CC(N)c1ccco1 Amb7800615 [0,1,0,0,0,0|1,0,2]=4 584 B11R1.77 NC(=O)C[C@@H](N)c1ccco1 Amb18179504 [0,1,0,0,0,0|1,0,2]=4 585 B11R1.77 NC(=O)C[C@H](N)c1ccco1 Amb25702198 [0,1,0,0,0,0|1,0,2]=4 586 B11R1.77 NC(=O)\C=C(/O)c1ccco1 Amb27441744 [0,1,0,0,0,0|1,0,0]=2 587 B11R1.77 NC(=O)\C=C(\O)c1cccs1 Amb27962881 [0,1,0,0,0,0|1,1,0]=3 588 B11R1.77 NC(=O)\C=C(\O)c1ccoc1 Amb27202324 [0,1,0,0,0,0|3,0,0]=4 589 B11R1.77 NC(=S)NC(=O)c1ccco1 Amb27477957 [0,1,0,0,0,0|2,1,0]=4 590 B11R1.77 NC(CC(=O)O)c1ccco1 Amb2583027 [0,1,0,0,0,0|1,0,2]=4 591 B11R1.77 NC(CC(=O)O)c1ccco1 Amb33295176 [0,1,0,0,0,0|1,0,2]=4 592 B11R1.77 N[C@@H](CC(=O)O)c1ccco1 Amb18179572 [0,1,0,0,0,0|1,0,2]=4 593 B11R1.77 N[C@H](CC(=O)O)c1ccco1 Amb25319193 [0,1,0,0,0,0|1,0,2]=4 594 B11R1.77 O=C(NC(=S)S)c1ccco1 Amb27873321 [0,1,0,0,0,0|2,1,0]=4 595 B11R1.77 O=C(O)CC(=O)c1ccco1 Amb18125632 [0,1,0,0,0,0|1,0,1]=3 596 B11R1.77 O=C(O)CC(O)c1ccco1 Amb17232169 [0,1,0,0,0,0|1,0,2]=4 597 B11R1.77 O=C(O)C[C@@H](O)c1ccco1 Amb33360966 [0,1,0,0,0,0|1,0,2]=4 598 B11R1.77 O=C(O)C[C@H](O)c1ccco1 Amb33360969 [0,1,0,0,0,0|1,0,2]=4 599 B11R1.77 O=C(O)\C=C(\Cl)c1cccs1 Amb27985827 [0,1,0,0,0,0|1,1,0]=3 600 B11R1.77 O=C(O)\C=C(\Cl)c1ccsc1 Amb27657300 [0,1,0,0,0,0|3,0,0]=4 601 B11R1.90 CC(=N)NCc1occc1C Amb27840027 [0,1,0,0,0,0|2,0,1]=4 602 B11R1.90 CC(=O)C#Cc1cccn1C Amb25151535 [0,1,0,0,0,0|1,0,2]=4 603 B11R1.90 CC(=O)CCc1cccn1C Amb26038750 [0,1,0,0,0,0|1,0,2]=4 604 B11R1.90 CC(=O)CCc1occc1C Amb26853347 [0,1,0,0,0,0|0,0,2]=3 605 B11R1.90 CC(=O)CCc1sccc1Br Amb25329410 [0,1,0,0,0,0|0,1,2]=4 606 B11R1.90 CC(=O)CCc1sccc1C Amb26320137 [0,1,0,0,0,0|0,1,2]=4 607 B11R1.90 CC(=O)CCc1sccc1Cl Amb25692710 [0,1,0,0,0,0|0,1,2]=4 608 B11R1.90 CC(=O)NCc1cccn1C Amb27784913 [0,1,0,0,0,0|2,0,1]=4 609 B11R1.90 CC(=O)NCc1cccn1O Amb27186784 [0,1,0,0,0,0|2,0,1]=4 610 B11R1.90 CC(=O)NCc1sccc1C Amb27647871 [0,1,0,0,0,0|1,1,1]=4 611 B11R1.90 CC(=O)N\N=C1\OC=CN1C Amb27790414 [0,1,0,0,0,0|3,0,0]=4 612 B11R1.90 CC(=O)OCc1cccn1C Amb28319861 [0,1,0,0,0,0|2,0,1]=4 613 B11R1.90 CC(=O)OCc1occc1C Amb27272698 [0,1,0,0,0,0|1,0,1]=3 614 B11R1.90 CC(=O)SCc1cccn1C Amb27215415 [0,1,0,0,0,0|2,0,1]=4 615 B11R1.90 CC(=O)\C=C\c1cccn1C Amb33079842 [0,1,0,0,0,0|1,0,0]=2 616 B11R1.90 CC(=O)\C=C\c1ccnn1C Amb25326986 [0,1,0,0,0,0|2,0,0]=3 617 B11R1.90 CC(=O)\C=C\c1ccoc1C Amb33445886 [0,1,0,0,0,0|2,0,0]=3 618 B11R1.90 CC(=O)\C=C\c1cncn1C Amb33359224 [0,1,0,0,0,0|2,0,0]=3 619 B11R1.90 CC(=O)\C=C\c1cnnn1C Amb27848354 [0,1,0,0,0,0|3,0,0]=4 620 B11R1.90 CC(=O)\C=C\c1cnoc1C Amb33361146 [0,1,0,0,0,0|3,0,0]=4 621 B11R1.90 CC(=O)\C=C\c1cscc1C Amb33145217 [0,1,0,0,0,0|2,0,0]=3 622 B11R1.90 CC(=O)\C=C\c1nccn1C Amb33360388 [0,1,0,0,0,0|2,0,0]=3 623 B11R1.90 CC(=O)\C=C\c1occc1C Amb33358518 [0,1,0,0,0,0|0,0,0]=1 624 B11R1.90 CC(=O)\C=C\c1sccc1Br Amb27176258 [0,1,0,0,0,0|0,1,0]=2 625 B11R1.90 CC(=O)\C=C\c1sccc1C Amb33448507 [0,1,0,0,0,0|0,1,0]=2 626 B11R1.90 CC(=O)\C=C\c1sccc1Cl Amb33259263 [0,1,0,0,0,0|0,1,0]=2 627 B11R1.90 CC(=O)\C=C\c1scnc1C Amb33172563 [0,1,0,0,0,0|1,1,0]=3 628 B11R1.90 CC(=O)\C=C\n1ccnc1C Amb24625711 [0,1,0,0,0,0|3,0,0]=4 629 B11R1.90 CC(Br)\C=C\c1sccc1Cl Amb27877980 [0,1,0,0,0,0|1,1,1]=4 630 B11R1.90 CC(C)=C\C=C1/SC=CC1=O Amb5719927 [0,1,0,0,0,0|1,1,0]=3 631 B11R1.90 CC(Cl)\C=C\c1sccc1Br Amb27170430 [0,1,0,0,0,0|1,1,1]=4 632 B11R1.90 CC(N)\C=C\c1cccn1C Amb33361305 [0,1,0,0,0,0|2,0,1]=4 633 B11R1.90 CC(N)\C=C\c1occc1Br Amb28070225 [0,1,0,0,0,0|1,0,1]=3 634 B11R1.90 CC(N)\C=C\c1sccc1Br Amb33242848 [0,1,0,0,0,0|1,1,1]=4 635 B11R1.90 CC(N)\C=C\c1sccc1Cl Amb33259260 [0,1,0,0,0,0|1,1,1]=4 636 B11R1.90 CC(O)\C=C\c1cccn1C Amb27823675 [0,1,0,0,0,0|1,0,2]=4 637 B11R1.90 CS(=O)\N=C\c1occc1Br Amb29865962 [0,1,0,0,0,0|2,0,0]=3 638 B11R1.90 CS(=O)\N=C\c1sccc1Br Amb35692842 [0,1,0,0,0,0|2,1,0]=4 639 B11R1.90 CS(=O)\N=C\c1sccc1Cl Amb35692867 [0,1,0,0,0,0|2,1,0]=4 640 B11R1.90 Cc1ccoc1CCC(=O)O Amb18200842 [0,1,0,0,0,0|1,0,2]=4 641 B11R1.90 Cc1ccoc1CNC(=O)Cl Amb35625874 [0,1,0,0,0,0|2,0,1]=4 642 B11R1.90 Cc1ccoc1OCC(=O)O Amb33342797 [0,1,0,0,0,0|2,0,1]=4 643 B11R1.90 Cc1ccoc1\C=C\C(=O)O Amb28456772 [0,1,0,0,0,0|1,0,0]=2 644 B11R1.90 Cc1ccoc1\C=C\C(C)N Amb33359753 [0,1,0,0,0,0|1,0,1]=3 645 B11R1.90 Cc1ccoc1\C=C\C(C)O Amb28284828 [0,1,0,0,0,0|0,0,2]=3 646 B11R1.90 Cc1ccoc1\C=C\[N+](=O)[O-] Amb33079958 [0,1,0,0,0,0|2,0,0]=3 647 B11R1.90 Cc1ccoc1\C=N\S(C)=O Amb29865965 [0,1,0,0,0,0|2,0,0]=3 648 B11R1.90 Cc1ccsc1\C=C/C(N)=O Amb27203317 [0,1,0,0,0,0|1,1,0]=3 649 B11R1.90 Cc1ccsc1\C=C\C(=O)O Amb1153084 [0,1,0,0,0,0|1,1,0]=3 650 B11R1.90 Cc1ccsc1\C=C\C(C)Cl Amb28350453 [0,1,0,0,0,0|1,1,1]=4 651 B11R1.90 Cc1ccsc1\C=C\C(C)N Amb33171643 [0,1,0,0,0,0|1,1,1]=4 652 B11R1.90 Cc1ccsc1\C=C\[N+](=O)[O-] Amb27975166 [0,1,0,0,0,0|2,1,0]=4 653 B11R1.90 Cc1ccsc1\C=N\S(C)=O Amb29858762 [0,1,0,0,0,0|2,1,0]=4 654 B11R1.90 Cc1cnoc1\C=C\C(=O)O Amb28130063 [0,1,0,0,0,0|2,0,0]=3 655 B11R1.90 Cc1cocc1\C=C\C(=O)O Amb24617450 [0,1,0,0,0,0|3,0,0]=4 656 B11R1.90 Cc1conc1\C=C\C(=O)O Amb33470110 [0,1,0,0,0,0|3,0,0]=4 657 B11R1.90 Cc1cscc1\C=C\C(=O)O Amb26421314 [0,1,0,0,0,0|3,0,0]=4 658 B11R1.90 Cc1ncsc1\C=C\C(=O)O Amb33292464 [0,1,0,0,0,0|2,1,0]=4 659 B11R1.90 Cc1ncsc1\C=C\C(N)=O Amb25964597 [0,1,0,0,0,0|2,1,0]=4 660 B11R1.90 Cc1occc1\C=C\C(=O)O Amb33171665 [0,1,0,0,0,0|3,0,0]=4 661 B11R1.90 Cn1cccc1\C=C/[N+](=O)[O-] Amb24309345 [0,1,0,0,0,0|3,0,0]=4 662 B11R1.90 Cn1cccc1\C=C\C(=O)O Amb2371137 [0,1,0,0,0,0|2,0,0]=3 663 B11R1.90 Cn1cccc1\C=C\N(=O)=O Amb20621706 [0,1,0,0,0,0|3,0,0]=4 664 B11R1.90 Cn1cccc1\C=C\[N+](=O)[O-] Amb33249588 [0,1,0,0,0,0|3,0,0]=4 665 B11R1.90 Cn1cccc1\C=N\S(C)=O Amb35684960 [0,1,0,0,0,0|3,0,0]=4 666 B11R1.90 Cn1ccnc1\C=C/C(=O)O Amb27470158 [0,1,0,0,0,0|3,0,0]=4 667 B11R1.90 Cn1ccnc1\C=C\C(=O)O Amb33171846 [0,1,0,0,0,0|3,0,0]=4 668 B11R1.90 Cn1cncc1\C=C/C(N)=O Amb27252026 [0,1,0,0,0,0|3,0,0]=4 669 B11R1.90 Cn1cncc1\C=C\C(=O)O Amb32663974 [0,1,0,0,0,0|3,0,0]=4 670 B11R1.90 Cn1cncc1\C=C\C(=O)O Amb33276186 [0,1,0,0,0,0|3,0,0]=4 671 B11R1.90 Cn1cncc1\C=C\C(N)=O Amb27843447 [0,1,0,0,0,0|3,0,0]=4 672 B11R1.90 Cn1nccc1\C=C\C(=O)O Amb6889931 [0,1,0,0,0,0|3,0,0]=4 673 B11R1.90 O=C(O)C#Cc1occc1Br Amb27605486 [0,1,0,0,0,0|1,0,2]=4 674 B11R1.90 O=C(O)CCc1occc1F Amb27823334 [0,1,0,0,0,0|1,0,2]=4 675 B11R1.90 O=C(O)\C=C\c1ccoc1Br Amb33470062 [0,1,0,0,0,0|3,0,0]=4 676 B11R1.90 O=C(O)\C=C\c1ccoc1Cl Amb33470060 [0,1,0,0,0,0|3,0,0]=4 677 B11R1.90 O=C(O)\C=C\c1ccsc1Br Amb33470113 [0,1,0,0,0,0|3,0,0]=4 678 B11R1.90 O=C(O)\C=C\c1cscc1Br Amb25075327 [0,1,0,0,0,0|3,0,0]=4 679 B11R1.90 O=C(O)\C=C\c1cscc1Cl Amb25700973 [0,1,0,0,0,0|3,0,0]=4 680 B11R1.90 O=C(O)\C=C\c1nccn1O Amb27751831 [0,1,0,0,0,0|3,0,0]=4 681 B11R1.90 O=C(O)\C=C\c1ncsc1Br Amb33470114 [0,1,0,0,0,0|3,0,0]=4 682 B11R1.90 O=C(O)\C=C\c1nscc1Br Amb33470111 [0,1,0,0,0,0|3,0,0]=4 683 B11R1.90 O=C(O)\C=C\c1sccc1Br Amb26004966 [0,1,0,0,0,0|1,1,0]=3 684 B11R1.90 O=C(O)\C=C\c1sccc1Cl Amb24100812 [0,1,0,0,0,0|1,1,0]=3 685 B11R1.90 O=C(O)\C=C\c1sccc1F Amb33470058 [0,1,0,0,0,0|1,1,0]=3 686 B11R1.90 O=C(O)\C=C\c1sccc1I Amb33470064 [0,1,0,0,0,0|1,1,0]=3 687 B11R1.90 O=C(O)\C=C\c1sncc1Br Amb33470128 [0,1,0,0,0,0|2,1,0]=4 688 B11R1.90 O=[N+]([O-])\C=C\c1sccc1Br Amb33452091 [0,1,0,0,0,0|2,1,0]=4 689 B11R1.90 O=[N+]([O-])\C=C\c1sccc1Cl Amb33258827 [0,1,0,0,0,0|2,1,0]=4 690 B11R1.510 CS(=N)(=O)NCc1ccco1 Amb29867234 [0,1,0,0,0,0|2,0,1]=4 691 B11R1.510 CS(=O)(=O)NCc1ccco1 Amb3357688 [0,1,0,0,0,0|2,0,1]=4 692 B11R1.510 CS(=O)(=O)OCc1ccco1 Amb27466321 [0,1,0,0,0,0|2,0,1]=4 693 B11R1.510 O=S(=O)(F)\C=C\c1ccco1 Amb33276659 [0,1,0,0,0,0|2,0,0]=3 694 B11R1.510 O=S(=O)(F)\C=C\c1cccs1 Amb33456402 [0,1,0,0,0,0|2,1,0]=4 695 B9R0.2 C=C=CCN\C=C\C(C)=O Amb27256023 [0,0,1,0,0,0|2,0,1]=4 696 B9R0.2 C=CCCC\C=C\C(C)=O Amb27628550 [0,0,1,0,0,0|1,0,2]=4 697 B9R0.2 C=C\C=C\C=C\CC(C)=O Amb27823042 [0,0,1,0,0,0|1,0,1]=3 698 B9R0.2 CC(=O)N\C=C\C=C\C=O Amb27881539 [0,0,1,0,0,0|1,0,1]=3 699 B9R0.2 CC(=O)O\C=C\C=C\CO Amb28453851 [0,0,1,0,0,0|1,0,1]=3 700 B9R0.2 CC(=O)\C=C\C=C/C=C=O Amb27839053 [0,0,1,0,0,0|0,0,2]=3 701 B9R0.2 CC(=O)\C=C\C=C\C=C=O Amb27878921 [0,0,1,0,0,0|0,0,2]=3 702 B9R0.2 CC(=O)\C=C\C=C\C=C\Cl Amb28125315 [0,0,1,0,0,0|1,0,0]=2 703 B9R0.2 CC(C)=C\C=C\C=C\C=O Amb28287071 [0,0,1,0,0,0|1,0,1]=3 704 B9R0.2 CC(O)\C=C\C=C\C=C/Cl Amb27831389 [0,0,1,0,0,0|1,0,2]=4 705 B9R0.2 CCC\C=C/C=C/C(C)=O Amb28291455 [0,0,1,0,0,0|1,0,2]=4 706 B9R0.2 CCC\C=C\C=C\C(C)=O Amb33079035 [0,0,1,0,0,0|1,0,2]=4 707 B9R0.2 CC\C=C\C\C=C\C(C)=O Amb27226161 [0,0,1,0,0,0|1,0,2]=4 708 B9R0.2 C\C=C\C=C\C=C\C(=O)O Amb3987814 [0,0,1,0,0,0|2,0,0]=3 709 B9R0.2 C\C=C\C=C\C=C\C(N)=O Amb27202742 [0,0,1,0,0,0|2,0,0]=3 710 B9R0.2 C\C=C\C=C\CNC(C)=O Amb27827731 [0,0,1,0,0,0|2,0,1]=4 711 B9R0.2 C\C=C\C=C\COC(C)=O Amb4035104 [0,0,1,0,0,0|2,0,1]=4 712 B9R0.43 C=CC(C=C)=CCC(=O)O Amb28050147 [0,0,1,0,0,0|2,0,1]=4 713 B9R0.48 C=CCC(O)\C=C\C(=O)O Amb27620632 [0,0,1,0,0,0|1,0,2]=4 714 B9R0.48 C=COC(=O)\C=C/C(=O)O Amb28341819 [0,0,1,0,0,0|2,0,0]=3 715 B9R0.48 C=COC(=O)\C=C/C(N)=O Amb27164316 [0,0,1,0,0,0|2,0,0]=3 716 B9R0.48 CC(=C\C=O)\C=C\C(=O)O Amb27210491 [0,0,1,0,0,0|3,0,0]=4 717 B9R0.48 CC(=O)\C=C\C(C)=C\C=O Amb27445134 [0,0,1,0,0,0|2,0,0]=3 718 B9R0.48 CC(\C=C\C(=O)O)=C/C=O Amb27215348 [0,0,1,0,0,0|3,0,0]=4 719 B9R0.48 CCOC(=O)\C=C\C(C)=O Amb3428594 [0,0,1,0,0,0|1,0,2]=4 720 B9R0.48 CC\C=C(C)/C=C/C(C)=O Amb27861011 [0,0,1,0,0,0|1,0,2]=4 721 B9R0.48 C\C=C/C(C)\C=C\C(C)=O Amb27434173 [0,0,1,0,0,0|1,0,2]=4 722 B9R0.48 NC(\C=C/C(=O)O)=C\C=O Amb27450259 [0,0,1,0,0,0|3,0,0]=4 723 B11R2.11 O=C1CC(c2ccco2)N1 Amb27230866 [0,0,0,1,0,0|1,0,1]=3 724 B11R2.11 O=C1CC(c2cccs2)N1 Amb25185121 [0,0,0,1,0,0|1,1,1]=4 725 B11R2.11 O=C1C[C@H](c2cccs2)N1 Amb28397156 [0,0,0,1,0,0|1,1,1]=4 726 B11R2.36 BrC1=CC=C2NC=CN2C1 Amb27232937 [0,0,0,1,0,0|3,0,0]=4 727 B11R2.36 Brc1ccc2c(c1)C=CC2 Amb2383763 [0,0,0,1,0,0|2,0,1]=4 728 B11R2.36 Brc1ccc2cccn2c1 Amb26991571 [0,0,0,1,0,0|2,0,1]=4 729 B11R2.36 Brc1ccc2occc2c1 Amb2694966 [0,0,0,1,0,0|1,0,1]=3 730 B11R2.36 Brc1ccc2occc2n1 Amb18187816 [0,0,0,1,0,0|2,0,0]=3 731 B11R2.36 Brc1ccc2ocnc2c1 Amb3941364 [0,0,0,1,0,0|2,0,1]=4 732 B11R2.36 Brc1ccc2ocnc2n1 Amb25782928 [0,0,0,1,0,0|3,0,0]=4 733 B11R2.36 Brc1ccc2oncc2c1 Amb19957546 [0,0,0,1,0,0|2,0,1]=4 734 B11R2.36 Brc1ccc2sccc2c1 Amb2447430 [0,0,0,1,0,0|1,1,1]=4 735 B11R2.36 Brc1ccc2sccc2n1 Amb18769649 [0,0,0,1,0,0|2,1,0]=4 736 B11R2.36 Brc1cnc2occc2c1 Amb4560959 [0,0,0,1,0,0|2,0,1]=4 737 B11R2.36 Cc1ccc2[se]ccc2n1 Amb2611593 [0,0,0,1,0,0|1,1,0]=3 738 B11R2.36 Cc1ccc2c(c1)C=CC2 Amb24062964 [0,0,0,1,0,0|2,0,0]=3 739 B11R2.36 Cc1ccc2c(c1)CC=C2 Amb28204212 [0,0,0,1,0,0|2,0,1]=4 740 B11R2.36 Cc1ccc2c(c1)CCO2 Amb2447310 [0,0,0,1,0,0|1,0,2]=4 741 B11R2.36 Cc1ccc2c(c1)OCO2 Amb2721033 [0,0,0,1,0,0|2,0,1]=4 742 B11R2.36 Cc1ccc2cccn2c1 Amb22490217 [0,0,0,1,0,0|2,0,0]=3 743 B11R2.36 Cc1ccc2ccnn2c1 Amb26516522 [0,0,0,1,0,0|3,0,0]=4 744 B11R2.36 Cc1ccc2ccoc2c1 Amb22039412 [0,0,0,1,0,0|3,0,0]=4 745 B11R2.36 Cc1ccc2ccsc2c1 Amb10603775 [0,0,0,1,0,0|3,0,0]=4 746 B11R2.36 Cc1ccc2cncn2c1 Amb24360913 [0,0,0,1,0,0|3,0,0]=4 747 B11R2.36 Cc1ccc2nccn2c1 Amb22263183 [0,0,0,1,0,0|3,0,0]=4 748 B11R2.36 Cc1ccc2nccn2c1 Amb3650086 [0,0,0,1,0,0|3,0,0]=4 749 B11R2.36 Cc1ccc2ncoc2c1 Amb6875051 [0,0,0,1,0,0|3,0,0]=4 750 B11R2.36 Cc1ccc2ncoc2n1 Amb18100542 [0,0,0,1,0,0|3,0,0]=4 751 B11R2.36 Cc1ccc2ncsc2c1 Amb10568670 [0,0,0,1,0,0|3,0,0]=4 752 B11R2.36 Cc1ccc2nocc2c1 Amb28124034 [0,0,0,1,0,0|3,0,0]=4 753 B11R2.36 Cc1ccc2nscc2c1 Amb27160735 [0,0,0,1,0,0|3,0,0]=4 754 B11R2.36 Cc1ccc2occc2c1 Amb22751743 [0,0,0,1,0,0|1,0,0]=2 755 B11R2.36 Cc1ccc2occc2n1 Amb26844414 [0,0,0,1,0,0|1,0,0]=2 756 B11R2.36 Cc1ccc2ocnc2c1 Amb2433105 [0,0,0,1,0,0|2,0,0]=3 757 B11R2.36 Cc1ccc2ocnc2n1 Amb27641147 [0,0,0,1,0,0|2,0,0]=3 758 B11R2.36 Cc1ccc2oncc2c1 Amb27975667 [0,0,0,1,0,0|2,0,0]=3 759 B11R2.36 Cc1ccc2sccc2c1 Amb2689331 [0,0,0,1,0,0|1,1,0]=3 760 B11R2.36 Cc1ccn2cccc2c1 Amb24670240 [0,0,0,1,0,0|3,0,0]=4 761 B11R2.36 Cc1ccn2nccc2c1 Amb26586340 [0,0,0,1,0,0|3,0,0]=4 762 B11R2.36 Cc1ccn2nccc2n1 Amb13889309 [0,0,0,1,0,0|3,0,0]=4 763 B11R2.36 Cc1cnc2occc2c1 Amb23403003 [0,0,0,1,0,0|2,0,0]=3 764 B11R2.36 Cc1cnc2ocnc2c1 Amb18100532 [0,0,0,1,0,0|3,0,0]=4 765 B11R2.36 Clc1cc2ccoc2cn1 Amb27756425 [0,0,0,1,0,0|2,0,1]=4 766 B11R2.36 Clc1ccc2c(c1)C=CC2 Amb2383761 [0,0,0,1,0,0|2,0,1]=4 767 B11R2.36 Clc1ccc2occc2c1 Amb20248132 [0,0,0,1,0,0|1,0,1]=3 768 B11R2.36 Clc1ccc2occc2n1 Amb21864771 [0,0,0,1,0,0|2,0,0]=3 769 B11R2.36 Clc1ccc2ocnc2c1 Amb2747117 [0,0,0,1,0,0|2,0,1]=4 770 B11R2.36 Clc1ccc2ocnc2n1 Amb27958509 [0,0,0,1,0,0|3,0,0]=4 771 B11R2.36 Clc1ccc2oncc2c1 Amb22495862 [0,0,0,1,0,0|2,0,1]=4 772 B11R2.36 Clc1ccc2sccc2c1 Amb8629060 [0,0,0,1,0,0|1,1,1]=4 773 B11R2.36 Clc1ccc2sccc2n1 Amb21962456 [0,0,0,1,0,0|2,1,0]=4 774 B11R2.36 Clc1cnc2occc2c1 Amb25256318 [0,0,0,1,0,0|2,0,1]=4 775 B11R2.36 Clc1ncc2occc2n1 Amb23402944 [0,0,0,1,0,0|3,0,0]=4 776 B11R2.36 Fc1ccc2c(c1)C=CC2 Amb2383762 [0,0,0,1,0,0|2,0,1]=4 777 B11R2.36 Fc1ccc2occc2c1 Amb20241175 [0,0,0,1,0,0|1,0,1]=3 778 B11R2.36 Fc1ccc2ocnc2c1 Amb10841895 [0,0,0,1,0,0|2,0,1]=4 779 B11R2.36 Fc1ccc2oncc2c1 Amb22495874 [0,0,0,1,0,0|2,0,1]=4 780 B11R2.36 Fc1ccc2sccc2c1 Amb19958720 [0,0,0,1,0,0|1,1,1]=4 781 B11R2.36 Ic1ccc2c(c1)C=CC2 Amb25313198 [0,0,0,1,0,0|2,0,1]=4 782 B11R2.36 Ic1ccc2occc2c1 Amb23401832 [0,0,0,1,0,0|1,0,1]=3 783 B11R2.36 Ic1ccc2occc2n1 Amb24760836 [0,0,0,1,0,0|2,0,0]=3 784 B11R2.36 Ic1ccc2ocnc2c1 Amb22737648 [0,0,0,1,0,0|2,0,1]=4 785 B11R2.36 Ic1ccc2oncc2c1 Amb24392287 [0,0,0,1,0,0|2,0,1]=4 786 B11R2.36 Ic1ccc2sccc2c1 Amb24062930 [0,0,0,1,0,0|1,1,1]=4 787 B11R2.36 Nc1ccc2occc2c1 Amb2425577 [0,0,0,1,0,0|1,0,1]=3 788 B11R2.36 Nc1ccc2occc2n1 Amb24445845 [0,0,0,1,0,0|2,0,0]=3 789 B11R2.36 Nc1ccc2ocnc2c1 Amb2433112 [0,0,0,1,0,0|2,0,1]=4 790 B11R2.36 Nc1ccc2ocnc2n1 Amb27812068 [0,0,0,1,0,0|3,0,0]=4 791 B11R2.36 Nc1ccc2oncc2c1 Amb21927333 [0,0,0,1,0,0|2,0,1]=4 792 B11R2.36 Nc1ccc2oncc2n1 Amb18203126 [0,0,0,1,0,0|3,0,0]=4 793 B11R2.36 Nc1ccc2sccc2c1 Amb33526381 [0,0,0,1,0,0|1,1,1]=4 794 B11R2.36 Nc1ccc2sccc2c1 Amb482302 [0,0,0,1,0,0|1,1,1]=4 795 B11R2.36 Nc1cnc2occc2c1 Amb22496271 [0,0,0,1,0,0|2,0,1]=4 796 B11R2.36 O=C1C=CN2NC=CC2=C1 Amb25764723 [0,0,0,1,0,0|2,0,1]=4 797 B11R2.36 O=C1C=Cc2ccsc2N1 Amb24417184 [0,0,0,1,0,0|3,0,0]=4 798 B11R2.36 O=C1C=Cc2nccn2N1 Amb22388527 [0,0,0,1,0,0|3,0,0]=4 799 B11R2.36 O=C1C=Cc2nocc2C1 Amb27962578 [0,0,0,1,0,0|2,0,0]=3 800 B11R2.36 O=C1C=Cc2sccc2N1 Amb28206306 [0,0,0,1,0,0|1,1,0]=3 801 B11R2.36 O=C1C=Cn2nccc2N1 Amb21927423 [0,0,0,1,0,0|3,0,0]=4 802 B11R2.36 O=C1CCc2sccc2C1 Amb28288918 [0,0,0,1,0,0|0,1,2]=4 803 B11R2.36 O=c1ccc2ccsc2o1 Amb5720014 [0,0,0,1,0,0|3,0,0]=4 804 B11R2.36 O=c1ccc2sccc2o1 Amb5719894 [0,0,0,1,0,0|1,1,0]=3 805 B11R2.36 Oc1ccc2c(c1)C=CC2 Amb18124353 [0,0,0,1,0,0|1,0,2]=4 806 B11R2.36 Oc1ccc2occc2c1 Amb16185813 [0,0,0,1,0,0|0,0,2]=3 807 B11R2.36 Oc1ccc2ocnc2c1 Amb17479110 [0,0,0,1,0,0|1,0,2]=4 808 B11R2.36 Oc1ccc2oncc2c1 Amb23403626 [0,0,0,1,0,0|1,0,2]=4 809 B11R2.36 Oc1ccc2sccc2c1 Amb18644430 [0,0,0,1,0,0|0,1,2]=4 810 B11R2.36 Sc1ccc2occc2c1 Amb24089279 [0,0,0,1,0,0|0,1,1]=3 811 B9R1.13 BrC(Br)=Cc1ccco1 Amb22228062 [0,0,0,0,1,0|2,0,0]=3 812 B9R1.13 BrC(Br)=Cc1cccs1 Amb26079369 [0,0,0,0,1,0|2,1,0]=4 813 B9R1.13 C=C(Br)Cc1ccco1 Amb24411253 [0,0,0,0,1,0|1,0,2]=4 814 B9R1.13 C=C(C)Cc1ccco1 Amb24673621 [0,0,0,0,1,0|1,0,1]=3 815 B9R1.13 C=C(C)Cc1cccs1 Amb27413817 [0,0,0,0,1,0|1,1,1]=4 816 B9R1.13 C=C(Cl)Cc1ccco1 Amb27881309 [0,0,0,0,1,0|1,0,2]=4 817 B9R1.13 CC(=O)CC1C=CCO1 Amb28251003 [0,0,0,0,1,0|0,0,3]=4 818 B9R1.13 CC(=O)C[C@@H]1C=CCO1 Amb28193210 [0,0,0,0,1,0|0,0,3]=4 819 B9R1.13 CC(=O)Cc1ccco1 Amb5751052 [0,0,0,0,1,0|0,0,1]=2 820 B9R1.13 CC(=O)Cc1cccs1 Amb3429447 [0,0,0,0,1,0|0,1,1]=3 821 B9R1.13 CC(=O)Cc1ccno1 Amb24425365 [0,0,0,0,1,0|1,0,1]=3 822 B9R1.13 CC(=O)Cc1ccns1 Amb35651562 [0,0,0,0,1,0|1,1,1]=4 823 B9R1.13 CC(=O)Cc1ccoc1 Amb25713513 [0,0,0,0,1,0|2,0,1]=4 824 B9R1.13 CC(=O)Cc1ccon1 Amb33080144 [0,0,0,0,1,0|2,0,1]=4 825 B9R1.13 CC(=O)Cc1ccsc1 Amb6744886 [0,0,0,0,1,0|2,0,1]=4 826 B9R1.13 CC(=O)Cc1cnco1 Amb33416893 [0,0,0,0,1,0|1,0,1]=3 827 B9R1.13 CC(=O)Cc1cncs1 Amb25887376 [0,0,0,0,1,0|1,1,1]=4 828 B9R1.13 CC(=O)Cc1cscn1 Amb26967074 [0,0,0,0,1,0|2,0,1]=4 829 B9R1.13 CC(=O)Cc1nccs1 Amb6297701 [0,0,0,0,1,0|1,1,1]=4 830 B9R1.13 CC(=O)Cc1nnco1 Amb27838736 [0,0,0,0,1,0|2,0,1]=4 831 B9R1.13 CC(=O)Cn1cccn1 Amb1092543 [0,0,0,0,1,0|2,0,1]=4 832 B9R1.13 CC(=O)Cn1cccn1 Amb21988437 [0,0,0,0,1,0|2,0,1]=4 833 B9R1.13 CC(=O)Nc1ccco1 Amb2611741 [0,0,0,0,1,0|1,0,0]=2 834 B9R1.13 CC(=O)Nc1cccs1 Amb2228309 [0,0,0,0,1,0|1,1,0]=3 835 B9R1.13 CC(=O)Nc1ccon1 Amb25868303 [0,0,0,0,1,0|3,0,0]=4 836 B9R1.13 CC(=O)Nc1ccsc1 Amb4036279 [0,0,0,0,1,0|3,0,0]=4 837 B9R1.13 CC(=O)Nc1cscn1 Amb6298641 [0,0,0,0,1,0|3,0,0]=4 838 B9R1.13 CC(=O)Nc1ncco1 Amb27614332 [0,0,0,0,1,0|2,0,0]=3 839 B9R1.13 CC(=O)Nc1nccs1 Amb6336321 [0,0,0,0,1,0|2,1,0]=4 840 B9R1.13 CC(=O)Oc1ccco1 Amb27614492 [0,0,0,0,1,0|1,0,0]=2 841 B9R1.13 CC(=O)Oc1ccsc1 Amb28138065 [0,0,0,0,1,0|3,0,0]=4 842 B9R1.13 CC(=O)On1cccc1 Amb28366433 [0,0,0,0,1,0|3,0,0]=4 843 B9R1.13 CC(=O)Sc1ccsc1 Amb24727644 [0,0,0,0,1,0|3,0,0]=4 844 B9R1.13 CC(=O)\C=C1/C=CCO1 Amb27186200 [0,0,0,0,1,0|0,0,1]=2 845 B9R1.13 CC(=O)\C=C1/NCCO1 Amb26893283 [0,0,0,0,1,0|1,0,2]=4 846 B9R1.13 CC(=O)\C=C1\CC=CO1 Amb28326023 [0,0,0,0,1,0|0,0,1]=2 847 B9R1.13 CC(=O)\C=C1\CCCO1 Amb25241353 [0,0,0,0,1,0|0,0,3]=4 848 B9R1.13 CC(Br)Cc1ccco1 Amb25074648 [0,0,0,0,1,0|1,0,2]=4 849 B9R1.13 CC(C)=Cn1cccc1 Amb27267470 [0,0,0,0,1,0|3,0,0]=4 850 B9R1.13 CC(C)Cc1ccco1 Amb2592659 [0,0,0,0,1,0|1,0,2]=4 851 B9R1.13 CC(C)Oc1ccco1 Amb27451310 [0,0,0,0,1,0|2,0,1]=4 852 B9R1.13 CC(C)Sc1ccco1 Amb28255929 [0,0,0,0,1,0|2,0,1]=4 853 B9R1.13 CC(Cl)Cc1ccco1 Amb27472699 [0,0,0,0,1,0|1,0,2]=4 854 B9R1.13 CC(N)Cc1ccco1 Amb534653 [0,0,0,0,1,0|1,0,2]=4 855 B9R1.13 CC(O)Cc1ccco1 Amb22748663 [0,0,0,0,1,0|0,0,3]=4 856 B9R1.13 CC(S)Cc1ccco1 Amb25132353 [0,0,0,0,1,0|0,1,2]=4 857 B9R1.13 CN(O)Cc1ccco1 Amb33360968 [0,0,0,0,1,0|1,0,2]=4 858 B9R1.13 C[C@@H](N)Cc1ccco1 Amb33360956 [0,0,0,0,1,0|1,0,2]=4 859 B9R1.13 C[C@@H](O)Cc1ccco1 Amb24433279 [0,0,0,0,1,0|0,0,3]=4 860 B9R1.13 C[C@H](N)Cc1ccco1 Amb27831576 [0,0,0,0,1,0|1,0,2]=4 861 B9R1.13 C[C@H](O)Cc1ccco1 Amb28342905 [0,0,0,0,1,0|0,0,3]=4 862 B9R1.13 C\C(N)=C/c1cscn1 Amb27246331 [0,0,0,0,1,0|3,0,0]=4 863 B9R1.13 C\[N+]([O-])=C\c1cccs1 Amb2613451 [0,0,0,0,1,0|1,1,1]=4 864 B9R1.13 F\C(Br)=C\c1ccco1 Amb27847169 [0,0,0,0,1,0|2,0,0]=3 865 B9R1.13 F\C(Br)=C\c1cccs1 Amb28428694 [0,0,0,0,1,0|2,1,0]=4 866 B9R1.13 N=C(N)Cc1ccco1 Amb27834673 [0,0,0,0,1,0|2,0,1]=4 867 B9R1.13 NC(=O)Cc1cccs1 Amb3620365 [0,0,0,0,1,0|1,1,1]=4 868 B9R1.13 NC(=O)Nc1ccco1 Amb27804619 [0,0,0,0,1,0|2,0,0]=3 869 B9R1.13 NC(=O)Nc1cccs1 Amb28248962 [0,0,0,0,1,0|2,1,0]=4 870 B9R1.13 NC(=O)Nc1ncco1 Amb27201421 [0,0,0,0,1,0|3,0,0]=4 871 B9R1.13 NC(=S)Cc1ccco1 Amb27217977 [0,0,0,0,1,0|1,1,1]=4 872 B9R1.13 O=C(Cl)Cc1ccco1 Amb25124003 [0,0,0,0,1,0|1,0,1]=3 873 B9R1.13 O=C(Cl)Cc1cccs1 Amb535730 [0,0,0,0,1,0|1,1,1]=4 874 B9R1.13 O=C(O)CC1=CC=CC1 Amb28370362 [0,0,0,0,1,0|2,0,1]=4 875 B9R1.13 O=C(O)Cc1ccco1 Amb2792725 [0,0,0,0,1,0|1,0,1]=3 876 B9R1.13 O=C(O)Cc1cccs1 Amb6335251 [0,0,0,0,1,0|1,1,1]=4 877 B9R1.13 O=C(O)Cc1ccno1 Amb8009410 [0,0,0,0,1,0|2,0,1]=4 878 B9R1.13 O=C(O)Cc1cnco1 Amb8009409 [0,0,0,0,1,0|2,0,1]=4 879 B9R1.13 O=C(O)Cc1ncco1 Amb8009407 [0,0,0,0,1,0|2,0,1]=4 880 B9R1.13 O=C([O-])Cc1cnco1 Amb33621239 [0,0,0,0,1,0|2,0,1]=4 881 B9R1.13 O=[N+]([O-])Cc1ccco1 Amb28240844 [0,0,0,0,1,0|2,0,1]=4 882 B11R1.91 C=C(C)\C=C\c1ccccc1 Amb22546632 [0,0,0,0,0,1|2,0,0]=3 883 B11R1.91 CC(=O)C#Cc1ccccc1 Amb6336493 [0,0,0,0,0,1|1,0,2]=4 884 B11R1.91 CC(=O)C#Cc1ccccn1 Amb27267519 [0,0,0,0,0,1|1,0,2]=4 885 B11R1.91 CC(=O)C#Cc1cccnc1 Amb26455637 [0,0,0,0,0,1|1,0,2]=4 886 B11R1.91 CC(=O)C#Cc1ccncc1 Amb27249499 [0,0,0,0,0,1|1,0,2]=4 887 B11R1.91 CC(=O)CCc1ccccc1 Amb4605983 [0,0,0,0,0,1|1,0,2]=4 888 B11R1.91 CC(=O)CCc1ccccn1 Amb17507163 [0,0,0,0,0,1|1,0,2]=4 889 B11R1.91 CC(=O)CCc1cccnc1 Amb17507164 [0,0,0,0,0,1|1,0,2]=4 890 B11R1.91 CC(=O)CCc1ccncc1 Amb17507165 [0,0,0,0,0,1|1,0,2]=4 891 B11R1.91 CC(=O)CCc1ccncc1 Amb33329478 [0,0,0,0,0,1|1,0,2]=4 892 B11R1.91 CC(=O)CCc1ccncn1 Amb27399166 [0,0,0,0,0,1|1,0,2]=4 893 B11R1.91 CC(=O)CCc1cnccn1 Amb25307907 [0,0,0,0,0,1|1,0,2]=4 894 B11R1.91 CC(=O)CCc1ncccn1 Amb24726140 [0,0,0,0,0,1|1,0,2]=4 895 B11R1.91 CC(=O)CNc1ccccc1 Amb24447025 [0,0,0,0,0,1|2,0,1]=4 896 B11R1.91 CC(=O)CNc1ccccn1 Amb26542003 [0,0,0,0,0,1|2,0,1]=4 897 B11R1.91 CC(=O)COc1ccccc1 Amb8515312 [0,0,0,0,0,1|2,0,1]=4 898 B11R1.91 CC(=O)COc1ccccn1 Amb26557634 [0,0,0,0,0,1|2,0,1]=4 899 B11R1.91 CC(=O)CSc1ccccc1 Amb3836103 [0,0,0,0,0,1|2,0,1]=4 900 B11R1.91 CC(=O)CSc1ccccn1 Amb9215975 [0,0,0,0,0,1|2,0,1]=4 901 B11R1.91 CC(=O)CSc1cccnc1 Amb28351579 [0,0,0,0,0,1|2,0,1]=4 902 B11R1.91 CC(=O)CSc1ncccn1 Amb9268712 [0,0,0,0,0,1|2,0,1]=4 903 B11R1.91 CC(=O)NCc1ccccc1 Amb1214455 [0,0,0,0,0,1|2,0,1]=4 904 B11R1.91 CC(=O)NCc1ccccn1 Amb3358089 [0,0,0,0,0,1|2,0,1]=4 905 B11R1.91 CC(=O)NCc1ccccn1 Amb6892496 [0,0,0,0,0,1|2,0,1]=4 906 B11R1.91 CC(=O)NCc1cccnn1 Amb26956190 [0,0,0,0,0,1|2,0,1]=4 907 B11R1.91 CC(=O)NCc1ccncc1 Amb2694533 [0,0,0,0,0,1|2,0,1]=4 908 B11R1.91 CC(=O)NNc1ccccc1 Amb4081010 [0,0,0,0,0,1|3,0,0]=4 909 B11R1.91 CC(=O)NNc1ccncn1 Amb27665829 [0,0,0,0,0,1|3,0,0]=4 910 B11R1.91 CC(=O)NNc1ncccn1 Amb25739617 [0,0,0,0,0,1|3,0,0]=4 911 B11R1.91 CC(=O)OCc1ccccc1 Amb8513061 [0,0,0,0,0,1|2,0,1]=4 912 B11R1.91 CC(=O)OCc1ccccn1 Amb9780355 [0,0,0,0,0,1|2,0,1]=4 913 B11R1.91 CC(=O)OCc1cccnc1 Amb8388631 [0,0,0,0,0,1|2,0,1]=4 914 B11R1.91 CC(=O)OCc1ncccn1 Amb22756932 [0,0,0,0,0,1|2,0,1]=4 915 B11R1.91 CC(=O)O[Hg]c1ccccc1 Amb8385173 [0,0,0,0,0,1|3,0,0]=4 916 B11R1.91 CC(=O)SCc1ccccc1 Amb26888160 [0,0,0,0,0,1|2,0,1]=4 917 B11R1.91 CC(=O)\C=C\C1=CCOCC1 Amb25920994 [0,0,0,0,0,1|1,0,2]=4 918 B11R1.91 CC(=O)\C=C\C1=COCCC1 Amb33424238 [0,0,0,0,0,1|0,0,3]=4 919 B11R1.91 CC(=O)\C=C\C1C=CCCC1 Amb25735805 [0,0,0,0,0,1|1,0,2]=4 920 B11R1.91 CC(=O)\C=C\C1CC=CCC1 Amb26936607 [0,0,0,0,0,1|1,0,2]=4 921 B11R1.91 CC(=O)\C=C\C1CCC=CO1 Amb26463190 [0,0,0,0,0,1|0,0,2]=3 922 B11R1.91 CC(=O)\C=C\c1ccccc1 Amb1658842 [0,0,0,0,0,1|1,0,0]=2 923 B11R1.91 CC(=O)\C=C\c1ccccc1 Amb33716963 [0,0,0,0,0,1|1,0,0]=2 924 B11R1.91 CC(=O)\C=C\c1ccccn1 Amb17477755 [0,0,0,0,0,1|1,0,0]=2 925 B11R1.91 CC(=O)\C=C\c1ccccn1 Amb32652097 [0,0,0,0,0,1|1,0,0]=2 926 B11R1.91 CC(=O)\C=C\c1cccnc1 Amb33223775 [0,0,0,0,0,1|1,0,0]=2 927 B11R1.91 CC(=O)\C=C\c1ccncc1 Amb33359225 [0,0,0,0,0,1|1,0,0]=2 928 B11R1.91 CC(=O)\C=C\c1ccncn1 Amb33359235 [0,0,0,0,0,1|1,0,0]=2 929 B11R1.91 CC(=O)\C=C\c1cnccn1 Amb35601036 [0,0,0,0,0,1|1,0,0]=2 930 B11R1.91 CC(=O)\C=C\c1cncnc1 Amb32876838 [0,0,0,0,0,1|2,0,0]=3 931 B11R1.91 CC(=O)\C=C\c1ncccn1 Amb26488880 [0,0,0,0,0,1|1,0,0]=2 932 B11R1.91 CC(=O)\N=N\c1ccccc1 Amb16231119 [0,0,0,0,0,1|3,0,0]=4 933 B11R1.91 CC(Br)\C=C\c1ccccc1 Amb27401147 [0,0,0,0,0,1|2,0,1]=4 934 B11R1.91 CC(Br)\C=C\c1ccncn1 Amb27779552 [0,0,0,0,0,1|2,0,1]=4 935 B11R1.91 CC(Br)\C=C\c1cnccn1 Amb35600913 [0,0,0,0,0,1|2,0,1]=4 936 B11R1.91 CC(C)=CCc1ccccc1 Amb2720924 [0,0,0,0,0,1|2,0,1]=4 937 B11R1.91 CC(C)=COc1ccccc1 Amb28182600 [0,0,0,0,0,1|3,0,0]=4 938 B11R1.91 CC(C)=CSc1ccccc1 Amb27767952 [0,0,0,0,0,1|3,0,0]=4 939 B11R1.91 CC(C)\C=C/c1ccccc1 Amb22546593 [0,0,0,0,0,1|2,0,1]=4 940 B11R1.91 CC(C)\C=C\c1ccccc1 Amb33620440 [0,0,0,0,0,1|2,0,1]=4 941 B11R1.91 CC(Cl)\C=C\c1cccnc1 Amb27881248 [0,0,0,0,0,1|2,0,1]=4 942 B11R1.91 CC(Cl)\C=C\c1ccncc1 Amb27768545 [0,0,0,0,0,1|2,0,1]=4 943 B11R1.91 CC(Cl)\C=C\c1ccncn1 Amb27620250 [0,0,0,0,0,1|2,0,1]=4 944 B11R1.91 CC(Cl)\C=C\c1cnccn1 Amb35600912 [0,0,0,0,0,1|2,0,1]=4 945 B11R1.91 CC(N)\C=C\c1ccccc1 Amb18124854 [0,0,0,0,0,1|2,0,1]=4 946 B11R1.91 CC(N)\C=C\c1ccccn1 Amb33172666 [0,0,0,0,0,1|2,0,1]=4 947 B11R1.91 CC(N)\C=C\c1cccnc1 Amb33172475 [0,0,0,0,0,1|2,0,1]=4 948 B11R1.91 CC(N)\C=C\c1ccncc1 Amb33359059 [0,0,0,0,0,1|2,0,1]=4 949 B11R1.91 CC(N)\C=C\c1ccncn1 Amb33475163 [0,0,0,0,0,1|2,0,1]=4 950 B11R1.91 CC(N)\C=C\c1cnccn1 Amb35603014 [0,0,0,0,0,1|2,0,1]=4 951 B11R1.91 CC(N)\C=C\c1ncccn1 Amb33269618 [0,0,0,0,0,1|2,0,1]=4 952 B11R1.91 CC(O)\C=C\c1ccccc1 Amb17593695 [0,0,0,0,0,1|1,0,2]=4 953 B11R1.91 CC(O)\C=C\c1ccccn1 Amb576300 [0,0,0,0,0,1|1,0,2]=4 954 B11R1.91 CC(O)\C=C\c1cccnc1 Amb25847379 [0,0,0,0,0,1|1,0,2]=4 955 B11R1.91 CC(O)\C=C\c1ccncc1 Amb616107 [0,0,0,0,0,1|1,0,2]=4 956 B11R1.91 CC(O)\C=C\c1ccncn1 Amb27823443 [0,0,0,0,0,1|1,0,2]=4 957 B11R1.91 CC(O)\C=C\c1cnccn1 Amb35600856 [0,0,0,0,0,1|1,0,2]=4 958 B11R1.91 CN(C)\C=C\c1ccncc1 Amb24355668 [0,0,0,0,0,1|3,0,0]=4 959 B11R1.91 CN(C)\C=C\c1ccncn1 Amb31296185 [0,0,0,0,0,1|3,0,0]=4 960 B11R1.91 CN(C)\C=C\c1ncccn1 Amb24518397 [0,0,0,0,0,1|3,0,0]=4 961 B11R1.91 CS(=O)\N=C\c1ccccc1 Amb35681663 [0,0,0,0,0,1|3,0,0]=4 962 B11R1.91 CS(=O)\N=C\c1ccccn1 Amb35681655 [0,0,0,0,0,1|3,0,0]=4 963 B11R1.91 CS(=O)\N=C\c1cccnc1 Amb35681658 [0,0,0,0,0,1|3,0,0]=4 964 B11R1.91 CS(=O)\N=C\c1ccncc1 Amb29858755 [0,0,0,0,0,1|3,0,0]=4 965 B11R1.91 CS(=O)\N=C\c1ccncn1 Amb35693130 [0,0,0,0,0,1|3,0,0]=4 966 B11R1.91 CS(=O)\N=C\c1cnccn1 Amb35602935 [0,0,0,0,0,1|3,0,0]=4 967 B11R1.91 C[C@@H](N)\C=C\c1ccccc1 Amb33083236 [0,0,0,0,0,1|2,0,1]=4 968 B11R1.91 C[C@@H](O)\C=C\c1ccccc1 Amb32954507 [0,0,0,0,0,1|1,0,2]=4 969 B11R1.91 C[C@H](N)\C=C\c1ccccc1 Amb32954166 [0,0,0,0,0,1|2,0,1]=4 970 B11R1.91 C[C@H](O)\C=C\c1ccccc1 Amb27405101 [0,0,0,0,0,1|1,0,2]=4 971 B11R1.91 N=C(N)\C=C\c1ccccc1 Amb22756994 [0,0,0,0,0,1|3,0,0]=4 972 B11R1.91 N=C(N)\C=C\c1cccnc1 Amb25992761 [0,0,0,0,0,1|3,0,0]=4 973 B11R1.91 NC(=O)\C=C/c1ccccc1 Amb4420621 [0,0,0,0,0,1|2,0,0]=3 974 B11R1.91 NC(=O)\C=C/c1cccnc1 Amb10552966 [0,0,0,0,0,1|2,0,0]=3 975 B11R1.91 NC(=O)\C=C\c1ccccc1 Amb33719420 [0,0,0,0,0,1|2,0,0]=3 976 B11R1.91 NC(=O)\C=C\c1ccccc1 Amb8513084 [0,0,0,0,0,1|2,0,0]=3 977 B11R1.91 NC(=O)\C=C\c1ccccn1 Amb25887084 [0,0,0,0,0,1|2,0,0]=3 978 B11R1.91 NC(=O)\C=C\c1cccnc1 Amb33854872 [0,0,0,0,0,1|2,0,0]=3 979 B11R1.91 NC(=O)\C=C\c1ccncc1 Amb26859260 [0,0,0,0,0,1|2,0,0]=3 980 B11R1.91 NC(=O)\N=C\c1ccccc1 Amb28364091 [0,0,0,0,0,1|3,0,0]=4 981 B11R1.91 NC(=S)\C=C\c1ccccc1 Amb18105844 [0,0,0,0,0,1|2,1,0]=4 982 B11R1.91 NC(=S)\C=C\c1ccccn1 Amb27233532 [0,0,0,0,0,1|2,1,0]=4 983 B11R1.91 NC(=S)\C=C\c1cccnc1 Amb27232946 [0,0,0,0,0,1|2,1,0]=4 984 B11R1.91 O=C(Cl)\C=C\c1ccccc1 Amb2792900 [0,0,0,0,0,1|2,0,0]=3 985 B11R1.91 O=C(Cl)\C=C\c1cccnc1 Amb6307270 [0,0,0,0,0,1|2,0,0]=3 986 B11R1.91 O=C(O)\C=C/c1ccccc1 Amb26880208 [0,0,0,0,0,1|2,0,0]=3 987 B11R1.91 O=C(O)\C=C/c1ccccn1 Amb10071558 [0,0,0,0,0,1|2,0,0]=3 988 B11R1.91 O=C(O)\C=C/c1cccnc1 Amb25378742 [0,0,0,0,0,1|2,0,0]=3 989 B11R1.91 O=C(O)\C=C/c1ccncc1 Amb20622011 [0,0,0,0,0,1|2,0,0]=3 990 B11R1.91 O=C(O)\C=C/c1cncnc1 Amb27975406 [0,0,0,0,0,1|3,0,0]=4 991 B11R1.91 O=C(O)\C=C\C1CCC=CO1 Amb25145804 [0,0,0,0,0,1|1,0,2]=4 992 B11R1.91 O=C(O)\C=C\N1C=CC=CC1 Amb22015329 [0,0,0,0,0,1|3,0,0]=4 993 B11R1.91 O=C(O)\C=C\c1ccccc1 Amb33719192 [0,0,0,0,0,1|2,0,0]=3 994 B11R1.91 O=C(O)\C=C\c1ccccc1 Amb6456608 [0,0,0,0,0,1|2,0,0]=3 995 B11R1.91 O=C(O)\C=C\c1ccccn1 Amb2690432 [0,0,0,0,0,1|2,0,0]=3 996 B11R1.91 O=C(O)\C=C\c1cccnc1 Amb2690433 [0,0,0,0,0,1|2,0,0]=3 997 B11R1.91 O=C(O)\C=C\c1cccnc1 Amb33718815 [0,0,0,0,0,1|2,0,0]=3 998 B11R1.91 O=C(O)\C=C\c1cccnn1 Amb18125070 [0,0,0,0,0,1|2,0,0]=3 999 B11R1.91 O=C(O)\C=C\c1ccncc1 Amb1107607 [0,0,0,0,0,1|2,0,0]=3 1000 B11R1.91 O=C(O)\C=C\c1ccncn1 Amb25337419 [0,0,0,0,0,1|2,0,0]=3 1001 B11R1.91 O=C(O)\C=C\c1ccnnc1 Amb18125071 [0,0,0,0,0,1|3,0,0]=4 1002 B11R1.91 O=C(O)\C=C\c1cnccn1 Amb24082749 [0,0,0,0,0,1|2,0,0]=3 1003 B11R1.91 O=C(O)\C=C\c1cncnc1 Amb9780324 [0,0,0,0,0,1|3,0,0]=4 1004 B11R1.91 O=C(O)\C=C\c1ncccn1 Amb17593721 [0,0,0,0,0,1|2,0,0]=3 1005 B11R1.91 O=C([O-])\C=C\c1ccccc1 Amb33513073 [0,0,0,0,0,1|2,0,0]=3 1006 B11R1.91 O=C([O-])\C=C\c1ccccc1 Amb6383246 [0,0,0,0,0,1|2,0,0]=3 1007 B11R1.91 O=C([O-])\C=C\c1cccnc1 Amb33512942 [0,0,0,0,0,1|2,0,0]=3 1008 B11R1.91 O=S(O)\C=C\c1ccccc1 Amb32753683 [0,0,0,0,0,1|3,0,0]=4 1009 B11R1.91 O=S([O-])\C=C\c1ccccc1 Amb26016414 [0,0,0,0,0,1|3,0,0]=4 1010 B11R1.91 O=[N+]([O-])\C=C/c1ccccc1 Amb4066298 [0,0,0,0,0,1|3,0,0]=4 1011 B11R1.91 O=[N+]([O-])\C=C/c1ccncc1 Amb1054083 [0,0,0,0,0,1|3,0,0]=4 1012 B11R1.91 O=[N+]([O-])\C=C\c1ccccc1 Amb33719275 [0,0,0,0,0,1|3,0,0]=4 1013 B11R1.91 O=[N+]([O-])\C=C\c1ccccc1 Amb8396046 [0,0,0,0,0,1|3,0,0]=4 1014 B11R1.91 O=[N+]([O-])\C=C\c1ccccn1 Amb19373998 [0,0,0,0,0,1|3,0,0]=4 1015 B11R1.91 O=[N+]([O-])\C=C\c1ccccn1 Amb24106744 [0,0,0,0,0,1|3,0,0]=4 1016 B11R1.91 O=[N+]([O-])\C=C\c1cccnc1 Amb19515469 [0,0,0,0,0,1|3,0,0]=4 1017 B11R1.91 O=[N+]([O-])\C=C\c1cccnc1 Amb33512945 [0,0,0,0,0,1|3,0,0]=4 1018 B11R1.91 O=[N+]([O-])\C=C\c1ccncc1 Amb19374504 [0,0,0,0,0,1|3,0,0]=4 1019 B11R1.91 O=[N+]([O-])\C=C\c1ccncc1 Amb24096963 [0,0,0,0,0,1|3,0,0]=4 1020 B11R1.91 O=[N+]([O-])\C=C\c1ccncn1 Amb33171845 [0,0,0,0,0,1|3,0,0]=4 1021 B11R1.91 O=[N+]([O-])\C=C\c1cnccn1 Amb26880363 [0,0,0,0,0,1|3,0,0]=4 1022 B11R1.91 O=[N+]([O-])\C=C\c1ncccn1 Amb27968261 [0,0,0,0,0,1|3,0,0]=4 1023 B11R1.172 C=C(C)CNCc1ccco1 Amb17308692 [0,0,0,0,0,1|1,0,2]=4 1024 B11R1.172 CC(=O)C=C=Cc1ccco1 Amb24689517 [0,0,0,0,0,1|0,0,0]=1 1025 B11R1.172 CC(=O)CCCc1ccco1 Amb17232099 [0,0,0,0,0,1|0,0,2]=3 1026 B11R1.172 CC(=O)CCCc1cccs1 Amb17232678 [0,0,0,0,0,1|0,1,2]=4 1027 B11R1.172 CC(=O)CCSc1ccco1 Amb27672627 [0,0,0,0,0,1|0,0,2]=3 1028 B11R1.172 CC(=O)CSCc1ccco1 Amb6357577 [0,0,0,0,0,1|0,0,2]=3 1029 B11R1.172 CC(=O)NCCc1ccco1 Amb8336373 [0,0,0,0,0,1|0,0,2]=3 1030 B11R1.172 CC(=O)N\C=C\c1ccco1 Amb28143852 [0,0,0,0,0,1|0,0,0]=1 1031 B11R1.172 CC(=O)N\N=C\c1ccco1 Amb6883602 [0,0,0,0,0,1|1,0,0]=2 1032 B11R1.172 CC(=O)N\N=C\c1cccs1 Amb3359974 [0,0,0,0,0,1|1,1,0]=3 1033 B11R1.172 CC(=O)N\N=C\c1ccoc1 Amb4357515 [0,0,0,0,0,1|3,0,0]=4 1034 B11R1.172 CC(=O)N\N=C\c1ccsc1 Amb17860763 [0,0,0,0,0,1|3,0,0]=4 1035 B11R1.172 CC(=O)N\N=C\c1cocn1 Amb27973809 [0,0,0,0,0,1|3,0,0]=4 1036 B11R1.172 CC(=O)N\N=C\c1cscn1 Amb27840042 [0,0,0,0,0,1|3,0,0]=4 1037 B11R1.172 CC(=O)OCCc1ccco1 Amb27272289 [0,0,0,0,0,1|0,0,2]=3 1038 B11R1.172 CC(=O)OCCc1cccs1 Amb24756179 [0,0,0,0,0,1|0,1,2]=4 1039 B11R1.172 CC(=O)OCSc1cccs1 Amb27270358 [0,0,0,0,0,1|1,1,1]=4 1040 B11R1.172 CC(C)=CCCc1ccco1 Amb35709490 [0,0,0,0,0,1|1,0,1]=3 1041 B11R1.172 CC(C)=CCCc1cccs1 Amb30023890 [0,0,0,0,0,1|1,1,1]=4 1042 B11R1.172 CC(C)=CCSc1cccs1 Amb27840166 [0,0,0,0,0,1|1,1,1]=4 1043 B11R1.172 CC(C)=CCSc1ncco1 Amb27839919 [0,0,0,0,0,1|2,0,1]=4 1044 B11R1.172 CC(C)C\N=C\c1ccco1 Amb26934585 [0,0,0,0,0,1|1,0,2]=4 1045 B11R1.172 CC(C)O\N=C\c1ccco1 Amb27761424 [0,0,0,0,0,1|2,0,1]=4 1046 B11R1.172 CC(O)C\C=C\c1cccs1 Amb27812112 [0,0,0,0,0,1|0,1,2]=4 1047 B11R1.172 CC(O)C\N=C\c1ccco1 Amb27662335 [0,0,0,0,0,1|0,0,3]=4 1048 B11R1.172 N=C(N)N\N=C\c1ccco1 Amb1032313 [0,0,0,0,0,1|3,0,0]=4 1049 B11R1.172 N=C(S)N\N=C\c1ccco1 Amb4270363 [0,0,0,0,0,1|2,1,0]=4 1050 B11R1.172 NC(=O)CNCc1ccco1 Amb1131866 [0,0,0,0,0,1|1,0,2]=4 1051 B11R1.172 NC(=O)N\N=C/c1cccs1 Amb30622475 [0,0,0,0,0,1|2,1,0]=4 1052 B11R1.172 NC(=O)N\N=C\c1ccco1 Amb27399961 [0,0,0,0,0,1|2,0,0]=3 1053 B11R1.172 NC(=S)N\N=C\c1ccco1 Amb6739781 [0,0,0,0,0,1|2,1,0]=4 1054 B11R1.172 O=C(Cl)NCCc1ccco1 Amb35625501 [0,0,0,0,0,1|1,0,2]=4 1055 B11R1.172 O=C(O)CC#Cc1ccco1 Amb25229145 [0,0,0,0,0,1|1,0,2]=4 1056 B11R1.172 O=C(O)CCCc1ccco1 Amb18125675 [0,0,0,0,0,1|1,0,2]=4 1057 B11R1.172 O=C(O)CNCc1ccco1 Amb2592332 [0,0,0,0,0,1|1,0,2]=4 1058 B11R1.172 O=C(O)CSCc1ccco1 Amb2721897 [0,0,0,0,0,1|1,0,2]=4 1059 B11R1.172 O=C(O)C\C=C\c1cccs1 Amb18563846 [0,0,0,0,0,1|1,1,0]=3 1060 B11R1.172 O=C(O)C\C=C\c1ccns1 Amb26570699 [0,0,0,0,0,1|2,1,0]=4 1061 B11R1.172 O=C(O)C\N=C\c1cccs1 Amb27983815 [0,0,0,0,0,1|1,1,1]=4 1062 B11R1.172 O=C(O)\C=C\Cc1ccco1 Amb25060755 [0,0,0,0,0,1|1,0,0]=2 1063 B11R1.172 O=C(O)\C=C\Cc1cccs1 Amb25989107 [0,0,0,0,0,1|1,1,0]=3 1064 B11R1.172 O=C(O)\C=C\Cc1ccsc1 Amb33470057 [0,0,0,0,0,1|3,0,0]=4 1065 B11R1.172 O=C(O)\C=C\Nc1nccs1 Amb2525886 [0,0,0,0,0,1|2,1,0]=4 1066 B11R1.172 O=C([O-])COCc1ccco1 Amb10610157 [0,0,0,0,0,1|1,0,2]=4 1067 B8R0.4 CO\C=C\C=C\C=C\Br Amb27634863 [1,0,1,0,0,0|2,0,0]=4 1068 B8R0.4 CO\C=C\C=C\C=C\Cl Amb27243657 [1,0,1,0,0,0|2,0,0]=4 1069 B8R0.4 C\C=C\C=C\C=C\C=O Amb17593248 [1,0,1,0,0,0|0,0,1]=3 1070 B8R0.4 C\C=C\C=C\C=C\CBr Amb27424622 [1,0,1,0,0,0|1,0,1]=4 1071 B8R0.4 O=C\C=C\C=C/CC=O Amb28285297 [1,0,1,0,0,0|0,0,2]=4 1072 B8R0.4 O=C\C=C\C=C\C=C/Cl Amb27754044 [1,0,1,0,0,0|1,0,0]=3 1073 B8R0.4 O=C\C=C\C=C\CC=O Amb27841285 [1,0,1,0,0,0|0,0,2]=4 1074 B8R0.4 OC\C=C\C=C\C=C\Cl Amb27878783 [1,0,1,0,0,0|1,0,1]=4 1075 B8R0.7 C#C\C=C\C=C\C(C)=O Amb27789857 [1,0,1,0,0,0|0,0,2]=4 1076 B8R0.7 C=C\C=C\C=C\C(=O)O Amb28346293 [1,0,1,0,0,0|1,0,0]=3 1077 B8R0.7 CC(=O)\C=C\C=C\CCl Amb27254525 [1,0,1,0,0,0|1,0,1]=4 1078 B8R0.7 CC\C=C/C=C/C(C)=O Amb27164670 [1,0,1,0,0,0|0,0,2]=4 1079 B8R0.7 CC\C=C\C=C\C(C)=O Amb24667251 [1,0,1,0,0,0|0,0,2]=4 1080 B8R0.7 CO\C=C\C=C\C(C)=O Amb27875381 [1,0,1,0,0,0|1,0,1]=4 1081 B8R0.7 C\C=C\C=C/C=C(C)C Amb22641676 [1,0,1,0,0,0|1,0,1]=4 1082 B8R0.7 C\C=C\C=C\CC(C)=O Amb27248237 [1,0,1,0,0,0|0,0,2]=4 1083 B8R0.7 NC(=O)\C=C\C=C\CO Amb27469398 [1,0,1,0,0,0|1,0,1]=4 1084 B8R0.7 O=C(O)\C=C\C=C\CO Amb27779174 [1,0,1,0,0,0|1,0,1]=4 1085 B8R0.7 O=C\C=C\C=C\C(=O)O Amb27420164 [1,0,1,0,0,0|1,0,1]=4 1086 B8R0.9 C=C(\C=C\C(C)=O)CC Amb26492679 [1,0,1,0,0,0|0,0,2]=4 1087 B8R0.9 C=CC(=O)\C=C\C(C)=O Amb24061722 [1,0,1,0,0,0|0,0,1]=3 1088 B8R0.9 CC(=O)\C=C\C(O)C=O Amb27798118 [1,0,1,0,0,0|1,0,1]=4 1089 B8R0.9 COC(=O)\C=C\C(C)=O Amb22336182 [1,0,1,0,0,0|1,0,1]=4 1090 B8R0.9 C\C=C(C)/C=C/C(C)=O Amb27428251 [1,0,1,0,0,0|0,0,2]=4 1091 B8R0.9 C\C=C(C)\C=C/C(C)=O Amb28199822 [1,0,1,0,0,0|0,0,2]=4 1092 B8R0.1 CC(=C\C=O)\C=C\C=O Amb27227121 [1,0,1,0,0,0|2,0,0]=4 1093 B8R1.8 Br\C=C\c1ccco1 Amb33134803 [2,0,0,0,0,0|1,0,0]=3 1094 B8R1.8 Br\C=C\c1cccs1 Amb33134763 [2,0,0,0,0,0|1,1,0]=4 1095 B8R1.8 C=C=Cc1ccco1 Amb27638814 [2,0,0,0,0,0|0,0,1]=3 1096 B8R1.8 C=CCc1ccco1 Amb26612842 [2,0,0,0,0,0|0,0,1]=3 1097 B8R1.8 C=CCc1cccs1 Amb27882648 [2,0,0,0,0,0|0,1,1]=4 1098 B8R1.8 C=NCc1ccco1 Amb28287800 [2,0,0,0,0,0|1,0,1]=4 1099 B8R1.8 CCCc1ccco1 Amb10070288 [2,0,0,0,0,0|0,0,2]=4 1100 B8R1.8 CCNc1ccco1 Amb27593280 [2,0,0,0,0,0|1,0,1]=4 1101 B8R1.8 CCSc1ccco1 Amb27667158 [2,0,0,0,0,0|1,0,1]=4 1102 B8R1.8 CNCc1ccco1 Amb1153202 [2,0,0,0,0,0|1,0,1]=4 1103 B8R1.8 CNCc1ccco1 Amb7172520 [2,0,0,0,0,0|1,0,1]=4 1104 B8R1.8 COCc1ccco1 Amb24116969 [2,0,0,0,0,0|1,0,1]=4 1105 B8R1.8 CO[SiH2]c1ccco1 Amb27215529 [2,0,0,0,0,0|1,1,0]=4 1106 B8R1.8 CSCc1ccco1 Amb8393158 [2,0,0,0,0,0|1,0,1]=4 1107 B8R1.8 C\N=C\c1cccs1 Amb27849144 [2,0,0,0,0,0|1,1,0]=4 1108 B8R1.8 I\C=C\c1ccco1 Amb24697510 [2,0,0,0,0,0|1,0,0]=3 1109 B8R1.8 N\C=C\c1ccco1 Amb28367758 [2,0,0,0,0,0|1,0,0]=3 1110 B8R1.8 N\C=C\c1cnco1 Amb28133163 [2,0,0,0,0,0|2,0,0]=4 1111 B8R1.8 N\N=C\c1ccco1 Amb35789578 [2,0,0,0,0,0|2,0,0]=4 1112 B8R1.8 O=C=Cc1cccs1 Amb27632892 [2,0,0,0,0,0|0,1,1]=4 1113 B8R1.8 O=C=Nc1ccco1 Amb6272977 [2,0,0,0,0,0|1,0,1]=4 1114 B8R1.8 O=CCc1ccco1 Amb17089526 [2,0,0,0,0,0|0,0,1]=3 1115 B8R1.8 O=CCc1cccs1 Amb17089527 [2,0,0,0,0,0|0,1,1]=4 1116 B8R1.8 O=CCc1ccno1 Amb28060201 [2,0,0,0,0,0|1,0,1]=4 1117 B8R1.8 O=CCc1cnco1 Amb24653904 [2,0,0,0,0,0|1,0,1]=4 1118 B8R1.8 O=CCc1ncco1 Amb26946687 [2,0,0,0,0,0|1,0,1]=4 1119 B8R1.8 O=CNc1ccco1 Amb28135036 [2,0,0,0,0,0|1,0,0]=3 1120 B8R1.8 O=CNc1cccs1 Amb28282647 [2,0,0,0,0,0|1,1,0]=4 1121 B8R1.8 O=COc1ccco1 Amb27591421 [2,0,0,0,0,0|1,0,0]=3 1122 B8R1.8 O=COc1cccs1 Amb27798954 [2,0,0,0,0,0|1,1,0]=4 1123 B8R1.8 O=C\C=C1/C=COC1 Amb27461596 [2,0,0,0,0,0|2,0,0]=4 1124 B8R1.8 O\N=C\c1ccco1 Amb6374169 [2,0,0,0,0,0|1,0,1]=4 1125 B8R1.8 [N-]=[N+]=Cc1ccco1 Amb27971199 [2,0,0,0,0,0|2,0,0]=4 1126 B10R0.3 CC(=O)\C=C\C=C(C)\C=N\O Amb28285814 [0,1,1,0,0,0|1,0,0]=3 1127 B10R0.3 CC(C)=C\C=C\C(C)=C\C=O Amb18125167 [0,1,1,0,0,0|1,0,1]=4 1128 B10R0.3 C\C=C\C(=O)\C=C\OC(C)=O Amb27269947 [0,1,1,0,0,0|2,0,0]=4 1129 B10R0.6 C\C=C\C=C\C(C)=C\C(C)=O Amb27256364 [0,1,1,0,0,0|1,0,0]=3 1130 B10R0.55 CC(=C\Cl)\C=C\C=C\C(=O)O Amb28119879 [0,1,1,0,0,0|2,0,0]=4 1131 B10R0.55 COC(=O)\C=C/C=C\C(C)=O Amb27672212 [0,1,1,0,0,0|2,0,0]=4 1132 B10R0.55 COC(=O)\C=C\C=C/C(C)=O Amb27672213 [0,1,1,0,0,0|2,0,0]=4 1133 B10R0.55 COC(=O)\C=C\C=C\C(C)=O Amb27673586 [0,1,1,0,0,0|2,0,0]=4 1134 B10R0.74 C#C\C(C)=C/C=C/C=C/C=O Amb27481676 [0,1,1,0,0,0|1,0,1]=4 1135 B10R0.74 C\C=C\C=C\C=C\C(=O)CC Amb27672615 [0,1,1,0,0,0|1,0,0]=3 1136 B10R0.78 C=CCNC(=O)\C=C\C(C)=O Amb28080105 [0,1,1,0,0,0|1,0,1]=4 1137 B10R0.78 C=CCOC(=O)\C=C\C(=O)O Amb24117067 [0,1,1,0,0,0|1,0,1]=4 1138 B10R0.97 CC(=O)N\C=C\C=C\C(=O)O Amb27983773 [0,1,1,0,0,0|1,0,0]=3 1139 B10R0.97 CC(=O)N\C=N\C=C\C(=O)O Amb27659308 [0,1,1,0,0,0|2,0,0]=4 1140 B10R0.97 CC(=O)\C=C\O\C=C\C(C)=O Amb27672613 [0,1,1,0,0,0|1,0,1]=4 1141 B10R0.97 CC(C)=C\C=C\C=C\C(=O)O Amb28396656 [0,1,1,0,0,0|1,0,0]=3 1142 B10R0.97 O=C(O)\C=C\C=C\C=C(Cl)Cl Amb27444931 [0,1,1,0,0,0|2,0,0]=4 1143 B10R0.97 O=C(O)\C=C\C=C\CC(=O)O Amb27990006 [0,1,1,0,0,0|1,0,1]=4 1144 B10R0.96 CC(=O)\C=C(O)\C=C\C(=O)O Amb28320353 [0,1,1,0,0,0|1,0,1]=4 1145 B10R0.96 CC(=O)\C=C/C(=O)OC(C)=O Amb27672303 [0,1,1,0,0,0|1,0,1]=4 1146 B10R0.108 C\C=C\C(=O)\C=C\C(=O)OC Amb27673776 [0,1,1,0,0,0|0,0,2]=4 1147 B10R1.11 C=CCC(=O)c1ccco1 Amb10562220 [1,1,0,0,0,0|0,0,2]=4 1148 B10R1.11 CC(CC=O)c1ccco1 Amb17593491 [1,1,0,0,0,0|0,0,2]=4 1149 B10R1.11 CCCC(=O)c1ccco1 Amb4018004 [1,1,0,0,0,0|0,0,2]=4 1150 B10R1.11 CCOC(=N)c1ccco1 Amb27837592 [1,1,0,0,0,0|1,0,1]=4 1151 B10R1.11 CCOC(=O)c1ccco1 Amb2725474 [1,1,0,0,0,0|1,0,1]=4 1152 B10R1.11 CNCC(=O)c1ccco1 Amb21862170 [1,1,0,0,0,0|1,0,1]=4 1153 B10R1.11 COCC(=O)c1ccco1 Amb9665979 [1,1,0,0,0,0|1,0,1]=4 1154 B10R1.11 CO\N=C(/N)c1ccco1 Amb18224072 [1,1,0,0,0,0|2,0,0]=4 1155 B10R1.11 CSCC(=O)c1ccco1 Amb18791728 [1,1,0,0,0,0|1,0,1]=4 1156 B10R1.11 C[C@@H](NC=O)c1ccco1 Amb27485041 [1,1,0,0,0,0|1,0,1]=4 1157 B10R1.11 C\C=C\C(=O)c1cncs1 Amb24646601 [1,1,0,0,0,0|1,1,0]=4 1158 B10R1.11 C\C=C\C(=O)n1cccn1 Amb27448112 [1,1,0,0,0,0|2,0,0]=4 1159 B10R1.11 C\C=C\[C@@H](O)c1ccco1 Amb27978317 [1,1,0,0,0,0|0,0,1]=3 1160 B10R1.11 O=C(\C=C\Cl)c1cccs1 Amb24478325 [1,1,0,0,0,0|1,1,0]=4 1161 B10R1.11 O=C(\C=C\[O-])c1ccco1 Amb24121225 [1,1,0,0,0,0|0,0,1]=3 1162 B10R1.11 O=C(\C=C\[O-])c1cccs1 Amb27251932 [1,1,0,0,0,0|0,1,1]=4 1163 B10R1.11 O=C=NC(=O)c1ccco1 Amb17231898 [1,1,0,0,0,0|1,0,1]=4 1164 B10R1.11 O=CCC(=O)c1ccco1 Amb9204969 [1,1,0,0,0,0|0,0,1]=3 1165 B10R1.11 O=CCC(=O)c1cccs1 Amb9204971 [1,1,0,0,0,0|0,1,1]=4 1166 B10R1.11 O=CNC(=O)c1cccs1 Amb5282864 [1,1,0,0,0,0|1,1,0]=4 1167 B10R1.11 O=C\C=C(/Cl)c1cccs1 Amb28076086 [1,1,0,0,0,0|0,1,0]=3 1168 B10R1.11 O=C\C=C(/Cl)c1ccsc1 Amb13777329 [1,1,0,0,0,0|2,0,0]=4 1169 B10R1.11 O=C\C=C(\Cl)c1cccs1 Amb28049394 [1,1,0,0,0,0|0,1,0]=3 1170 B10R1.11 [N-]=[N+]=CC(=O)c1ccco1 Amb17593439 [1,1,0,0,0,0|2,0,0]=4 1171 B10R1.16 CC\C=C\c1cc(N)no1 Amb33272618 [1,1,0,0,0,0|1,0,1]=4 1172 B10R1.16 CC\C=C\c1cnc(N)o1 Amb33272604 [1,1,0,0,0,0|1,0,1]=4 1173 B10R1.16 CO\N=C\c1cc(Br)co1 Amb27451767 [1,1,0,0,0,0|2,0,0]=4 1174 B10R1.16 CO\N=C\c1ccc(Br)o1 Amb27408473 [1,1,0,0,0,0|2,0,0]=4 1175 B10R1.16 C\C=C\Sc1ccc(C)o1 Amb27778637 [1,1,0,0,0,0|1,0,0]=3 1176 B10R1.16 Cc1cc(\C=C\C=O)no1 Amb33316704 [1,1,0,0,0,0|2,0,0]=4 1177 B10R1.16 Cc1cc(\C=C\C=O)on1 Amb33429946 [1,1,0,0,0,0|1,0,0]=3 1178 B10R1.16 Cc1cc(\C=C\C=O)sn1 Amb35719815 [1,1,0,0,0,0|1,1,0]=4 1179 B10R1.16 Cc1ccc(CCC=O)o1 Amb2794106 [1,1,0,0,0,0|0,0,2]=4 1180 B10R1.16 Cc1ccc(CNC=O)o1 Amb27238043 [1,1,0,0,0,0|1,0,1]=4 1181 B10R1.16 Cc1ccc(\C=C\C#N)o1 Amb27268196 [1,1,0,0,0,0|1,0,1]=4 1182 B10R1.16 Cc1ccc(\C=C\C=O)o1 Amb17593442 [1,1,0,0,0,0|0,0,0]=2 1183 B10R1.16 Cc1ccc(\C=C\C=O)s1 Amb33136417 [1,1,0,0,0,0|0,1,0]=3 1184 B10R1.16 Cc1ccc(\C=C\CN)o1 Amb25139173 [1,1,0,0,0,0|1,0,1]=4 1185 B10R1.16 Cc1ccc(\C=C\CO)o1 Amb17593490 [1,1,0,0,0,0|0,0,2]=4 1186 B10R1.16 Cc1cnc(\C=C\C=O)s1 Amb28057892 [1,1,0,0,0,0|1,1,0]=4 1187 B10R1.16 Cc1csc(\C=C\C=O)c1 Amb33427137 [1,1,0,0,0,0|0,1,0]=3 1188 B10R1.16 Cc1nc(\C=C\C=O)cs1 Amb32954224 [1,1,0,0,0,0|2,0,0]=4 1189 B10R1.16 Cc1ncc(\C=C\C=O)s1 Amb32953984 [1,1,0,0,0,0|1,1,0]=4 1190 B10R1.16 Clc1ccc(\C=C\CBr)o1 Amb28050906 [1,1,0,0,0,0|1,0,1]=4 1191 B10R1.16 Cn1ccc(\C=C\C=O)n1 Amb32725249 [1,1,0,0,0,0|2,0,0]=4 1192 B10R1.16 Cn1cnc(\C=C\C=O)c1 Amb33359161 [1,1,0,0,0,0|2,0,0]=4 1193 B10R1.16 N#C\C=C\c1ccc(Br)o1 Amb27799316 [1,1,0,0,0,0|1,0,1]=4 1194 B10R1.16 NC\C=C\c1cc(Br)co1 Amb33431900 [1,1,0,0,0,0|1,0,1]=4 1195 B10R1.16 NC\C=C\c1ccc(Br)o1 Amb27765203 [1,1,0,0,0,0|1,0,1]=4 1196 B10R1.16 NC\C=C\c1ccc(Cl)o1 Amb33407181 [1,1,0,0,0,0|1,0,1]=4 1197 B10R1.16 O=CCCc1cc(Br)co1 Amb33431940 [1,1,0,0,0,0|0,0,2]=4 1198 B10R1.16 O=CCCc1ccc(Br)o1 Amb24690247 [1,1,0,0,0,0|0,0,2]=4 1199 B10R1.16 O=CCCc1ccc(Cl)o1 Amb26916053 [1,1,0,0,0,0|0,0,2]=4 1200 B10R1.16 O=CCCc1ccc(F)o1 Amb27240180 [1,1,0,0,0,0|0,0,2]=4 1201 B10R1.16 O=CNCc1ccc(Cl)o1 Amb35635341 [1,1,0,0,0,0|1,0,1]=4 1202 B10R1.16 O=C\C=C/C1=CC(=O)OC1 Amb18643212 [1,1,0,0,0,0|2,0,0]=4 1203 B10R1.16 O=C\C=C\C1C=CC(=O)O1 Amb27185828 [1,1,0,0,0,0|0,0,1]=3 1204 B10R1.16 O=C\C=C\c1cc(Br)co1 Amb33431864 [1,1,0,0,0,0|0,0,0]=2 1205 B10R1.16 O=C\C=C\c1cc(Br)cs1 Amb33136419 [1,1,0,0,0,0|0,1,0]=3 1206 B10R1.16 O=C\C=C\c1cc(Cl)cs1 Amb27238215 [1,1,0,0,0,0|0,1,0]=3 1207 B10R1.16 O=C\C=C\c1ccc(Br)o1 Amb18130678 [1,1,0,0,0,0|0,0,0]=2 1208 B10R1.16 O=C\C=C\c1ccc(Br)s1 Amb27184057 [1,1,0,0,0,0|0,1,0]=3 1209 B10R1.16 O=C\C=C\c1ccc(Cl)o1 Amb18644875 [1,1,0,0,0,0|0,0,0]=2 1210 B10R1.16 O=C\C=C\c1ccc(Cl)s1 Amb33261658 [1,1,0,0,0,0|0,1,0]=3 1211 B10R1.16 O=C\C=C\c1cnc(Cl)s1 Amb33221345 [1,1,0,0,0,0|1,1,0]=4 1212 B10R1.16 O=C\C=C\c1csc(Br)c1 Amb33451389 [1,1,0,0,0,0|2,0,0]=4 1213 B10R1.16 O=C\C=C\c1csc(Br)n1 Amb33335373 [1,1,0,0,0,0|2,0,0]=4 1214 B10R1.16 O=C\C=C\c1ncc(Br)s1 Amb33436092 [1,1,0,0,0,0|1,1,0]=4 1215 B10R1.16 O=C\C=C\c1ncc(I)s1 Amb27960225 [1,1,0,0,0,0|1,1,0]=4 1216 B10R1.16 OC\C=C\c1cc(Br)co1 Amb33431896 [1,1,0,0,0,0|0,0,2]=4 1217 B10R1.16 OC\C=C\c1ccc(Br)o1 Amb27403742 [1,1,0,0,0,0|0,0,2]=4 1218 B10R1.16 OC\C=C\c1ccc(Cl)o1 Amb33390418 [1,1,0,0,0,0|0,0,2]=4 1219 B10R1.21 BrCC\C=C\c1ccco1 Amb24572899 [1,1,0,0,0,0|0,0,1]=3 1220 B10R1.21 BrCC\C=C\c1cccs1 Amb17141007 [1,1,0,0,0,0|0,1,1]=4 1221 B10R1.21 CCO\N=C\c1ccco1 Amb26411540 [1,1,0,0,0,0|1,0,1]=4 1222 B10R1.21 CC\C=C\Cc1ccco1 Amb24558353 [1,1,0,0,0,0|0,0,1]=3 1223 B10R1.21 CNC\C=C\c1cccs1 Amb23555589 [1,1,0,0,0,0|0,1,1]=4 1224 B10R1.21 C\C=C\C#Cc1ccco1 Amb27191763 [1,1,0,0,0,0|0,0,1]=3 1225 B10R1.21 C\C=C\CSc1ncco1 Amb27424942 [1,1,0,0,0,0|1,0,1]=4 1226 B10R1.21 ClCC\C=C\c1cccs1 Amb17232925 [1,1,0,0,0,0|0,1,1]=4 1227 B10R1.21 Cl\C=C\SCc1ccco1 Amb27219625 [1,1,0,0,0,0|1,0,1]=4 1228 B10R1.21 N#CC\C=C\c1ccco1 Amb24360130 [1,1,0,0,0,0|0,0,2]=4 1229 B10R1.21 NCC\C=C\c1ccco1 Amb27400758 [1,1,0,0,0,0|0,0,1]=3 1230 B10R1.21 NCC\C=C\c1cccs1 Amb17138447 [1,1,0,0,0,0|0,1,1]=4 1231 B10R1.21 O=C=N\C=C\c1ccco1 Amb27984198 [1,1,0,0,0,0|0,0,1]=3 1232 B10R1.21 O=C=N\C=C\c1cccs1 Amb25945396 [1,1,0,0,0,0|0,1,1]=4 1233 B10R1.21 O=CCCCc1ccco1 Amb28050259 [1,1,0,0,0,0|0,0,2]=4 1234 B10R1.21 O=CN\C=C\c1cccs1 Amb27482776 [1,1,0,0,0,0|0,1,0]=3 1235 B10R1.21 O=CN\N=C\c1ccco1 Amb28184754 [1,1,0,0,0,0|1,0,0]=3 1236 B10R1.21 O=CO\C=C\c1ccco1 Amb28436284 [1,1,0,0,0,0|0,0,0]=2 1237 B10R1.21 OCC\C=C\c1cccs1 Amb27197496 [1,1,0,0,0,0|0,1,1]=4 1238 B10R1.21 OCC\N=C\c1ccco1 Amb17593526 [1,1,0,0,0,0|1,0,1]=4 1239 B10R1.21 O\N=C\C=C\c1ccco1 Amb27765781 [1,1,0,0,0,0|0,0,1]=3 1240 B10R1.27 C#C\C(C)=C\c1ccco1 Amb33311315 [1,1,0,0,0,0|0,0,2]=4 1241 B10R1.27 C=CC(=O)Cc1ccco1 Amb27476270 [1,1,0,0,0,0|0,0,2]=4 1242 B10R1.27 C=C\C(C)=C/c1ccco1 Amb27440408 [1,1,0,0,0,0|0,0,1]=3 1243 B10R1.27 C=C\C(C)=C\c1ccco1 Amb33359794 [1,1,0,0,0,0|0,0,1]=3 1244 B10R1.27 CCC(=O)Cc1ccco1 Amb1102322 [1,1,0,0,0,0|0,0,2]=4 1245 B10R1.27 CCC(=O)Sc1ccco1 Amb27968127 [1,1,0,0,0,0|1,0,1]=4 1246 B10R1.27 COC(=O)Nc1ccco1 Amb28241377 [1,1,0,0,0,0|2,0,0]=4 1247 B10R1.27 COC(=O)Oc1ccco1 Amb27974836 [1,1,0,0,0,0|2,0,0]=4 1248 B10R1.27 CSC(=O)Cc1ccco1 Amb27843701 [1,1,0,0,0,0|1,0,1]=4 1249 B10R1.27 C[C@H](C=O)Cc1ccco1 Amb27861368 [1,1,0,0,0,0|0,0,2]=4 1250 B10R1.27 C\C(=C/c1ccco1)CBr Amb33136397 [1,1,0,0,0,0|1,0,1]=4 1251 B10R1.27 C\C(=C/c1ccco1)CCl Amb33136399 [1,1,0,0,0,0|1,0,1]=4 1252 B10R1.27 C\C(=C/c1ccco1)CN Amb33136395 [1,1,0,0,0,0|1,0,1]=4 1253 B10R1.27 C\C(=C/c1ccco1)CO Amb27185698 [1,1,0,0,0,0|0,0,2]=4 1254 B10R1.27 C\C(=C/c1ccco1)CS Amb33197995 [1,1,0,0,0,0|0,1,1]=4 1255 B10R1.27 C\C(=C\c1ccco1)CO Amb28240574 [1,1,0,0,0,0|0,0,2]=4 1256 B10R1.27 C\C(C#N)=C/c1ccco1 Amb18642923 [1,1,0,0,0,0|1,0,1]=4 1257 B10R1.27 C\C(C#N)=C\c1ccco1 Amb27444803 [1,1,0,0,0,0|1,0,1]=4 1258 B10R1.27 C\C(C=O)=C/c1ccco1 Amb3599297 [1,1,0,0,0,0|0,0,0]=2 1259 B10R1.27 C\C(C=O)=C/c1cccs1 Amb17334333 [1,1,0,0,0,0|0,1,0]=3 1260 B10R1.27 C\C(C=O)=C/c1ccns1 Amb35719812 [1,1,0,0,0,0|1,1,0]=4 1261 B10R1.27 C\C(C=O)=C/c1ccsc1 Amb18644530 [1,1,0,0,0,0|2,0,0]=4 1262 B10R1.27 C\C(C=O)=C/c1cncs1 Amb27405461 [1,1,0,0,0,0|1,1,0]=4 1263 B10R1.27 C\C(C=O)=C\c1ccco1 Amb2792767 [1,1,0,0,0,0|0,0,0]=2 1264 B10R1.27 C\C(C=O)=C\c1ccoc1 Amb28050918 [1,1,0,0,0,0|2,0,0]=4 1265 B10R1.27 C\C(C=O)=C\c1ccsc1 Amb27402244 [1,1,0,0,0,0|2,0,0]=4 1266 B10R1.27 C\C(C=O)=C\c1nccs1 Amb27172890 [1,1,0,0,0,0|1,1,0]=4 1267 B10R1.27 O=CC(=O)Cc1ccco1 Amb27180510 [1,1,0,0,0,0|0,0,1]=3 1268 B10R1.27 O=CC(O)Cc1ccco1 Amb27174865 [1,1,0,0,0,0|0,0,2]=4 1269 B10R1.27 O=C\C(Cl)=C/c1cccs1 Amb27227152 [1,1,0,0,0,0|0,1,0]=3 1270 B10R1.27 O=C\C(Cl)=C\c1ccco1 Amb27166107 [1,1,0,0,0,0|0,0,0]=2 1271 B10R1.27 O=C\C(F)=C\c1cccs1 Amb27770449 [1,1,0,0,0,0|0,1,0]=3 1272 B10R1.29 CC\C=C\c1oncc1N Amb33272608 [1,1,0,0,0,0|1,0,1]=4 1273 B10R1.29 Cc1ccoc1CCC=O Amb33343122 [1,1,0,0,0,0|0,0,2]=4 1274 B10R1.29 Cc1ccoc1\C=C\C=O Amb32954708 [1,1,0,0,0,0|0,0,0]=2 1275 B10R1.29 Cc1ccoc1\C=C\CBr Amb28144293 [1,1,0,0,0,0|1,0,1]=4 1276 B10R1.29 Cc1ccoc1\C=C\CN Amb33474801 [1,1,0,0,0,0|1,0,1]=4 1277 B10R1.29 Cc1ccoc1\C=C\CO Amb33079472 [1,1,0,0,0,0|0,0,2]=4 1278 B10R1.29 Cc1ccsc1\C=C\C=O Amb33136416 [1,1,0,0,0,0|0,1,0]=3 1279 B10R1.29 Cc1cscc1\C=C\C=O Amb33145868 [1,1,0,0,0,0|2,0,0]=4 1280 B10R1.29 Cc1ncsc1\C=C\C=O Amb33358465 [1,1,0,0,0,0|1,1,0]=4 1281 B10R1.29 Cc1occc1\C=C\C=O Amb33358783 [1,1,0,0,0,0|2,0,0]=4 1282 B10R1.29 Cn1cccc1\C=C\C=O Amb18124458 [1,1,0,0,0,0|1,0,0]=3 1283 B10R1.29 Cn1ccnc1\C=C\C=O Amb33359231 [1,1,0,0,0,0|2,0,0]=4 1284 B10R1.29 Cn1cncc1\C=C\C=O Amb28312849 [1,1,0,0,0,0|2,0,0]=4 1285 B10R1.29 Cn1nccc1\C=C\C=O Amb33080181 [1,1,0,0,0,0|2,0,0]=4 1286 B10R1.29 O=CCCc1occc1Br Amb28194630 [1,1,0,0,0,0|0,0,2]=4 1287 B10R1.29 O=C\C=C\c1occc1Br Amb27839525 [1,1,0,0,0,0|0,0,0]=2 1288 B10R1.29 O=C\C=C\c1sccc1Br Amb33242845 [1,1,0,0,0,0|0,1,0]=3 1289 B10R1.29 O=C\C=C\c1sccc1Cl Amb27847772 [1,1,0,0,0,0|0,1,0]=3 1290 B10R1.29 OC\C=C\c1occc1Br Amb27238915 [1,1,0,0,0,0|0,0,2]=4 1291 B10R1.23 C=C(C(=O)O)c1ccco1 Amb26317937 [0,1,0,0,1,0|1,0,0]=3 1292 B10R1.23 C=C(C(=O)O)c1cccs1 Amb17322162 [0,1,0,0,1,0|1,1,0]=4 1293 B10R1.23 C=C(C(=O)O)c1cnco1 Amb33414803 [0,1,0,0,1,0|2,0,0]=4 1294 B10R1.23 C=C(C)C(=O)c1cccs1 Amb18065371 [0,1,0,0,1,0|1,1,0]=4 1295 B10R1.23 CC(=O)C(=O)c1ccco1 Amb27861166 [0,1,0,0,1,0|0,0,0]=2 1296 B10R1.23 CC(=O)C(=O)c1cccs1 Amb17399955 [0,1,0,0,1,0|0,1,0]=3 1297 B10R1.23 CC(=O)C(=O)c1ccsc1 Amb27872018 [0,1,0,0,1,0|2,0,0]=4 1298 B10R1.23 CC(=O)C(Br)c1ccco1 Amb28315902 [0,1,0,0,1,0|0,0,1]=3 1299 B10R1.23 CC(=O)C(Br)c1cccs1 Amb31193102 [0,1,0,0,1,0|0,1,1]=4 1300 B10R1.23 CC(=O)C(Cl)c1cccs1 Amb17477839 [0,1,0,0,1,0|0,1,1]=4 1301 B10R1.23 CC(=O)C(N)c1ccco1 Amb27170705 [0,1,0,0,1,0|0,0,1]=3 1302 B10R1.23 CC(=O)C(N)c1cccs1 Amb25836886 [0,1,0,0,1,0|0,1,1]=4 1303 B10R1.23 CC(=O)C(O)c1ccco1 Amb26483648 [0,1,0,0,1,0|0,0,1]=3 1304 B10R1.23 CC(=O)C(O)c1cccs1 Amb25146757 [0,1,0,0,1,0|0,1,1]=4 1305 B10R1.23 CC(=O)[C@H](O)c1ccco1 Amb27433154 [0,1,0,0,1,0|0,0,1]=3 1306 B10R1.23 CC(Br)C(=O)c1ccco1 Amb25270634 [0,1,0,0,1,0|1,0,1]=4 1307 B10R1.23 CC(C(=O)O)c1ccco1 Amb17087431 [0,1,0,0,1,0|1,0,1]=4 1308 B10R1.23 CC(C)C(=O)c1ccco1 Amb17231905 [0,1,0,0,1,0|1,0,1]=4 1309 B10R1.23 CC(Cl)C(=O)c1ccco1 Amb17138475 [0,1,0,0,1,0|1,0,1]=4 1310 B10R1.23 CC(N)C(=O)c1ccco1 Amb16767094 [0,1,0,0,1,0|1,0,1]=4 1311 B10R1.23 CC(O)C(=O)c1ccco1 Amb24433295 [0,1,0,0,1,0|0,0,2]=4 1312 B10R1.23 CN(C)C(=O)c1ccco1 Amb3886564 [0,1,0,0,1,0|2,0,0]=4 1313 B10R1.23 CN(O)C(=O)c1ccco1 Amb10572677 [0,1,0,0,1,0|1,0,1]=4 1314 B10R1.23 C[C@@H](N)C(=O)c1ccco1 Amb30024127 [0,1,0,0,1,0|1,0,1]=4 1315 B10R1.23 C[C@H](C(=O)O)c1ccco1 Amb27468877 [0,1,0,0,1,0|1,0,1]=4 1316 B10R1.23 C[C@H](N)C(=O)c1ccco1 Amb33131772 [0,1,0,0,1,0|1,0,1]=4 1317 B10R1.23 NC(=O)C(=O)c1ccco1 Amb9786661 [0,1,0,0,1,0|1,0,0]=3 1318 B10R1.23 NC(=O)C(=O)c1cccs1 Amb28396525 [0,1,0,0,1,0|1,1,0]=4 1319 B10R1.23 NC(=O)C(N)c1ccco1 Amb17334171 [0,1,0,0,1,0|1,0,1]=4 1320 B10R1.23 NC(=O)C(O)c1ccco1 Amb25084322 [0,1,0,0,1,0|1,0,1]=4 1321 B10R1.23 NC(=O)[C@H](O)c1ccco1 Amb27874920 [0,1,0,0,1,0|1,0,1]=4 1322 B10R1.23 NC(=S)C(=O)c1ccco1 Amb27845425 [0,1,0,0,1,0|1,1,0]=4 1323 B10R1.23 NC(C(=O)O)c1ccco1 Amb2696257 [0,1,0,0,1,0|1,0,1]=4 1324 B10R1.23 N[C@H](C(=O)O)c1ccco1 Amb4296942 [0,1,0,0,1,0|1,0,1]=4 1325 B10R1.23 O=C(Cl)C(=O)c1ccco1 Amb28126625 [0,1,0,0,1,0|1,0,0]=3 1326 B10R1.23 O=C(O)C(=O)c1ccco1 Amb9786662 [0,1,0,0,1,0|1,0,0]=3 1327 B10R1.23 O=C(O)C(=O)c1cccs1 Amb3940404 [0,1,0,0,1,0|1,1,0]=4 1328 B10R1.23 O=C(O)C(=O)c1cnco1 Amb33415276 [0,1,0,0,1,0|2,0,0]=4 1329 B10R1.23 O=C(O)C(F)c1ccco1 Amb25825778 [0,1,0,0,1,0|1,0,1]=4 1330 B10R1.23 O=C(O)C(O)c1ccco1 Amb597147 [0,1,0,0,1,0|1,0,1]=4 1331 B10R1.23 O=C([O-])C(=O)c1cccs1 Amb16232244 [0,1,0,0,1,0|1,1,0]=4 1332 B10R1.54 BrC(Br)=Cc1ccc(Br)o1 Amb27617227 [0,1,0,0,1,0|2,0,0]=4 1333 B10R1.54 C=C1C=C\C(=C\C(=O)O)O1 Amb27461481 [0,1,0,0,1,0|1,0,0]=3 1334 B10R1.54 CC(=O)CC1=CC(=O)NO1 Amb25961812 [0,1,0,0,1,0|1,0,1]=4 1335 B10R1.54 CC(=O)Cc1cc(Br)co1 Amb33332649 [0,1,0,0,1,0|0,0,1]=3 1336 B10R1.54 CC(=O)Cc1cc(Br)cs1 Amb26048308 [0,1,0,0,1,0|0,1,1]=4 1337 B10R1.54 CC(=O)Cc1cc(C)cs1 Amb25146717 [0,1,0,0,1,0|0,1,1]=4 1338 B10R1.54 CC(=O)Cc1cc(C)no1 Amb26651822 [0,1,0,0,1,0|1,0,1]=4 1339 B10R1.54 CC(=O)Cc1cc(Cl)cs1 Amb33057519 [0,1,0,0,1,0|0,1,1]=4 1340 B10R1.54 CC(=O)Cc1ccc(Br)o1 Amb26003095 [0,1,0,0,1,0|0,0,1]=3 1341 B10R1.54 CC(=O)Cc1ccc(C)o1 Amb17477800 [0,1,0,0,1,0|0,0,1]=3 1342 B10R1.54 CC(=O)Cc1ccc(C)s1 Amb25146673 [0,1,0,0,1,0|0,1,1]=4 1343 B10R1.54 CC(=O)Cc1ccc(Cl)o1 Amb33258287 [0,1,0,0,1,0|0,0,1]=3 1344 B10R1.54 CC(=O)Cc1ccc(Cl)s1 Amb33531007 [0,1,0,0,1,0|0,1,1]=4 1345 B10R1.54 CC(=O)Cc1cnc(C)o1 Amb28241211 [0,1,0,0,1,0|1,0,1]=4 1346 B10R1.54 CC(=O)Cc1cnc(Cl)o1 Amb27846962 [0,1,0,0,1,0|1,0,1]=4 1347 B10R1.54 CC(=O)NC1C=CC(=O)O1 Amb20246300 [0,1,0,0,1,0|1,0,1]=4 1348 B10R1.54 CC(=O)Nc1cc(I)cs1 Amb23400215 [0,1,0,0,1,0|1,1,0]=4 1349 B10R1.54 CC(=O)Nc1ccc(Br)s1 Amb21864811 [0,1,0,0,1,0|1,1,0]=4 1350 B10R1.54 CC(=O)Nc1ccc(C)s1 Amb23447076 [0,1,0,0,1,0|1,1,0]=4 1351 B10R1.54 CC(=O)OC1C=CC(=O)O1 Amb25367336 [0,1,0,0,1,0|1,0,1]=4 1352 B10R1.54 CC(=O)\C=C1/C=C(C)SS1 Amb27432661 [0,1,0,0,1,0|1,1,0]=4 1353 B10R1.54 CC(=O)\C=C1\C=C(C)SS1 Amb27615129 [0,1,0,0,1,0|1,1,0]=4 1354 B10R1.54 CC(C)\C=C1/C=CC(=O)O1 Amb27239129 [0,1,0,0,1,0|1,0,1]=4 1355 B10R1.54 C\[N+]([O-])=C\c1ccc(Br)o1 Amb27843494 [0,1,0,0,1,0|1,0,1]=4 1356 B10R1.54 Cc1ccc(C=C(Br)Br)o1 Amb26589521 [0,1,0,0,1,0|2,0,0]=4 1357 B10R1.54 Cc1ccc(CC(=O)Cl)o1 Amb27186019 [0,1,0,0,1,0|1,0,1]=4 1358 B10R1.54 Cc1ccc(CC(=O)O)o1 Amb18960367 [0,1,0,0,1,0|1,0,1]=4 1359 B10R1.54 Cc1ccc(CC(N)=O)o1 Amb28457670 [0,1,0,0,1,0|1,0,1]=4 1360 B10R1.54 Cc1ccc(\C=[N+](\C)[O-])o1 Amb27612847 [0,1,0,0,1,0|1,0,1]=4 1361 B10R1.54 Cc1coc(CC(=O)O)c1 Amb18831942 [0,1,0,0,1,0|1,0,1]=4 1362 B10R1.54 Cc1coc(CC(=O)[O-])c1 Amb33299276 [0,1,0,0,1,0|1,0,1]=4 1363 B10R1.54 O=C(O)Cc1cc(Br)co1 Amb33335215 [0,1,0,0,1,0|1,0,1]=4 1364 B10R1.54 O=C(O)Cc1ccc(Br)o1 Amb26028263 [0,1,0,0,1,0|1,0,1]=4 1365 B10R1.54 O=C(O)Cc1ccc(Cl)o1 Amb27868697 [0,1,0,0,1,0|1,0,1]=4 1366 B10R1.54 O=C(O)Cc1ccc(F)o1 Amb25842555 [0,1,0,0,1,0|1,0,1]=4 1367 B10R1.54 O=C(O)Cc1ccc(I)o1 Amb24622567 [0,1,0,0,1,0|1,0,1]=4 1368 B10R1.54 O=C(O)\C=C1/C=CC(=O)O1 Amb18643475 [0,1,0,0,1,0|1,0,0]=3 1369 B10R1.64 CC(=O)Cc1cccn1C Amb25053401 [0,1,0,0,1,0|1,0,1]=4 1370 B10R1.64 CC(=O)Cc1occc1C Amb26431468 [0,1,0,0,1,0|0,0,1]=3 1371 B10R1.64 CC(=O)Cc1oncc1C Amb28052941 [0,1,0,0,1,0|1,0,1]=4 1372 B10R1.64 CC(=O)Cc1sccc1Br Amb27424961 [0,1,0,0,1,0|0,1,1]=4 1373 B10R1.64 CC(=O)Cc1sccc1C Amb17477801 [0,1,0,0,1,0|0,1,1]=4 1374 B10R1.64 CC(=O)Cc1sccc1Cl Amb27632186 [0,1,0,0,1,0|0,1,1]=4 1375 B10R1.64 CC(=O)Nc1ocnc1C Amb27606018 [0,1,0,0,1,0|2,0,0]=4 1376 B10R1.64 CC(=O)Nc1oncc1C Amb27807024 [0,1,0,0,1,0|2,0,0]=4 1377 B10R1.64 CC(=O)Nc1sccc1Br Amb9175394 [0,1,0,0,1,0|1,1,0]=4 1378 B10R1.64 CC(=O)Nc1sccc1Cl Amb23400211 [0,1,0,0,1,0|1,1,0]=4 1379 B10R1.64 CC(=O)Nc1sccc1I Amb23400212 [0,1,0,0,1,0|1,1,0]=4 1380 B10R1.64 CC(=O)Oc1sccc1N Amb10071362 [0,1,0,0,1,0|1,1,0]=4 1381 B10R1.64 Cc1ccoc1CC(=O)O Amb27787871 [0,1,0,0,1,0|1,0,1]=4 1382 B10R1.64 Cc1ccoc1OC(=O)Cl Amb27849264 [0,1,0,0,1,0|2,0,0]=4 1383 B10R1.64 Nc1ccoc1CC(=O)O Amb18202764 [0,1,0,0,1,0|1,0,1]=4 1384 B10R1.64 O=C(O)Cc1occc1Br Amb18176122 [0,1,0,0,1,0|1,0,1]=4 1385 B10R1.64 O=C(O)Cc1occc1Cl Amb27465098 [0,1,0,0,1,0|1,0,1]=4 1386 B10R1.64 O=C(O)\C=C1\CC=CC1=O Amb27473425 [0,1,0,0,1,0|2,0,0]=4 1387 B12R1.21 CC(=O)\C=C\c1cc[n+](C)cc1 Amb4248214 [0,1,0,0,0,1|1,0,0]=3 1388 B12R1.21 CC(=O)\C=C\c1ccc(Br)cc1 Amb534305 [0,1,0,0,0,1|1,0,0]=3 1389 B12R1.21 CC(=O)\C=C\c1ccc(Br)cn1 Amb27803623 [0,1,0,0,0,1|1,0,0]=3 1390 B12R1.21 CC(=O)\C=C\c1ccc(Br)nc1 Amb33388886 [0,1,0,0,0,1|1,0,0]=3 1391 B12R1.21 CC(=O)\C=C\c1ccc(C)cc1 Amb4421820 [0,1,0,0,0,1|1,0,0]=3 1392 B12R1.21 CC(=O)\C=C\c1ccc(C)cn1 Amb24527877 [0,1,0,0,0,1|1,0,0]=3 1393 B12R1.21 CC(=O)\C=C\c1ccc(C)nc1 Amb27487978 [0,1,0,0,0,1|1,0,0]=3 1394 B12R1.21 CC(=O)\C=C\c1ccc(Cl)cc1 Amb33870385 [0,1,0,0,0,1|1,0,0]=3 1395 B12R1.21 CC(=O)\C=C\c1ccc(Cl)cn1 Amb33223976 [0,1,0,0,0,1|1,0,0]=3 1396 B12R1.21 CC(=O)\C=C\c1ccc(Cl)nc1 Amb33261607 [0,1,0,0,0,1|1,0,0]=3 1397 B12R1.21 CC(=O)\C=C\c1ccc(F)cc1 Amb3428861 [0,1,0,0,0,1|1,0,0]=3 1398 B12R1.21 CC(=O)\C=C\c1ccc(F)cn1 Amb33317373 [0,1,0,0,0,1|1,0,0]=3 1399 B12R1.21 CC(=O)\C=C\c1ccc(F)nc1 Amb33425140 [0,1,0,0,0,1|1,0,0]=3 1400 B12R1.21 CC(=O)\C=C\c1ccc(N)cc1 Amb23247750 [0,1,0,0,0,1|1,0,0]=3 1401 B12R1.21 CC(=O)\C=C\c1ccc(O)cc1 Amb6357952 [0,1,0,0,0,1|1,0,0]=3 1402 B12R1.21 CC(=O)\C=C\c1cnc(C)cn1 Amb33376977 [0,1,0,0,0,1|1,0,0]=3 1403 B12R1.21 CC(=O)\C=C\c1ncc(Br)cn1 Amb33335104 [0,1,0,0,0,1|1,0,0]=3 1404 B12R1.21 CC(=O)\C=C\c1ncc(F)cn1 Amb26075862 [0,1,0,0,0,1|1,0,0]=3 1405 B12R1.21 CC(=O)\N=C/c1ccc(Cl)cc1 Amb24073008 [0,1,0,0,0,1|2,0,0]=4 1406 B12R1.21 CS(=O)\C=C/c1ccc(Cl)cc1 Amb24309137 [0,1,0,0,0,1|2,0,0]=4 1407 B12R1.21 Cc1ccc(\C=C/C(=O)O)cc1 Amb27474899 [0,1,0,0,0,1|2,0,0]=4 1408 B12R1.21 Cc1ccc(\C=C/C(N)=O)cc1 Amb27974609 [0,1,0,0,0,1|2,0,0]=4 1409 B12R1.21 Cc1ccc(\C=C\C(=O)Cl)cc1 Amb16230247 [0,1,0,0,0,1|2,0,0]=4 1410 B12R1.21 Cc1ccc(\C=C\C(=O)O)cc1 Amb8513247 [0,1,0,0,0,1|2,0,0]=4 1411 B12R1.21 Cc1ccc(\C=C\C(=O)O)cn1 Amb18645813 [0,1,0,0,0,1|2,0,0]=4 1412 B12R1.21 Cc1ccc(\C=C\C(=O)O)cn1 Amb28555739 [0,1,0,0,0,1|2,0,0]=4 1413 B12R1.21 Cc1ccc(\C=C\C(=O)O)nc1 Amb30584979 [0,1,0,0,0,1|2,0,0]=4 1414 B12R1.21 Cc1ccc(\C=C\C(=O)O)nn1 Amb33470102 [0,1,0,0,0,1|2,0,0]=4 1415 B12R1.21 Cc1cnc(\C=C\C(=O)O)cn1 Amb33223719 [0,1,0,0,0,1|2,0,0]=4 1416 B12R1.21 NC(=O)\C=C/c1ccc(Cl)cc1 Amb17142990 [0,1,0,0,0,1|2,0,0]=4 1417 B12R1.21 NC(=O)\C=C/c1ccc(F)nc1 Amb28437309 [0,1,0,0,0,1|2,0,0]=4 1418 B12R1.21 NC(=O)\C=C/c1ccc(O)nc1 Amb27640274 [0,1,0,0,0,1|2,0,0]=4 1419 B12R1.21 NC(=O)\C=C\c1cc[n+]([O-])cc1 Amb28384346 [0,1,0,0,0,1|2,0,0]=4 1420 B12R1.21 NC(=O)\C=C\c1ccc(Br)cc1 Amb8858355 [0,1,0,0,0,1|2,0,0]=4 1421 B12R1.21 NC(=O)\C=C\c1ccc(Br)nc1 Amb27239372 [0,1,0,0,0,1|2,0,0]=4 1422 B12R1.21 NC(=O)\C=C\c1ccc(Cl)cc1 Amb2720976 [0,1,0,0,0,1|2,0,0]=4 1423 B12R1.21 NC(=O)\C=C\c1ccc(F)cc1 Amb3736713 [0,1,0,0,0,1|2,0,0]=4 1424 B12R1.21 NC(=O)\C=C\c1ccc(I)cc1 Amb24758181 [0,1,0,0,0,1|2,0,0]=4 1425 B12R1.21 Nc1ccc(\C=C/C(=O)O)cn1 Amb28134108 [0,1,0,0,0,1|2,0,0]=4 1426 B12R1.21 Nc1ccc(\C=C\C(=O)O)cc1 Amb30584953 [0,1,0,0,0,1|2,0,0]=4 1427 B12R1.21 Nc1ccc(\C=C\C(=O)O)cn1 Amb19958812 [0,1,0,0,0,1|2,0,0]=4 1428 B12R1.21 O=C(Cl)\C=C\c1ccc(Br)cc1 Amb16230246 [0,1,0,0,0,1|2,0,0]=4 1429 B12R1.21 O=C(Cl)\C=C\c1ccc(Cl)cc1 Amb16186540 [0,1,0,0,0,1|2,0,0]=4 1430 B12R1.21 O=C(Cl)\C=C\c1ccc(F)cc1 Amb2688311 [0,1,0,0,0,1|2,0,0]=4 1431 B12R1.21 O=C(Cl)\C=C\c1ccc(O)cc1 Amb26652435 [0,1,0,0,0,1|2,0,0]=4 1432 B12R1.21 O=C(O)\C=C/c1ccc(Cl)cc1 Amb2553273 [0,1,0,0,0,1|2,0,0]=4 1433 B12R1.21 O=C(O)\C=C/c1ccc(F)cc1 Amb24712642 [0,1,0,0,0,1|2,0,0]=4 1434 B12R1.21 O=C(O)\C=C\C1=NNC(=O)C=C1 Amb18212061 [0,1,0,0,0,1|2,0,0]=4 1435 B12R1.21 O=C(O)\C=C\c1ccc(Br)cc1 Amb33714741 [0,1,0,0,0,1|2,0,0]=4 1436 B12R1.21 O=C(O)\C=C\c1ccc(Br)cc1 Amb8517406 [0,1,0,0,0,1|2,0,0]=4 1437 B12R1.21 O=C(O)\C=C\c1ccc(Br)cn1 Amb24593980 [0,1,0,0,0,1|2,0,0]=4 1438 B12R1.21 O=C(O)\C=C\c1ccc(Br)nc1 Amb33451134 [0,1,0,0,0,1|2,0,0]=4 1439 B12R1.21 O=C(O)\C=C\c1ccc(Cl)cc1 Amb6608688 [0,1,0,0,0,1|2,0,0]=4 1440 B12R1.21 O=C(O)\C=C\c1ccc(Cl)cn1 Amb26946002 [0,1,0,0,0,1|2,0,0]=4 1441 B12R1.21 O=C(O)\C=C\c1ccc(Cl)nc1 Amb22002669 [0,1,0,0,0,1|2,0,0]=4 1442 B12R1.21 O=C(O)\C=C\c1ccc(F)cc1 Amb6608746 [0,1,0,0,0,1|2,0,0]=4 1443 B12R1.21 O=C(O)\C=C\c1ccc(F)cn1 Amb21962831 [0,1,0,0,0,1|2,0,0]=4 1444 B12R1.21 O=C(O)\C=C\c1ccc(F)cn1 Amb33171971 [0,1,0,0,0,1|2,0,0]=4 1445 B12R1.21 O=C(O)\C=C\c1ccc(F)nc1 Amb32645871 [0,1,0,0,0,1|2,0,0]=4 1446 B12R1.21 O=C(O)\C=C\c1ccc(I)cc1 Amb24079623 [0,1,0,0,0,1|2,0,0]=4 1447 B12R1.21 O=C(O)\C=C\c1ccc(I)cc1 Amb35826750 [0,1,0,0,0,1|2,0,0]=4 1448 B12R1.21 O=C(O)\C=C\c1ccc(O)cc1 Amb1207922 [0,1,0,0,0,1|2,0,0]=4 1449 B12R1.21 O=C(O)\C=C\c1ccc(O)nc1 Amb25111280 [0,1,0,0,0,1|2,0,0]=4 1450 B12R1.21 O=C(O)\C=C\c1ncc(Br)cn1 Amb33470108 [0,1,0,0,0,1|2,0,0]=4 1451 B12R1.27 C=C(\C=C\c1ccccc1)CBr Amb33081080 [0,1,0,0,0,1|2,0,0]=4 1452 B12R1.27 C=C(\C=C\c1ccccc1)CCl Amb33081096 [0,1,0,0,0,1|2,0,0]=4 1453 B12R1.27 C=C(\C=C\c1ccccc1)CN Amb33080787 [0,1,0,0,0,1|2,0,0]=4 1454 B12R1.27 C=CC(=O)\C=C\c1ccccc1 Amb33503118 [0,1,0,0,0,1|1,0,1]=4 1455 B12R1.27 CC(C=O)\C=C\c1ccccc1 Amb33081219 [0,1,0,0,0,1|1,0,1]=4 1456 B12R1.27 CC(\C=C\c1ccccc1)=N/O Amb24101081 [0,1,0,0,0,1|1,0,1]=4 1457 B12R1.27 CC(\C=C\c1ccccc1)=N\O Amb27204245 [0,1,0,0,0,1|1,0,1]=4 1458 B12R1.27 CCC(=O)\C=C\c1ccccc1 Amb10565332 [0,1,0,0,0,1|1,0,0]=3 1459 B12R1.27 CCC(=O)\C=C\c1ccncc1 Amb25962375 [0,1,0,0,0,1|1,0,0]=3 1460 B12R1.27 CNC(=O)\C=C\C1CCC=CO1 Amb27774675 [0,1,0,0,0,1|0,0,2]=4 1461 B12R1.27 CNC(=O)\C=C\c1ccncc1 Amb28454984 [0,1,0,0,0,1|1,0,0]=3 1462 B12R1.27 COC(=O)\C=C\c1ccccc1 Amb33716217 [0,1,0,0,0,1|1,0,0]=3 1463 B12R1.27 COC(=O)\C=C\c1ccccc1 Amb8515074 [0,1,0,0,0,1|1,0,0]=3 1464 B12R1.27 COC(=O)\C=C\c1ccccn1 Amb25036096 [0,1,0,0,0,1|1,0,0]=3 1465 B12R1.27 COC(=O)\C=C\c1cccnc1 Amb17844385 [0,1,0,0,0,1|1,0,0]=3 1466 B12R1.27 COC(=O)\C=C\c1ccncc1 Amb20668041 [0,1,0,0,0,1|1,0,0]=3 1467 B12R1.27 COC(=O)\C=C\c1ccncc1 Amb24074160 [0,1,0,0,0,1|1,0,0]=3 1468 B12R1.27 COC(=O)\C=C\c1ccncn1 Amb28069217 [0,1,0,0,0,1|1,0,0]=3 1469 B12R1.27 COC(=O)\C=C\c1cnccn1 Amb22524637 [0,1,0,0,0,1|1,0,0]=3 1470 B12R1.27 COC(=O)\C=C\c1cncnc1 Amb2698637 [0,1,0,0,0,1|2,0,0]=4 1471 B12R1.27 COC(=O)\C=C\c1ncccn1 Amb25337205 [0,1,0,0,0,1|1,0,0]=3 1472 B12R1.27 C\C(C=O)=C/Nc1ccccc1 Amb18645511 [0,1,0,0,0,1|2,0,0]=4 1473 B12R1.27 NCC(=O)\C=C\c1ccccc1 Amb32954851 [0,1,0,0,0,1|1,0,0]=3 1474 B12R1.27 NNC(=O)\C=C\c1ccccc1 Amb9817076 [0,1,0,0,0,1|2,0,0]=4 1475 B12R1.27 NNC(=O)\C=C\c1cccnc1 Amb2612884 [0,1,0,0,0,1|2,0,0]=4 1476 B12R1.27 NNC(=O)\C=C\c1ccncc1 Amb26611701 [0,1,0,0,0,1|2,0,0]=4 1477 B12R1.27 O=C(\C=C\c1ccccc1)CBr Amb17596167 [0,1,0,0,0,1|1,0,0]=3 1478 B12R1.27 O=C(\C=C\c1ccccc1)CCl Amb17594640 [0,1,0,0,0,1|1,0,0]=3 1479 B12R1.27 O=C(\C=C\c1ccccc1)N[O-] Amb27185829 [0,1,0,0,0,1|2,0,0]=4 1480 B12R1.27 O=C(\C=C\c1ccccn1)NO Amb28370532 [0,1,0,0,0,1|2,0,0]=4 1481 B12R1.27 O=C(\C=C\c1cccnc1)NO Amb28140433 [0,1,0,0,0,1|2,0,0]=4 1482 B12R1.43 CC(=O)C(=O)Cc1ccccc1 Amb23603619 [0,1,0,0,0,1|1,0,1]=4 1483 B12R1.43 CC(=O)C(=O)Cc1ccccn1 Amb26923275 [0,1,0,0,0,1|1,0,1]=4 1484 B12R1.43 CC(=O)C(=O)Cc1cccnc1 Amb24556780 [0,1,0,0,0,1|1,0,1]=4 1485 B12R1.43 CC(=O)C(=O)Cc1ccncc1 Amb24555440 [0,1,0,0,0,1|1,0,1]=4 1486 B12R1.43 CC(=O)C(=O)Nc1ccccc1 Amb2383839 [0,1,0,0,0,1|2,0,0]=4 1487 B12R1.43 CC(=O)C(=O)Nc1cccnc1 Amb28319843 [0,1,0,0,0,1|2,0,0]=4 1488 B12R1.43 CC(=O)\C(Br)=C\c1ccccc1 Amb17596166 [0,1,0,0,0,1|1,0,0]=3 1489 B12R1.43 CC(=O)\C(C)=C\c1ccccc1 Amb17594004 [0,1,0,0,0,1|1,0,0]=3 1490 B12R1.43 CC(=O)\C(C)=C\c1cccnc1 Amb25373091 [0,1,0,0,0,1|1,0,0]=3 1491 B12R1.43 CC(=O)\C(C)=C\c1cnccn1 Amb35601037 [0,1,0,0,0,1|1,0,0]=3 1492 B12R1.43 CC(=O)\C(C)=N\c1ccccc1 Amb24537849 [0,1,0,0,0,1|2,0,0]=4 1493 B12R1.43 C\C(=C/c1ccccc1)C(=O)Cl Amb24061289 [0,1,0,0,0,1|2,0,0]=4 1494 B12R1.43 C\C(=C/c1ccccc1)C(=O)O Amb8513246 [0,1,0,0,0,1|2,0,0]=4 1495 B12R1.43 C\C(=C/c1ccccn1)C(=O)O Amb30584914 [0,1,0,0,0,1|2,0,0]=4 1496 B12R1.43 C\C(=C/c1ccccn1)C(=O)O Amb33995393 [0,1,0,0,0,1|2,0,0]=4 1497 B12R1.43 C\C(=C/c1cccnc1)C(=O)O Amb30584915 [0,1,0,0,0,1|2,0,0]=4 1498 B12R1.43 C\C(=C/c1cccnc1)C(=O)O Amb5743927 [0,1,0,0,0,1|2,0,0]=4 1499 B12R1.43 C\C(=C/c1ccncc1)C(=O)O Amb30584913 [0,1,0,0,0,1|2,0,0]=4 1500 B12R1.43 C\C(=C/c1ccncc1)C(=O)O Amb5743928 [0,1,0,0,0,1|2,0,0]=4 1501 B12R1.43 C\C(=C\c1ccccc1)C(=O)O Amb24603461 [0,1,0,0,0,1|2,0,0]=4 1502 B12R1.43 C\C(=C\c1cccnc1)C(=O)O Amb27837141 [0,1,0,0,0,1|2,0,0]=4 1503 B12R1.43 C\C(=C\c1ccncc1)C(=O)O Amb27882270 [0,1,0,0,0,1|2,0,0]=4 1504 B12R1.43 C\C(=C\c1cnccn1)C(=O)O Amb27622051 [0,1,0,0,0,1|2,0,0]=4 1505 B12R1.43 NC(=O)\C(Cl)=C\c1ccccc1 Amb3724521 [0,1,0,0,0,1|2,0,0]=4 1506 B12R1.43 N\C(=C/c1ccccc1)C(=O)O Amb24081025 [0,1,0,0,0,1|2,0,0]=4 1507 B12R1.43 N\C(=C/c1ccncn1)C(=O)O Amb24390213 [0,1,0,0,0,1|2,0,0]=4 1508 B12R1.43 N\C(=C\c1ccccc1)C(=O)O Amb27148014 [0,1,0,0,0,1|2,0,0]=4 1509 B12R1.43 N\C(=C\c1ccccn1)C(=O)O Amb27770994 [0,1,0,0,0,1|2,0,0]=4 1510 B12R1.43 N\C(=C\c1cnccn1)C(=O)O Amb27624449 [0,1,0,0,0,1|2,0,0]=4 1511 B12R1.43 O=C(Cl)\C(F)=C/c1ccccc1 Amb27416385 [0,1,0,0,0,1|2,0,0]=4 1512 B12R1.43 O=C(O)\C(Br)=C\c1ccccc1 Amb2794045 [0,1,0,0,0,1|2,0,0]=4 1513 B12R1.43 O=C(O)\C(Cl)=C/c1ccccc1 Amb18648695 [0,1,0,0,0,1|2,0,0]=4 1514 B12R1.43 O=C(O)\C(Cl)=C\c1ccccc1 Amb19651416 [0,1,0,0,0,1|2,0,0]=4 1515 B12R1.43 O=C(O)\C(Cl)=C\c1cccnc1 Amb26448364 [0,1,0,0,0,1|2,0,0]=4 1516 B12R1.43 O=C(O)\C(F)=C\c1ccccc1 Amb24093652 [0,1,0,0,0,1|2,0,0]=4 1517 B12R1.43 O=C(O)\C(F)=C\c1ccccn1 Amb27977069 [0,1,0,0,0,1|2,0,0]=4 1518 B12R1.43 O=C(O)\C(F)=C\c1cccnc1 Amb17614474 [0,1,0,0,0,1|2,0,0]=4 1519 B12R1.43 O=C(O)\C(F)=C\c1cccnc1 Amb31339126 [0,1,0,0,0,1|2,0,0]=4 1520 B12R1.43 O=C(O)\C(F)=C\c1cnccn1 Amb35600945 [0,1,0,0,0,1|2,0,0]=4 1521 B12R1.43 O=C(O)\C(S)=C/c1ccccc1 Amb2550972 [0,1,0,0,0,1|2,0,0]=4 1522 B12R1.43 O=C(O)\C(S)=C\c1ccccc1 Amb1250109 [0,1,0,0,0,1|2,0,0]=4 1523 B12R1.43 O=C(O)\C(S)=C\c1ccccn1 Amb1761004 [0,1,0,0,0,1|2,0,0]=4 1524 B12R1.43 O=C(O)\C(S)=C\c1ccncc1 Amb1761003 [0,1,0,0,0,1|2,0,0]=4 1525 B12R1.107 C=C(CC(C)=O)c1ccccc1 Amb27802448 [0,1,0,0,0,1|1,0,1]=4 1526 B12R1.107 C=C(NC(C)=O)c1ccccc1 Amb8394362 [0,1,0,0,0,1|2,0,0]=4 1527 B12R1.107 C=C(NC(C)=O)c1ccccn1 Amb28243818 [0,1,0,0,0,1|2,0,0]=4 1528 B12R1.107 CC(=O)CC(=O)c1ccccc1 Amb534154 [0,1,0,0,0,1|1,0,1]=4 1529 B12R1.107 CC(=O)CC(=O)c1ccccn1 Amb9204928 [0,1,0,0,0,1|1,0,1]=4 1530 B12R1.107 CC(=O)CC(=O)c1cccnc1 Amb33528506 [0,1,0,0,0,1|1,0,1]=4 1531 B12R1.107 CC(=O)CC(=O)c1ccncc1 Amb9204940 [0,1,0,0,0,1|1,0,1]=4 1532 B12R1.107 CC(=O)CC(=O)c1ccncn1 Amb27425231 [0,1,0,0,0,1|1,0,1]=4 1533 B12R1.107 CC(=O)CC(=O)c1cnccn1 Amb25283404 [0,1,0,0,0,1|1,0,1]=4 1534 B12R1.107 CC(=O)CC(=O)c1ncccn1 Amb27763277 [0,1,0,0,0,1|1,0,1]=4 1535 B12R1.107 CC(=O)NC(=O)c1cnccn1 Amb16231284 [0,1,0,0,0,1|2,0,0]=4 1536 B12R1.107 CC(=O)\C=C(/N)c1ccncc1 Amb27616615 [0,1,0,0,0,1|1,0,0]=3 1537 B12R1.107 CC(=O)\C=C(/O)c1ccccn1 Amb24309430 [0,1,0,0,0,1|1,0,0]=3 1538 B12R1.107 CC(=O)\C=C(\C)c1ccncn1 Amb27803171 [0,1,0,0,0,1|1,0,0]=3 1539 B12R1.107 CC(=O)\C=C(\C)c1cnccn1 Amb28124096 [0,1,0,0,0,1|1,0,0]=3 1540 B12R1.107 CC(=O)\C=C(\N)c1cccnc1 Amb27875125 [0,1,0,0,0,1|1,0,0]=3 1541 B12R1.107 CC(=O)\C=C(\S)c1ccccc1 Amb27428395 [0,1,0,0,0,1|1,0,0]=3 1542 B12R1.107 CC(=O)\N=C(\N)c1ccccc1 Amb25150972 [0,1,0,0,0,1|2,0,0]=4 1543 B12R1.107 CC(C)=CC(=O)c1ccccc1 Amb10874044 [0,1,0,0,0,1|2,0,0]=4 1544 B12R1.107 CC(C)=CC(=O)c1cnccn1 Amb27810605 [0,1,0,0,0,1|2,0,0]=4 1545 B12R1.107 C\C(=C/C(=O)O)c1ccccc1 Amb6749182 [0,1,0,0,0,1|2,0,0]=4 1546 B12R1.107 C\C(=C/C(=O)O)c1cccnc1 Amb26839028 [0,1,0,0,0,1|2,0,0]=4 1547 B12R1.107 C\C(=C/C(=O)O)c1ccncc1 Amb34203576 [0,1,0,0,0,1|2,0,0]=4 1548 B12R1.107 C\C(=C/C(=O)O)c1cnccn1 Amb33292425 [0,1,0,0,0,1|2,0,0]=4 1549 B12R1.107 C\C(=C/C(N)=O)c1ccccc1 Amb24648875 [0,1,0,0,0,1|2,0,0]=4 1550 B12R1.107 C\C(=C\C(=O)O)c1ccccn1 Amb24393080 [0,1,0,0,0,1|2,0,0]=4 1551 B12R1.107 C\C(=C\C(=O)O)c1cccnc1 Amb20626498 [0,1,0,0,0,1|2,0,0]=4 1552 B12R1.107 C\C(=C\C(=O)O)c1ccncc1 Amb20626499 [0,1,0,0,0,1|2,0,0]=4 1553 B12R1.107 C\C(=C\C(=O)O)c1cnccn1 Amb27825968 [0,1,0,0,0,1|2,0,0]=4 1554 B12R1.107 C\C(N)=C/C(=O)c1ccccc1 Amb27666841 [0,1,0,0,0,1|2,0,0]=4 1555 B12R1.107 C\C(N)=C/C(=O)c1ccccn1 Amb10242646 [0,1,0,0,0,1|2,0,0]=4 1556 B12R1.107 C\C(N)=C\C(=O)c1ccccc1 Amb2386640 [0,1,0,0,0,1|2,0,0]=4 1557 B12R1.107 C\C(N)=C\C(=O)c1cccnc1 Amb28052006 [0,1,0,0,0,1|2,0,0]=4 1558 B12R1.107 C\C(N)=C\C(=O)c1ccncc1 Amb26338235 [0,1,0,0,0,1|2,0,0]=4 1559 B12R1.107 NC(=O)\C=C(\O)c1cccnc1 Amb28291337 [0,1,0,0,0,1|2,0,0]=4 1560 B12R1.107 NC(=O)\C=C(\O)c1ccncc1 Amb27165220 [0,1,0,0,0,1|2,0,0]=4 1561 B12R1.107 NC(=O)\C=C(\S)c1ccccc1 Amb27862500 [0,1,0,0,0,1|2,0,0]=4 1562 B12R1.107 O=C(O)\C=C(/Cl)c1ccccc1 Amb17594707 [0,1,0,0,0,1|2,0,0]=4 1563 B12R1.107 O=C(O)\C=C(/I)c1ccccc1 Amb33620462 [0,1,0,0,0,1|2,0,0]=4 1564 B12R1.107 O=C(O)\C=C(\O)c1ccccc1 Amb28052099 [0,1,0,0,0,1|2,0,0]=4 1565 B12R1.125 C=C(C)\C=C\c1ccccc1N Amb27627468 [0,1,0,0,0,1|2,0,0]=4 1566 B12R1.125 C=C(C)\C=C\c1ccccc1O Amb25915366 [0,1,0,0,0,1|2,0,0]=4 1567 B12R1.125 CC(=O)C\C=C1/C=CCOC1C Amb27176086 [0,1,0,0,0,1|0,0,2]=4 1568 B12R1.125 CC(=O)\C=C\C1=CC=CNC1=O Amb25780424 [0,1,0,0,0,1|1,0,0]=3 1569 B12R1.125 CC(=O)\C=C\c1cccc[n+]1C Amb3428953 [0,1,0,0,0,1|1,0,0]=3 1570 B12R1.125 CC(=O)\C=C\c1ccccc1Br Amb18068027 [0,1,0,0,0,1|1,0,0]=3 1571 B12R1.125 CC(=O)\C=C\c1ccccc1C Amb32954781 [0,1,0,0,0,1|1,0,0]=3 1572 B12R1.125 CC(=O)\C=C\c1ccccc1Cl Amb2724535 [0,1,0,0,0,1|1,0,0]=3 1573 B12R1.125 CC(=O)\C=C\c1ccccc1F Amb18563599 [0,1,0,0,0,1|1,0,0]=3 1574 B12R1.125 CC(=O)\C=C\c1ccccc1N Amb25975457 [0,1,0,0,0,1|1,0,0]=3 1575 B12R1.125 CC(=O)\C=C\c1ccccc1O Amb24065680 [0,1,0,0,0,1|1,0,0]=3 1576 B12R1.125 CC(=O)\C=C\c1cccnc1Br Amb33388125 [0,1,0,0,0,1|1,0,0]=3 1577 B12R1.125 CC(=O)\C=C\c1cccnc1C Amb32878339 [0,1,0,0,0,1|1,0,0]=3 1578 B12R1.125 CC(=O)\C=C\c1cccnc1Cl Amb33257396 [0,1,0,0,0,1|1,0,0]=3 1579 B12R1.125 CC(=O)\C=C\c1cccnc1F Amb33377142 [0,1,0,0,0,1|1,0,0]=3 1580 B12R1.125 CC(=O)\C=C\c1ccncc1Br Amb33388703 [0,1,0,0,0,1|1,0,0]=3 1581 B12R1.125 CC(=O)\C=C\c1ccncc1C Amb33426426 [0,1,0,0,0,1|1,0,0]=3 1582 B12R1.125 CC(=O)\C=C\c1ccncc1Cl Amb33413822 [0,1,0,0,0,1|1,0,0]=3 1583 B12R1.125 CC(=O)\C=C\c1ccncc1F Amb33316817 [0,1,0,0,0,1|1,0,0]=3 1584 B12R1.125 CC(=O)\C=C\c1cnccc1C Amb33474389 [0,1,0,0,0,1|1,0,0]=3 1585 B12R1.125 CC(=O)\C=C\c1cncnc1C Amb33149095 [0,1,0,0,0,1|2,0,0]=4 1586 B12R1.125 CC(=O)\C=C\c1ncccc1Br Amb33336115 [0,1,0,0,0,1|1,0,0]=3 1587 B12R1.125 CC(=O)\C=C\c1ncccc1C Amb33360223 [0,1,0,0,0,1|1,0,0]=3 1588 B12R1.125 CC(=O)\C=C\c1ncccc1F Amb33419610 [0,1,0,0,0,1|1,0,0]=3 1589 B12R1.125 CC(=O)\C=C\c1nccnc1C Amb35601038 [0,1,0,0,0,1|1,0,0]=3 1590 B12R1.125 CC(=O)\N=C/c1ccccc1Cl Amb27616938 [0,1,0,0,0,1|2,0,0]=4 1591 B12R1.125 CC(=O)\N=C\c1ccccc1O Amb27592432 [0,1,0,0,0,1|2,0,0]=4 1592 B12R1.125 CS(=O)\C=C/c1ccccc1N Amb28254539 [0,1,0,0,0,1|2,0,0]=4 1593 B12R1.125 Cc1ccccc1\C=C/C(=O)O Amb27871584 [0,1,0,0,0,1|2,0,0]=4 1594 B12R1.125 Cc1ccccc1\C=C\C(=O)Cl Amb2690621 [0,1,0,0,0,1|2,0,0]=4 1595 B12R1.125 Cc1ccccc1\C=C\C(=O)O Amb6555165 [0,1,0,0,0,1|2,0,0]=4 1596 B12R1.125 Cc1ccccc1\C=C\C(N)=O Amb8997714 [0,1,0,0,0,1|2,0,0]=4 1597 B12R1.125 Cc1cccnc1\C=C\C(=O)O Amb30584981 [0,1,0,0,0,1|2,0,0]=4 1598 B12R1.125 Cc1cccnc1\C=C\C(=O)O Amb32990226 [0,1,0,0,0,1|2,0,0]=4 1599 B12R1.125 Cc1cccnc1\C=C\C(N)=O Amb28127171 [0,1,0,0,0,1|2,0,0]=4 1600 B12R1.125 Cc1ccncc1\C=C\C(=O)O Amb17844101 [0,1,0,0,0,1|2,0,0]=4 1601 B12R1.125 Cc1ccncc1\C=C\C(=O)O Amb32718732 [0,1,0,0,0,1|2,0,0]=4 1602 B12R1.125 Cc1cnccc1\C=C\C(=O)O Amb30584980 [0,1,0,0,0,1|2,0,0]=4 1603 B12R1.125 Cc1ncccc1\C=C\C(=O)O Amb28653059 [0,1,0,0,0,1|2,0,0]=4 1604 B12R1.125 Cc1ncccc1\C=C\C(=O)O Amb32662803 [0,1,0,0,0,1|2,0,0]=4 1605 B12R1.125 Cc1nccnc1\C=C\C(=O)O Amb35600937 [0,1,0,0,0,1|2,0,0]=4 1606 B12R1.125 NC(=O)\C=C\c1ccccc1Br Amb8997717 [0,1,0,0,0,1|2,0,0]=4 1607 B12R1.125 NC(=O)\C=C\c1ccccc1F Amb8997697 [0,1,0,0,0,1|2,0,0]=4 1608 B12R1.125 NC(=O)\C=C\c1ccccc1I Amb26608900 [0,1,0,0,0,1|2,0,0]=4 1609 B12R1.125 NC(=O)\C=C\c1ccccc1N Amb28202728 [0,1,0,0,0,1|2,0,0]=4 1610 B12R1.125 NC(=O)\C=C\c1ccccc1O Amb18645808 [0,1,0,0,0,1|2,0,0]=4 1611 B12R1.125 NC(=O)\C=C\c1cnccc1N Amb27878871 [0,1,0,0,0,1|2,0,0]=4 1612 B12R1.125 Nc1ccccc1\C=C\C(=O)O Amb17777291 [0,1,0,0,0,1|2,0,0]=4 1613 B12R1.125 Nc1cnccc1\C=C\C(=O)O Amb4560900 [0,1,0,0,0,1|2,0,0]=4 1614 B12R1.125 Nc1ncccc1\C=C\C(=O)O Amb2697575 [0,1,0,0,0,1|2,0,0]=4 1615 B12R1.125 O=C(Cl)\C=C/c1ccccc1Cl Amb10070071 [0,1,0,0,0,1|2,0,0]=4 1616 B12R1.125 O=C(Cl)\C=C\c1ccccc1Br Amb16230254 [0,1,0,0,0,1|2,0,0]=4 1617 B12R1.125 O=C(Cl)\C=C\c1ccccc1Cl Amb8629219 [0,1,0,0,0,1|2,0,0]=4 1618 B12R1.125 O=C(Cl)\C=C\c1ccccc1F Amb2688309 [0,1,0,0,0,1|2,0,0]=4 1619 B12R1.125 O=C(O)\C=C\c1ccccc1Br Amb33718813 [0,1,0,0,0,1|2,0,0]=4 1620 B12R1.125 O=C(O)\C=C\c1ccccc1Br Amb6664185 [0,1,0,0,0,1|2,0,0]=4 1621 B12R1.125 O=C(O)\C=C\c1ccccc1Cl Amb6336512 [0,1,0,0,0,1|2,0,0]=4 1622 B12R1.125 O=C(O)\C=C\c1ccccc1F Amb6545502 [0,1,0,0,0,1|2,0,0]=4 1623 B12R1.125 O=C(O)\C=C\c1ccccc1I Amb22584152 [0,1,0,0,0,1|2,0,0]=4 1624 B12R1.125 O=C(O)\C=C\c1ccccc1O Amb8513188 [0,1,0,0,0,1|2,0,0]=4 1625 B12R1.125 O=C(O)\C=C\c1cccnc1Br Amb33451204 [0,1,0,0,0,1|2,0,0]=4 1626 B12R1.125 O=C(O)\C=C\c1cccnc1F Amb33473819 [0,1,0,0,0,1|2,0,0]=4 1627 B12R1.125 O=C(O)\C=C\c1ccncc1Br Amb18659757 [0,1,0,0,0,1|2,0,0]=4 1628 B12R1.125 O=C(O)\C=C\c1ccncc1Cl Amb33261635 [0,1,0,0,0,1|2,0,0]=4 1629 B12R1.125 O=C(O)\C=C\c1ccncc1F Amb26946507 [0,1,0,0,0,1|2,0,0]=4 1630 B12R1.125 O=C(O)\C=C\c1cnccc1O Amb18646198 [0,1,0,0,0,1|2,0,0]=4 1631 B12R1.125 O=C(O)\C=C\c1ncccc1Br Amb25975550 [0,1,0,0,0,1|2,0,0]=4 1632 B12R1.125 O=C(O)\C=C\c1ncccc1Cl Amb26552463 [0,1,0,0,0,1|2,0,0]=4 1633 B12R1.125 O=C(O)\C=C\c1ncccc1F Amb32662908 [0,1,0,0,0,1|2,0,0]=4 1634 B12R1.125 O=C(O)\C=C\c1ncncc1Br Amb33470080 [0,1,0,0,0,1|2,0,0]=4 1635 B12R1.226 CC(=O)\C=C\[C@H]1CC=CC(=O)O1 Amb28285899 [0,1,0,0,0,1|0,0,1]=3 1636 B12R1.226 CC(=O)\C=C\c1cc(C)ccn1 Amb33317813 [0,1,0,0,0,1|1,0,0]=3 1637 B12R1.226 CC(=O)\C=C\c1cc(F)ccn1 Amb33325518 [0,1,0,0,0,1|1,0,0]=3 1638 B12R1.226 CC(=O)\C=C\c1cccc(Br)c1 Amb10601440 [0,1,0,0,0,1|1,0,0]=3 1639 B12R1.226 CC(=O)\C=C\c1cccc(Br)n1 Amb25233145 [0,1,0,0,0,1|1,0,0]=3 1640 B12R1.226 CC(=O)\C=C\c1cccc(C)c1 Amb33079187 [0,1,0,0,0,1|1,0,0]=3 1641 B12R1.226 CC(=O)\C=C\c1cccc(C)n1 Amb33474924 [0,1,0,0,0,1|1,0,0]=3 1642 B12R1.226 CC(=O)\C=C\c1cccc(Cl)c1 Amb2724236 [0,1,0,0,0,1|1,0,0]=3 1643 B12R1.226 CC(=O)\C=C\c1cccc(Cl)n1 Amb33222648 [0,1,0,0,0,1|1,0,0]=3 1644 B12R1.226 CC(=O)\C=C\c1cccc(F)c1 Amb18563600 [0,1,0,0,0,1|1,0,0]=3 1645 B12R1.226 CC(=O)\C=C\c1cccc(N)c1 Amb23247751 [0,1,0,0,0,1|1,0,0]=3 1646 B12R1.226 CC(=O)\C=C\c1cccc(O)c1 Amb17615740 [0,1,0,0,0,1|1,0,0]=3 1647 B12R1.226 CC(=O)\C=C\c1ccnc(C)c1 Amb33172588 [0,1,0,0,0,1|1,0,0]=3 1648 B12R1.226 CC(=O)\C=C\c1cncc(Br)c1 Amb33430082 [0,1,0,0,0,1|1,0,0]=3 1649 B12R1.226 CC(=O)\C=C\c1cncc(C)c1 Amb33317647 [0,1,0,0,0,1|1,0,0]=3 1650 B12R1.226 CC(=O)\C=C\c1cncc(F)c1 Amb33195632 [0,1,0,0,0,1|1,0,0]=3 1651 B12R1.226 Cc1cc(\C=C\C(=O)O)ccn1 Amb32953957 [0,1,0,0,0,1|2,0,0]=4 1652 B12R1.226 Cc1cc(\C=C\C(=O)O)ncn1 Amb27224407 [0,1,0,0,0,1|2,0,0]=4 1653 B12R1.226 Cc1cc(\C=C\C(N)=O)ccn1 Amb27445433 [0,1,0,0,0,1|2,0,0]=4 1654 B12R1.226 Cc1cccc(\C=C/C(N)=O)c1 Amb27490834 [0,1,0,0,0,1|2,0,0]=4 1655 B12R1.226 Cc1cccc(\C=C\C(=O)Cl)c1 Amb33513162 [0,1,0,0,0,1|2,0,0]=4 1656 B12R1.226 Cc1cccc(\C=C\C(=O)O)c1 Amb2720533 [0,1,0,0,0,1|2,0,0]=4 1657 B12R1.226 Cc1cccc(\C=C\C(=O)O)n1 Amb10669513 [0,1,0,0,0,1|2,0,0]=4 1658 B12R1.226 Cc1cccc(\C=C\C(=O)[O-])c1 Amb33513024 [0,1,0,0,0,1|2,0,0]=4 1659 B12R1.226 Cc1ccnc(\C=C\C(=O)O)c1 Amb33079454 [0,1,0,0,0,1|2,0,0]=4 1660 B12R1.226 Cc1ccnc(\C=C\C(N)=O)c1 Amb28421771 [0,1,0,0,0,1|2,0,0]=4 1661 B12R1.226 Cc1cncc(\C=C\C(=O)O)c1 Amb22059615 [0,1,0,0,0,1|2,0,0]=4 1662 B12R1.226 Cc1nccc(\C=C\C(=O)O)n1 Amb23592256 [0,1,0,0,0,1|2,0,0]=4 1663 B12R1.226 NC(=O)\C=C\c1cccc(Br)c1 Amb8997726 [0,1,0,0,0,1|2,0,0]=4 1664 B12R1.226 NC(=O)\C=C\c1cccc(F)c1 Amb8997747 [0,1,0,0,0,1|2,0,0]=4 1665 B12R1.226 NC(=O)\C=C\c1cccc(I)c1 Amb25338405 [0,1,0,0,0,1|2,0,0]=4 1666 B12R1.226 NC(=O)\C=C\c1cccc(O)c1 Amb27854413 [0,1,0,0,0,1|2,0,0]=4 1667 B12R1.226 NC(=O)\C=C\c1ccnc(Br)c1 Amb24451667 [0,1,0,0,0,1|2,0,0]=4 1668 B12R1.226 NC(=O)\C=C\c1ccnc(Cl)c1 Amb27598185 [0,1,0,0,0,1|2,0,0]=4 1669 B12R1.226 NC(=O)\C=C\c1cncc(O)c1 Amb27178630 [0,1,0,0,0,1|2,0,0]=4 1670 B12R1.226 Nc1cccc(\C=C\C(=O)O)c1 Amb34916041 [0,1,0,0,0,1|2,0,0]=4 1671 B12R1.226 Nc1cncc(\C=C\C(=O)O)c1 Amb27840658 [0,1,0,0,0,1|2,0,0]=4 1672 B12R1.226 O=C(Cl)\C=C\c1cccc(Br)c1 Amb17145216 [0,1,0,0,0,1|2,0,0]=4 1673 B12R1.226 O=C(Cl)\C=C\c1cccc(Cl)c1 Amb16230245 [0,1,0,0,0,1|2,0,0]=4 1674 B12R1.226 O=C(Cl)\C=C\c1cccc(O)c1 Amb26344668 [0,1,0,0,0,1|2,0,0]=4 1675 B12R1.226 O=C(O)\C=C\C1=CC=CC(=O)N1 Amb25705720 [0,1,0,0,0,1|2,0,0]=4 1676 B12R1.226 O=C(O)\C=C\c1cc(Cl)ccn1 Amb33469130 [0,1,0,0,0,1|2,0,0]=4 1677 B12R1.226 O=C(O)\C=C\c1cc(F)ccn1 Amb33414575 [0,1,0,0,0,1|2,0,0]=4 1678 B12R1.226 O=C(O)\C=C\c1cccc(Br)c1 Amb1207365 [0,1,0,0,0,1|2,0,0]=4 1679 B12R1.226 O=C(O)\C=C\c1cccc(Br)n1 Amb33240785 [0,1,0,0,0,1|2,0,0]=4 1680 B12R1.226 O=C(O)\C=C\c1cccc(Cl)c1 Amb33513177 [0,1,0,0,0,1|2,0,0]=4 1681 B12R1.226 O=C(O)\C=C\c1cccc(F)c1 Amb1210956 [0,1,0,0,0,1|2,0,0]=4 1682 B12R1.226 O=C(O)\C=C\c1cccc(I)c1 Amb2236388 [0,1,0,0,0,1|2,0,0]=4 1683 B12R1.226 O=C(O)\C=C\c1cccc(O)c1 Amb8513189 [0,1,0,0,0,1|2,0,0]=4 1684 B12R1.226 O=C(O)\C=C\c1ccnc(Br)c1 Amb19929893 [0,1,0,0,0,1|2,0,0]=4 1685 B12R1.226 O=C(O)\C=C\c1ccnc(Cl)c1 Amb20668239 [0,1,0,0,0,1|2,0,0]=4 1686 B12R1.226 O=C(O)\C=C\c1ccnc(O)c1 Amb24682988 [0,1,0,0,0,1|2,0,0]=4 1687 B12R1.226 O=C(O)\C=C\c1cncc(Br)c1 Amb33242916 [0,1,0,0,0,1|2,0,0]=4 1688 B12R1.226 O=C(O)\C=C\c1cncc(Cl)c1 Amb26004618 [0,1,0,0,0,1|2,0,0]=4 1689 B12R1.226 O=C(O)\C=C\c1cncc(F)c1 Amb18283058 [0,1,0,0,0,1|2,0,0]=4 1690 B12R1.226 O=C(O)\C=C\c1cncc(O)c1 Amb27868737 [0,1,0,0,0,1|2,0,0]=4 1691 B12R1.891 CS(=O)(=O)\C=C\c1ccccc1 Amb4006709 [0,1,0,0,0,1|2,0,0]=4 1692 B12R1.54 CC(=O)CCC(=O)c1ccco1 Amb2425618 [0,1,0,0,0,1|0,0,1]=3 1693 B12R1.54 CC(=O)CCC(=O)c1cccs1 Amb2768637 [0,1,0,0,0,1|0,1,1]=4 1694 B12R1.54 CC(=O)CCC(Cl)c1ccco1 Amb17401089 [0,1,0,0,0,1|0,0,2]=4 1695 B12R1.54 CC(=O)CNC(=O)c1ccco1 Amb28145550 [0,1,0,0,0,1|0,0,1]=3 1696 B12R1.54 CC(=O)NCC(=O)c1cccs1 Amb17335632 [0,1,0,0,0,1|0,1,1]=4 1697 B12R1.54 CC(=O)NCC(O)c1ccco1 Amb24356097 [0,1,0,0,0,1|0,0,2]=4 1698 B12R1.54 CC(=O)NNC(=O)c1ccco1 Amb4066351 [0,1,0,0,0,1|1,0,0]=3 1699 B12R1.54 CC(C)=NNC(=O)c1ccco1 Amb6881077 [0,1,0,0,0,1|2,0,0]=4 1700 B12R1.54 CN(C)\C=C/C(=O)c1ccco1 Amb6888585 [0,1,0,0,0,1|2,0,0]=4 1701 B12R1.54 CN(C)\C=C\C(=O)c1ccco1 Amb2408465 [0,1,0,0,0,1|2,0,0]=4 1702 B12R1.54 CN(C)\C=N\C(=O)c1ccco1 Amb22261523 [0,1,0,0,0,1|2,0,0]=4 1703 B12R1.54 C\C(=C/CC(=O)O)c1cccs1 Amb28436758 [0,1,0,0,0,1|1,1,0]=4 1704 B12R1.54 C\C(=C\CC(=O)O)c1cccs1 Amb27634702 [0,1,0,0,0,1|1,1,0]=4 1705 B12R1.54 C\C(N)=N\N=C(\C)c1ccco1 Amb28241272 [0,1,0,0,0,1|2,0,0]=4 1706 B12R1.54 NC(=O)CCC(=O)c1ccco1 Amb17334694 [0,1,0,0,0,1|1,0,1]=4 1707 B12R1.54 NC(=O)CNC(=O)c1ccco1 Amb8858367 [0,1,0,0,0,1|1,0,1]=4 1708 B12R1.54 NC(=O)COC(=O)c1ccco1 Amb30867166 [0,1,0,0,0,1|1,0,1]=4 1709 B12R1.54 NC(=O)NNC(=O)c1ccco1 Amb26049709 [0,1,0,0,0,1|2,0,0]=4 1710 B12R1.54 O=C(Cl)CNC(=O)c1ccco1 Amb5742031 [0,1,0,0,0,1|1,0,1]=4 1711 B12R1.54 O=C(O)CCC(=O)c1ccco1 Amb2721880 [0,1,0,0,0,1|1,0,1]=4 1712 B12R1.54 O=C(O)CNC(=O)c1ccco1 Amb1151312 [0,1,0,0,0,1|1,0,1]=4 1713 B12R1.54 O=C(O)\C=C\C(=O)c1cccs1 Amb17118515 [0,1,0,0,0,1|1,1,0]=4 1714 B12R1.54 O=C(O)\C=C\S(=O)c1cccs1 Amb27396171 [0,1,0,0,0,1|1,1,0]=4 1715 B12R1.105 CC(=O)CSCc1ccc(Cl)o1 Amb32788965 [0,1,0,0,0,1|0,0,2]=4 1716 B12R1.105 CC(=O)N\N=C\c1ccc(Br)s1 Amb6560680 [0,1,0,0,0,1|1,1,0]=4 1717 B12R1.105 Cc1ccc(\C=C\CC(=O)O)o1 Amb23441798 [0,1,0,0,0,1|1,0,0]=3 1718 B12R1.105 Cc1ccc(\C=N\NC(N)=O)o1 Amb6870054 [0,1,0,0,0,1|2,0,0]=4 1719 B12R1.105 Cc1coc(S\C=C\C(=O)O)n1 Amb27770770 [0,1,0,0,0,1|2,0,0]=4 1720 B12R1.105 NC(=O)N\N=C/c1ccc(Br)o1 Amb30622414 [0,1,0,0,0,1|2,0,0]=4 1721 B12R1.105 O=C(O)C\C=C\c1cc(Br)cs1 Amb18070716 [0,1,0,0,0,1|1,1,0]=4 1722 B12R1.105 O=C(O)C\C=C\c1ccc(Br)o1 Amb23441811 [0,1,0,0,0,1|1,0,0]=3 1723 B12R1.105 O=C(O)C\C=C\c1ccc(Br)s1 Amb18070675 [0,1,0,0,0,1|1,1,0]=4 1724 B12R1.105 O=C(O)C\C=C\c1ccc(Cl)s1 Amb18066363 [0,1,0,0,0,1|1,1,0]=4 1725 B12R1.130 CC(=O)CSCc1occc1C Amb32987863 [0,1,0,0,0,1|0,0,2]=4 1726 B12R1.130 CC(=O)N\N=C\c1occc1Br Amb27662014 [0,1,0,0,0,1|1,0,0]=3 1727 B12R1.130 CC(=O)N\N=C\c1sccc1C Amb3373298 [0,1,0,0,0,1|1,1,0]=4 1728 B12R1.130 CC(C)=CCCc1occc1Br Amb35582929 [0,1,0,0,0,1|1,0,1]=4 1729 B12R1.130 Cc1ccsc1\C=C\CC(=O)O Amb23441800 [0,1,0,0,0,1|1,1,0]=4 1730 B12R1.260 CC(=O)C\C(C)=C\c1ccco1 Amb33311977 [0,1,0,0,0,1|0,0,0]=2 1731 B12R1.260 CC(=O)NC(C)Cc1ccco1 Amb13798432 [0,1,0,0,0,1|0,0,2]=4 1732 B12R1.260 CC(=O)\C=C(\C)Cc1cccs1 Amb29859826 [0,1,0,0,0,1|0,1,0]=3 1733 B12R1.260 CC(=O)\C=C(\C)Cc1ccsc1 Amb29859827 [0,1,0,0,0,1|2,0,0]=4 1734 B12R1.260 CC(C)=CC(=O)Cc1ccco1 Amb27867279 [0,1,0,0,0,1|1,0,0]=3 1735 B12R1.260 C\C(=C/c1ccco1)CC(=N)N Amb33197988 [0,1,0,0,0,1|2,0,0]=4 1736 B12R1.260 C\C(=C/c1ccco1)CC(=O)O Amb27961441 [0,1,0,0,0,1|1,0,0]=3 1737 B12R1.260 C\C(=C/c1ccco1)CC(C)Br Amb33333150 [0,1,0,0,0,1|1,0,1]=4 1738 B12R1.260 C\C(=C/c1ccco1)CC(C)O Amb33311631 [0,1,0,0,0,1|0,0,2]=4 1739 B12R1.260 C\C(=C/c1ccco1)CC(N)=S Amb33197987 [0,1,0,0,0,1|1,1,0]=4 1740 B12R1.260 C\C(=C/c1ccco1)CN(C)O Amb33311949 [0,1,0,0,0,1|1,0,1]=4 1741 B12R1.260 C\C(=C/c1ccco1)C[C@@H](C)N Amb33311320 [0,1,0,0,0,1|1,0,1]=4 1742 B12R1.260 C\C(=C/c1ccco1)C[C@@H](C)O Amb33311316 [0,1,0,0,0,1|0,0,2]=4 1743 B12R1.260 C\C(=C/c1ccco1)C[C@H](C)N Amb33311319 [0,1,0,0,0,1|1,0,1]=4 1744 B12R1.260 C\C(=C/c1ccco1)C[C@H](C)O Amb33311318 [0,1,0,0,0,1|0,0,2]=4 1745 B12R1.260 C\C(=C/c1ccco1)C[N+](=O)[O-] Amb33311298 [0,1,0,0,0,1|2,0,0]=4 1746 B12R1.260 C\C(=C\C(=O)O)Cc1cccs1 Amb35690531 [0,1,0,0,0,1|1,1,0]=4 1747 B12R1.260 C\C(Cc1ccco1)=N\S(C)=O Amb35692856 [0,1,0,0,0,1|1,0,1]=4 1748 B12R1.260 NC(=O)NC(=O)Cc1ccco1 Amb27668980 [0,1,0,0,0,1|1,0,1]=4 1749 B12R1.260 O=C(O)C\[N+]([O-])=C\c1ccco1 Amb26421600 [0,1,0,0,0,1|1,0,1]=4 1750 B12R1.264 C=C(C)C(=O)OCc1ccco1 Amb17934055 [0,1,0,0,0,1|1,0,1]=4 1751 B12R1.264 C=C(C)C(=O)\C=C\c1ccco1 Amb25252220 [0,1,0,0,0,1|1,0,0]=3 1752 B12R1.264 CC(=O)C(=O)NCc1ccco1 Amb17400230 [0,1,0,0,0,1|0,0,1]=3 1753 B12R1.264 CC(O)C(=O)\C=C\c1ccco1 Amb28202271 [0,1,0,0,0,1|0,0,2]=4 1754 B12R1.264 CC(\N=C/c1ccco1)C(=O)O Amb28243769 [0,1,0,0,0,1|1,0,1]=4 1755 B12R1.264 C[C@H](O)C(=O)\C=C\c1ccco1 Amb27177681 [0,1,0,0,0,1|0,0,2]=4 1756 B12R1.264 O=C(O)C(=O)NCc1ccco1 Amb9238897 [0,1,0,0,0,1|1,0,1]=4 1757 B12R1.264 O=C(O)C(=O)\C=C\c1ccco1 Amb17470462 [0,1,0,0,0,1|1,0,0]=3 1758 B12R1.264 O=C(O)C(=O)\C=C\c1cccs1 Amb445455 [0,1,0,0,0,1|1,1,0]=4 1759 B12R1.264 O=C(O)[C@H](O)\C=C\c1cccs1 Amb27983693 [0,1,0,0,0,1|1,1,0]=4 1760 B12R1.264 O=C([O-])C(=O)\C=C\c1ccco1 Amb24309011 [0,1,0,0,0,1|1,0,0]=3 1761 B12R1.477 CNC(=O)N\C=C\c1ccco1 Amb2421768 [0,1,0,0,0,1|0,0,0]=2 1762 B12R1.477 CN\C(S)=N\N=C/c1ccco1 Amb2554949 [0,1,0,0,0,1|1,1,0]=4 1763 B12R1.477 COC(=O)CNCc1ccco1 Amb6686981 [0,1,0,0,0,1|0,0,2]=4 1764 B12R1.477 COC(=O)COCc1ccco1 Amb9202943 [0,1,0,0,0,1|0,0,2]=4 1765 B12R1.477 COC(=O)CSCc1ccco1 Amb6357576 [0,1,0,0,0,1|0,0,2]=4 1766 B12R1.477 COC(=O)N\N=C\c1ccco1 Amb3355117 [0,1,0,0,0,1|1,0,0]=3 1767 B12R1.477 COC(=O)N\N=C\c1cccs1 Amb6881190 [0,1,0,0,0,1|1,1,0]=4 1768 B12R1.477 CSC(=S)N\N=C\c1ccco1 Amb9786230 [0,1,0,0,0,1|1,1,0]=4 1769 B12R1.477 C\C(C=O)=C/C=C/c1ccco1 Amb27178060 [0,1,0,0,0,1|0,0,0]=2 1770 B12R1.477 C\C(C=O)=C\C#Cc1ccco1 Amb27636959 [0,1,0,0,0,1|0,0,1]=3 1771 B12R1.477 O=C(CCl)NCCc1ccco1 Amb17329057 [0,1,0,0,0,1|0,0,2]=4 1772 B12R1.477 O=C(CO)N\N=C\c1cccs1 Amb6468365 [0,1,0,0,0,1|1,1,0]=4 1773 B12R1.890 CS(=O)(=O)N\N=C\c1ccco1 Amb8559064 [0,1,0,0,0,1|2,0,0]=4 1774 B12R1.890 O=S(=O)(Cl)C\C=C\c1ccco1 Amb25999122 [0,1,0,0,0,1|2,0,0]=4 1775 B12R1.15 C=CC(=O)\C=C(/C)c1cnco1 Amb27750303 [0,2,0,0,0,0|1,0,1]=4 1776 B12R1.15 CC(NC(=O)CBr)c1ccco1 Amb17330601 [0,2,0,0,0,0|1,0,1]=4 1777 B12R1.15 CC(NC(=O)CCl)c1ccco1 Amb1158018 [0,2,0,0,0,0|1,0,1]=4 1778 B12R1.15 CCC(=O)CC(=O)c1ccco1 Amb7766344 [0,2,0,0,0,0|0,0,1]=3 1779 B12R1.15 CCC(=O)CC(=O)c1cccs1 Amb7766352 [0,2,0,0,0,0|0,1,1]=4 1780 B12R1.15 CCS(=O)\N=C(\C)c1ccco1 Amb35726886 [0,2,0,0,0,0|2,0,0]=4 1781 B12R1.15 CNC(=O)CC(N)c1ccco1 Amb17232665 [0,2,0,0,0,0|0,0,2]=4 1782 B12R1.15 CNC(=O)NC(=O)c1ccco1 Amb25201628 [0,2,0,0,0,0|1,0,0]=3 1783 B12R1.15 CNC(=S)NC(=O)c1ccco1 Amb366949 [0,2,0,0,0,0|1,1,0]=4 1784 B12R1.15 COC(=O)CC(=O)c1ccco1 Amb2688611 [0,2,0,0,0,0|0,0,1]=3 1785 B12R1.15 COC(=O)CC(=O)c1cccs1 Amb2689992 [0,2,0,0,0,0|0,1,1]=4 1786 B12R1.15 COC(=O)CC(=O)c1cnco1 Amb33415547 [0,2,0,0,0,0|1,0,1]=4 1787 B12R1.15 COC(=O)CC(N)c1ccco1 Amb34913732 [0,2,0,0,0,0|0,0,2]=4 1788 B12R1.15 COC(=O)CC(N)c1ccco1 Amb9211622 [0,2,0,0,0,0|0,0,2]=4 1789 B12R1.15 COC(=O)CC(O)c1ccco1 Amb33172320 [0,2,0,0,0,0|0,0,2]=4 1790 B12R1.15 COC(=O)C[C@@H](N)c1ccco1 Amb18793277 [0,2,0,0,0,0|0,0,2]=4 1791 B12R1.15 COC(=O)C[C@@H](O)c1ccco1 Amb33358491 [0,2,0,0,0,0|0,0,2]=4 1792 B12R1.15 COC(=O)C[C@H](N)c1ccco1 Amb32793679 [0,2,0,0,0,0|0,0,2]=4 1793 B12R1.15 COC(=O)C[C@H](O)c1ccco1 Amb33079206 [0,2,0,0,0,0|0,0,2]=4 1794 B12R1.15 COC(=O)\C=C(\C)c1cccs1 Amb26845102 [0,2,0,0,0,0|0,1,0]=3 1795 B12R1.15 COC(=O)\C=C(\C)c1ccsc1 Amb26643262 [0,2,0,0,0,0|2,0,0]=4 1796 B12R1.15 COC(=O)\C=C(\C)c1cncs1 Amb33492927 [0,2,0,0,0,0|1,1,0]=4 1797 B12R1.15 COC(=O)\C=C(\C)c1cscn1 Amb33492935 [0,2,0,0,0,0|2,0,0]=4 1798 B12R1.15 COC(=O)\C=C(\C)c1ncco1 Amb33492940 [0,2,0,0,0,0|1,0,0]=3 1799 B12R1.15 COC(=O)\C=C(\C)c1nccs1 Amb25837502 [0,2,0,0,0,0|1,1,0]=4 1800 B12R1.15 COC(=O)\C=C(\N)c1cccs1 Amb27268299 [0,2,0,0,0,0|0,1,0]=3 1801 B12R1.15 COC(=S)NC(=O)c1ccco1 Amb27224731 [0,2,0,0,0,0|1,1,0]=4 1802 B12R1.15 CSC(=N)NC(=O)c1ccco1 Amb27254226 [0,2,0,0,0,0|2,0,0]=4 1803 B12R1.15 C[C@@H](NC(=O)CCl)c1ccco1 Amb28066251 [0,2,0,0,0,0|1,0,1]=4 1804 B12R1.15 C[C@H](NC(=O)CCl)c1ccco1 Amb27267605 [0,2,0,0,0,0|1,0,1]=4 1805 B12R1.15 C\C(CC(=O)c1ccco1)=N/N Amb27175910 [0,2,0,0,0,0|1,0,1]=4 1806 B12R1.15 C\C(CC(=O)c1ccco1)=N\N Amb28285890 [0,2,0,0,0,0|1,0,1]=4 1807 B12R1.15 O=C(CCl)NC(=O)c1ccco1 Amb465504 [0,2,0,0,0,0|1,0,0]=3 1808 B12R1.15 O=C(CCl)NC(=O)c1cccs1 Amb2308860 [0,2,0,0,0,0|1,1,0]=4 1809 B12R1.26 CCS(=O)\N=C\c1ccc(Br)o1 Amb35685231 [0,2,0,0,0,0|2,0,0]=4 1810 B12R1.26 CCS(=O)\N=C\c1ccc(C)o1 Amb35726598 [0,2,0,0,0,0|2,0,0]=4 1811 B12R1.26 CCS(=O)\N=C\c1ccc(Cl)o1 Amb35685232 [0,2,0,0,0,0|2,0,0]=4 1812 B12R1.26 CNC(=O)NCc1ccc(Br)o1 Amb28293931 [0,2,0,0,0,0|1,0,1]=4 1813 B12R1.26 CNC(=O)NCc1ccc(Cl)o1 Amb27761251 [0,2,0,0,0,0|1,0,1]=4 1814 B12R1.26 CNC(=O)\C=C\c1cc(Br)cs1 Amb27861729 [0,2,0,0,0,0|0,1,0]=3 1815 B12R1.26 CNC(=O)\C=C\c1ccc(Br)o1 Amb27389224 [0,2,0,0,0,0|0,0,0]=2 1816 B12R1.26 CNC(=O)\C=C\c1cnc(C)s1 Amb27198342 [0,2,0,0,0,0|1,1,0]=4 1817 B12R1.26 CNC(=O)\C=C\c1csc(C)n1 Amb28056749 [0,2,0,0,0,0|2,0,0]=4 1818 B12R1.26 COC(=O)C#Cc1ccc(Cl)o1 Amb27242095 [0,2,0,0,0,0|0,0,2]=4 1819 B12R1.26 COC(=O)\C=C\C1=CC(=O)CC1 Amb24625806 [0,2,0,0,0,0|1,0,1]=4 1820 B12R1.26 COC(=O)\C=C\c1cc(Br)cs1 Amb27266167 [0,2,0,0,0,0|0,1,0]=3 1821 B12R1.26 COC(=O)\C=C\c1cc(C)co1 Amb27438727 [0,2,0,0,0,0|0,0,0]=2 1822 B12R1.26 COC(=O)\C=C\c1cc(C)no1 Amb28286950 [0,2,0,0,0,0|1,0,0]=3 1823 B12R1.26 COC(=O)\C=C\c1cc(C)ns1 Amb35704278 [0,2,0,0,0,0|1,1,0]=4 1824 B12R1.26 COC(=O)\C=C\c1cc(C)on1 Amb27474835 [0,2,0,0,0,0|2,0,0]=4 1825 B12R1.26 COC(=O)\C=C\c1ccc(Br)o1 Amb22342228 [0,2,0,0,0,0|0,0,0]=2 1826 B12R1.26 COC(=O)\C=C\c1ccc(Br)s1 Amb8631122 [0,2,0,0,0,0|0,1,0]=3 1827 B12R1.26 COC(=O)\C=C\c1ccc(C)o1 Amb22009458 [0,2,0,0,0,0|0,0,0]=2 1828 B12R1.26 COC(=O)\C=C\c1ccc(C)s1 Amb24487446 [0,2,0,0,0,0|0,1,0]=3 1829 B12R1.26 COC(=O)\C=C\c1ccc(Cl)o1 Amb25723979 [0,2,0,0,0,0|0,0,0]=2 1830 B12R1.26 COC(=O)\C=C\c1ccc(Cl)s1 Amb25070249 [0,2,0,0,0,0|0,1,0]=3 1831 B12R1.26 COC(=O)\C=C\c1cn(C)cn1 Amb28127903 [0,2,0,0,0,0|2,0,0]=4 1832 B12R1.26 COC(=O)\C=C\c1cnc(C)s1 Amb27213325 [0,2,0,0,0,0|1,1,0]=4 1833 B12R1.26 COC(=O)\C=C\c1cnc(Cl)s1 Amb33469142 [0,2,0,0,0,0|1,1,0]=4 1834 B12R1.26 COC(=O)\C=C\c1csc(Br)c1 Amb27777824 [0,2,0,0,0,0|2,0,0]=4 1835 B12R1.26 COC(=O)\C=C\c1csc(Br)n1 Amb33469150 [0,2,0,0,0,0|2,0,0]=4 1836 B12R1.26 COC(=O)\C=C\c1csc(C)c1 Amb27881423 [0,2,0,0,0,0|2,0,0]=4 1837 B12R1.26 COC(=O)\C=C\c1csc(C)n1 Amb25034820 [0,2,0,0,0,0|2,0,0]=4 1838 B12R1.26 COC(=O)\C=C\c1ncc(Cl)s1 Amb28207676 [0,2,0,0,0,0|1,1,0]=4 1839 B12R1.26 C\C(C=O)=C/Nc1cc(C)no1 Amb28057011 [0,2,0,0,0,0|2,0,0]=4 1840 B12R1.26 Cc1ccc(CNC(=O)CCl)o1 Amb19077082 [0,2,0,0,0,0|1,0,1]=4 1841 B12R1.26 NCC(=O)NCc1ccc(Cl)o1 Amb30035964 [0,2,0,0,0,0|1,0,1]=4 1842 B12R1.26 NNC(=O)\C=C\c1cc(Br)cs1 Amb28350957 [0,2,0,0,0,0|1,1,0]=4 1843 B12R1.26 NNC(=O)\C=C\c1ccc(Cl)o1 Amb27399369 [0,2,0,0,0,0|1,0,0]=3 1844 B12R1.26 O=C(CBr)NCc1ccc(Cl)o1 Amb35646281 [0,2,0,0,0,0|1,0,1]=4 1845 B12R1.26 O=C(CO)NCc1ccc(Br)o1 Amb28458029 [0,2,0,0,0,0|1,0,1]=4 1846 B12R1.26 O=C(CS)NCc1ccc(Cl)o1 Amb30036289 [0,2,0,0,0,0|1,0,1]=4 1847 B12R1.51 C#CCC(=O)NCc1ccco1 Amb35727900 [0,2,0,0,0,0|1,0,1]=4 1848 B12R1.51 C#CCC(O)\C=C\c1ccco1 Amb27219077 [0,2,0,0,0,0|0,0,2]=4 1849 B12R1.51 CC(=C\C=O)\C=C\c1ccco1 Amb28201028 [0,2,0,0,0,0|0,0,0]=2 1850 B12R1.51 CC(\C=C\c1ccco1)=C/C=O Amb27748619 [0,2,0,0,0,0|0,0,0]=2 1851 B12R1.51 CCNC(=O)\C=C\c1cccs1 Amb17786755 [0,2,0,0,0,0|0,1,0]=3 1852 B12R1.51 CCOC(=O)C#Cc1ccco1 Amb27401496 [0,2,0,0,0,0|0,0,2]=4 1853 B12R1.51 CCOC(=O)CCc1ccco1 Amb6357512 [0,2,0,0,0,0|0,0,2]=4 1854 B12R1.51 CCOC(=O)\C=C\c1ccco1 Amb1033025 [0,2,0,0,0,0|0,0,0]=2 1855 B12R1.51 CCOC(=O)\C=C\c1cccs1 Amb21858181 [0,2,0,0,0,0|0,1,0]=3 1856 B12R1.51 CCOC(=O)\C=C\c1ccsc1 Amb33990712 [0,2,0,0,0,0|2,0,0]=4 1857 B12R1.51 CCOC(=O)\C=C\c1cncs1 Amb33469175 [0,2,0,0,0,0|1,1,0]=4 1858 B12R1.51 CCOC(=O)\C=C\c1cscn1 Amb30594535 [0,2,0,0,0,0|2,0,0]=4 1859 B12R1.51 CCOC(=O)\C=C\c1nccs1 Amb33469170 [0,2,0,0,0,0|1,1,0]=4 1860 B12R1.51 CNCC(=O)NCc1ccco1 Amb13951291 [0,2,0,0,0,0|1,0,1]=4 1861 B12R1.51 CNCC(=O)NCc1ccco1 Amb418935 [0,2,0,0,0,0|1,0,1]=4 1862 B12R1.51 CONC(=O)NCc1ccco1 Amb28283432 [0,2,0,0,0,0|1,0,1]=4 1863 B12R1.51 CONC(=O)\C=C\c1cccs1 Amb28063549 [0,2,0,0,0,0|0,1,0]=3 1864 B12R1.51 N#CCC(=O)CCc1ccco1 Amb7768255 [0,2,0,0,0,0|0,0,2]=4 1865 B12R1.51 N#CCC(=O)NCc1ccco1 Amb6334825 [0,2,0,0,0,0|1,0,1]=4 1866 B12R1.51 N#CCC(=O)\C=C\c1ccco1 Amb24434538 [0,2,0,0,0,0|0,0,0]=2 1867 B12R1.51 N#C\N=C(N)\C=C\c1ccco1 Amb27657809 [0,2,0,0,0,0|1,0,1]=4 1868 B12R1.51 NCCC(=O)NCc1ccco1 Amb1127809 [0,2,0,0,0,0|1,0,1]=4 1869 B12R1.51 O=C(CCBr)NCc1ccco1 Amb17323760 [0,2,0,0,0,0|1,0,1]=4 1870 B12R1.51 O=C(CCCl)NCc1ccco1 Amb1137792 [0,2,0,0,0,0|1,0,1]=4 1871 B12R1.51 O=C(CCO)NCc1ccco1 Amb17334760 [0,2,0,0,0,0|1,0,1]=4 1872 B12R1.51 [N-]=[N+]=CC(=O)\C=C\c1ccco1 Amb20248602 [0,2,0,0,0,0|0,0,1]=3 1873 B12R1.51 [N-]=[N+]=NC(=O)\C=C\c1ccco1 Amb3428891 [0,2,0,0,0,0|1,0,0]=3 1874 B12R1.108 C#CC(C)\C(C)=C\c1ccco1 Amb33225724 [0,2,0,0,0,0|1,0,1]=4 1875 B12R1.108 C=C(CBr)\C(C)=C\c1ccco1 Amb33333395 [0,2,0,0,0,0|1,0,0]=3 1876 B12R1.108 C=C(CCl)\C(C)=C\c1ccco1 Amb33256779 [0,2,0,0,0,0|1,0,0]=3 1877 B12R1.108 C=C(CN)\C(C)=C\c1ccco1 Amb33311301 [0,2,0,0,0,0|1,0,0]=3 1878 B12R1.108 C=CC(=O)\C(C)=C\c1ccco1 Amb33311620 [0,2,0,0,0,0|0,0,1]=3 1879 B12R1.108 CN(Cc1ccco1)C(=O)CCl Amb1107558 [0,2,0,0,0,0|1,0,1]=4 1880 B12R1.108 CN(Cc1ccco1)C(=O)CN Amb9250410 [0,2,0,0,0,0|1,0,1]=4 1881 B12R1.108 CN(Cc1ccco1)C(=O)CO Amb1109719 [0,2,0,0,0,0|1,0,1]=4 1882 B12R1.108 CNC(=O)[C@H](N)Cc1ccco1 Amb28384625 [0,2,0,0,0,0|0,0,2]=4 1883 B12R1.108 COC(=O)C(=O)Cc1ccco1 Amb17138626 [0,2,0,0,0,0|0,0,1]=3 1884 B12R1.108 COC(=O)C(N)Cc1ccco1 Amb33308805 [0,2,0,0,0,0|0,0,2]=4 1885 B12R1.108 COC(=O)C(O)Cc1ccco1 Amb17138659 [0,2,0,0,0,0|0,0,2]=4 1886 B12R1.108 COC(=O)N(C)Cc1ccco1 Amb2389217 [0,2,0,0,0,0|1,0,1]=4 1887 B12R1.108 COC(=O)\C(O)=C\c1cccs1 Amb18010728 [0,2,0,0,0,0|0,1,0]=3 1888 B12R1.108 C\C(=C/c1ccco1)C(=O)CCl Amb33256373 [0,2,0,0,0,0|0,0,0]=2 1889 B12R1.108 C\C(=C/c1ccco1)C(=O)CN Amb33311971 [0,2,0,0,0,0|0,0,0]=2 1890 B12R1.108 C\C(=C/c1ccco1)C(C)C#N Amb33311666 [0,2,0,0,0,0|1,0,1]=4 1891 B12R1.108 C\C(=C/c1ccco1)C(C)C=O Amb32954566 [0,2,0,0,0,0|0,0,1]=3 1892 B12R1.108 C\C(=C/c1ccco1)C(C)CBr Amb33333152 [0,2,0,0,0,0|1,0,1]=4 1893 B12R1.108 C\C(=C/c1ccco1)C(C)CN Amb33311956 [0,2,0,0,0,0|1,0,1]=4 1894 B12R1.108 C\C(=C/c1ccco1)C(C)ON Amb33311585 [0,2,0,0,0,0|0,0,2]=4 1895 B12R1.108 C\C(=C/c1ccco1)C(F)CN Amb33311610 [0,2,0,0,0,0|1,0,1]=4 1896 B12R1.108 C\C(=C/c1ccco1)C(N)CO Amb33311973 [0,2,0,0,0,0|1,0,1]=4 1897 B12R1.108 C\C(=C/c1ccco1)C(O)CBr Amb33333158 [0,2,0,0,0,0|0,0,2]=4 1898 B12R1.108 C\C(=C/c1ccco1)C(O)CCl Amb33414078 [0,2,0,0,0,0|0,0,2]=4 1899 B12R1.108 C\C(=C/c1ccco1)C(O)CF Amb33311308 [0,2,0,0,0,0|0,0,2]=4 1900 B12R1.108 C\C(=C/c1ccco1)C(O)CN Amb33428707 [0,2,0,0,0,0|0,0,2]=4 1901 B12R1.108 C\C(=C/c1ccco1)C(O)CO Amb33311309 [0,2,0,0,0,0|0,0,2]=4 1902 B12R1.108 C\C(=C/c1ccco1)[C@@H](N)CO Amb33311605 [0,2,0,0,0,0|1,0,1]=4 1903 B12R1.108 C\C(=C/c1ccco1)[C@@H](O)CN Amb33311608 [0,2,0,0,0,0|0,0,2]=4 1904 B12R1.108 C\C(=C/c1ccco1)[C@H](N)CO Amb33311606 [0,2,0,0,0,0|1,0,1]=4 1905 B12R1.108 C\C(=C/c1ccco1)[C@H](O)CN Amb33311607 [0,2,0,0,0,0|0,0,2]=4 1906 B12R1.108 C\C(=C\c1ccco1)C(=N)NO Amb27252203 [0,2,0,0,0,0|1,0,1]=4 1907 B12R1.108 C\C(=C\c1ccco1)C(O)CN Amb27637926 [0,2,0,0,0,0|0,0,2]=4 1908 B12R1.108 [C-]#[N+]C(C)\C(C)=C\c1ccco1 Amb33311615 [0,2,0,0,0,0|1,0,1]=4 1909 B12R1.353 CCS(=O)\N=C\c1occc1Br Amb29858857 [0,2,0,0,0,0|2,0,0]=4 1910 B12R1.353 CCS(=O)\N=C\c1occc1C Amb35684989 [0,2,0,0,0,0|2,0,0]=4 1911 B12R1.353 CNC(=O)\C=C\c1cccn1C Amb27982662 [0,2,0,0,0,0|1,0,0]=3 1912 B12R1.353 CNC(=O)\C=C\c1ccnn1C Amb28399089 [0,2,0,0,0,0|2,0,0]=4 1913 B12R1.353 CNC(C)\C=C\c1occc1Br Amb27395567 [0,2,0,0,0,0|1,0,1]=4 1914 B12R1.353 COC(=O)C#Cc1occc1C Amb27974460 [0,2,0,0,0,0|0,0,2]=4 1915 B12R1.353 COC(=O)\C=C\c1cccn1C Amb24726149 [0,2,0,0,0,0|1,0,0]=3 1916 B12R1.353 COC(=O)\C=C\c1ccnn1C Amb27230597 [0,2,0,0,0,0|2,0,0]=4 1917 B12R1.353 COC(=O)\C=C\c1ccoc1C Amb26951802 [0,2,0,0,0,0|2,0,0]=4 1918 B12R1.353 COC(=O)\C=C\c1ccsc1C Amb28048438 [0,2,0,0,0,0|2,0,0]=4 1919 B12R1.353 COC(=O)\C=C\c1cncn1C Amb30585013 [0,2,0,0,0,0|2,0,0]=4 1920 B12R1.353 COC(=O)\C=C\c1cscc1Br Amb28323700 [0,2,0,0,0,0|2,0,0]=4 1921 B12R1.353 COC(=O)\C=C\c1ocnc1C Amb27643685 [0,2,0,0,0,0|1,0,0]=3 1922 B12R1.353 COC(=O)\C=C\c1sccc1Br Amb28046177 [0,2,0,0,0,0|0,1,0]=3 1923 B12R1.353 COC(=O)\C=C\c1sccc1C Amb2780356 [0,2,0,0,0,0|0,1,0]=3 1924 B12R1.353 COC(=O)\C=C\c1sccc1Cl Amb28146353 [0,2,0,0,0,0|0,1,0]=3 1925 B12R1.353 COC(=O)\C=C\c1scnc1C Amb26512216 [0,2,0,0,0,0|1,1,0]=4 1926 B12R1.353 Cc1ccsc1\C=C\C(=O)CCl Amb27412069 [0,2,0,0,0,0|0,1,0]=3 1927 B12R1.353 Cn1cccc1\C=C\C(=O)NN Amb27660538 [0,2,0,0,0,0|2,0,0]=4 1928 B12R1.353 O=C(\C=C\c1sccc1Br)CCl Amb27221782 [0,2,0,0,0,0|0,1,0]=3 1929 B12R1.104 CC(=O)\C(C)=C\c1cc(Br)cs1 Amb27483281 [0,2,0,0,0,0|0,1,0]=3 1930 B12R1.104 CC(=O)\C(C)=C\c1cc(C)no1 Amb27416812 [0,2,0,0,0,0|1,0,0]=3 1931 B12R1.104 CC(=O)\C(C)=C\c1cc(C)ns1 Amb35720409 [0,2,0,0,0,0|1,1,0]=4 1932 B12R1.104 CC(=O)\C(C)=C\c1cc(Cl)cs1 Amb28282863 [0,2,0,0,0,0|0,1,0]=3 1933 B12R1.104 CC(=O)\C(C)=C\c1cn(C)cn1 Amb27200241 [0,2,0,0,0,0|2,0,0]=4 1934 B12R1.104 CC(=O)\C(C)=C\c1ncc(I)s1 Amb27453331 [0,2,0,0,0,0|1,1,0]=4 1935 B12R1.104 C\C(=C/c1cc(C)no1)C(=O)O Amb27235095 [0,2,0,0,0,0|2,0,0]=4 1936 B12R1.104 C\C(=C/c1ccc(Br)o1)C(=O)O Amb24681994 [0,2,0,0,0,0|1,0,0]=3 1937 B12R1.104 C\C(=C/c1ccc(Br)o1)C(C)Br Amb27167859 [0,2,0,0,0,0|1,0,1]=4 1938 B12R1.104 C\C(=C/c1ccc(Br)o1)[N+](=O)[O-] Amb26023969 [0,2,0,0,0,0|2,0,0]=4 1939 B12R1.104 C\C(=C/c1ccc(C)o1)C(C)N Amb27593552 [0,2,0,0,0,0|1,0,1]=4 1940 B12R1.104 C\C(=C/c1ccc(C)o1)C(C)O Amb27251722 [0,2,0,0,0,0|0,0,2]=4 1941 B12R1.104 C\C(=C/c1ccc(Cl)o1)C(C)Br Amb27416775 [0,2,0,0,0,0|1,0,1]=4 1942 B12R1.104 Cc1cc(\C=C(\F)C(=O)O)on1 Amb28197353 [0,2,0,0,0,0|2,0,0]=4 1943 B12R1.104 Cc1ccc(CC(=O)C(=O)O)o1 Amb1134823 [0,2,0,0,0,0|1,0,1]=4 1944 B12R1.104 O=C(O)C(=O)Cc1cc(Br)co1 Amb33431505 [0,2,0,0,0,0|1,0,1]=4 1945 B12R1.104 O=C(O)C(=O)Cc1ccc(Br)o1 Amb1131460 [0,2,0,0,0,0|1,0,1]=4 1946 B12R1.104 O=C(O)C(=O)Cc1ccc(Cl)o1 Amb33258273 [0,2,0,0,0,0|1,0,1]=4 1947 B12R1.104 O=C(O)\C(F)=C\c1ccc(Br)s1 Amb27461264 [0,2,0,0,0,0|1,1,0]=4 1948 B12R1.104 O=[N+]([O-])\C(Br)=C\c1ccc(Br)o1 Amb24104064 [0,2,0,0,0,0|2,0,0]=4 1949 B12R1.120 CC(=O)C(C)C(=O)c1ccco1 Amb18798521 [0,2,0,0,0,0|0,0,1]=3 1950 B12R1.120 CC(=O)C(C)C(=O)c1cccs1 Amb18791435 [0,2,0,0,0,0|0,1,1]=4 1951 B12R1.120 CC(=O)C(C)[C@H](O)c1ccco1 Amb27175880 [0,2,0,0,0,0|0,0,2]=4 1952 B12R1.120 CC(=O)C(Cl)C(=O)c1ccco1 Amb26643001 [0,2,0,0,0,0|0,0,1]=3 1953 B12R1.120 CC(=O)C(Cl)C(=O)c1cccs1 Amb27166033 [0,2,0,0,0,0|0,1,1]=4 1954 B12R1.120 CC(=O)N(C)C(C)c1ccco1 Amb28070311 [0,2,0,0,0,0|1,0,1]=4 1955 B12R1.120 CC(=O)[C@H](O)[C@@H](O)c1ccco1 Amb27861476 [0,2,0,0,0,0|0,0,2]=4 1956 B12R1.120 CC(=O)\C(C)=C(\N)c1ccco1 Amb28457415 [0,2,0,0,0,0|0,0,0]=2 1957 B12R1.120 C\C(C(=O)O)=C(\Cl)c1cccs1 Amb28075577 [0,2,0,0,0,0|1,1,0]=4 1958 B12R1.120 O=C(O)C(=O)C(=O)c1cccs1 Amb31096970 [0,2,0,0,0,0|1,1,0]=4 1959 B12R1.145 CC(=O)\C(C)=C\c1ccsc1Cl Amb28385962 [0,2,0,0,0,0|2,0,0]=4 1960 B12R1.145 CC(=O)\C(C)=C\c1nccn1C Amb27265720 [0,2,0,0,0,0|2,0,0]=4 1961 B12R1.145 CC(=O)\C(C)=C\c1occc1Br Amb27478897 [0,2,0,0,0,0|0,0,0]=2 1962 B12R1.145 CC(=O)\C(C)=C\c1scnc1C Amb28246687 [0,2,0,0,0,0|1,1,0]=4 1963 B12R1.145 C\C(=C/c1occc1Br)C(C)Br Amb27881150 [0,2,0,0,0,0|1,0,1]=4 1964 B12R1.145 C\C(=C/c1occc1Br)C(C)Cl Amb27417000 [0,2,0,0,0,0|1,0,1]=4 1965 B12R1.145 C\C(=C/c1occc1Br)C(C)N Amb27219343 [0,2,0,0,0,0|1,0,1]=4 1966 B12R1.145 C\C(=C/c1occc1Br)C(C)O Amb27952310 [0,2,0,0,0,0|0,0,2]=4 1967 B12R1.145 C\C(=C/c1occc1C)C(C)Cl Amb27864983 [0,2,0,0,0,0|1,0,1]=4 1968 B12R1.145 C\C(=C/c1sccc1Cl)C(=O)O Amb27616806 [0,2,0,0,0,0|1,1,0]=4 1969 B12R1.145 C\C(=C\c1occc1C)C(=O)O Amb27398078 [0,2,0,0,0,0|1,0,0]=3 1970 B12R1.145 C\C(=C\c1sccc1C)C(=O)O Amb27786857 [0,2,0,0,0,0|1,1,0]=4 1971 B12R1.145 Cc1ccoc1CC(=O)C(=O)O Amb25854016 [0,2,0,0,0,0|1,0,1]=4 1972 B12R1.145 Cc1ccsc1\C=C(\N)C(=O)O Amb27827636 [0,2,0,0,0,0|1,1,0]=4 1973 B12R1.266 C\C(=C/c1ccco1)C(C)(C)N Amb33311989 [0,2,0,0,0,0|1,0,1]=4 1974 B12R1.266 C\C(=C/c1ccco1)C(C)(C)O Amb33311629 [0,2,0,0,0,0|0,0,2]=4 1975 B12R1.298 CC(=O)\C(C#N)=C/c1ccco1 Amb27175882 [0,2,0,0,0,0|0,0,0]=2 1976 B12R1.298 CC(C)\C(=C\c1ccco1)CO Amb27756765 [0,2,0,0,0,0|1,0,1]=4 1977 B12R1.298 CC(C)\C(C=O)=C/c1ccco1 Amb17334605 [0,2,0,0,0,0|1,0,1]=4 1978 B12R1.298 CC\C(=C/c1ccco1)C(=O)O Amb5743948 [0,2,0,0,0,0|1,0,0]=3 1979 B12R1.298 CC\C(=C/c1cccs1)C(=O)O Amb5743949 [0,2,0,0,0,0|1,1,0]=4 1980 B12R1.298 N#C\C(=C/c1ccco1)C(=O)O Amb15695335 [0,2,0,0,0,0|1,0,0]=3 1981 B12R1.298 N#C\C(=C/c1ccco1)C(N)=O Amb2387120 [0,2,0,0,0,0|1,0,0]=3 1982 B12R1.298 N#C\C(=C/c1cccs1)C(=O)O Amb1126845 [0,2,0,0,0,0|1,1,0]=4 1983 B12R1.298 N#C\C(=C/c1cccs1)C(N)=O Amb2411641 [0,2,0,0,0,0|1,1,0]=4 1984 B12R1.298 N#C\C(=C\c1ccco1)C(=O)O Amb2370582 [0,2,0,0,0,0|1,0,0]=3 1985 B12R1.298 N#C\C(=C\c1cccs1)C(=O)O Amb2553295 [0,2,0,0,0,0|1,1,0]=4 1986 B12R1.298 N#C\C(=C\c1cccs1)C(N)=O Amb5795303 [0,2,0,0,0,0|1,1,0]=4 1987 B12R1.298 O=C(O)\C(Cc1ccco1)=N/O Amb26552990 [0,2,0,0,0,0|1,0,1]=4 1988 B12R1.298 O=C(O)\C(Cc1ccco1)=N\O Amb27175304 [0,2,0,0,0,0|1,0,1]=4 1989 B12R1.298 O=[N+]([O-])\C(=C\c1ccco1)CO Amb27191620 [0,2,0,0,0,0|2,0,0]=4 1990 B12R1.59 CC(=O)OCc1ccc(C#N)o1 Amb18646200 [0,2,0,0,0,0|1,0,1]=4 1991 B12R1.59 CC(=O)OCc1ccc(C=O)o1 Amb2781573 [0,2,0,0,0,0|1,0,1]=4 1992 B12R1.59 CC(=O)\C=C\c1cc(C#N)cs1 Amb32876420 [0,2,0,0,0,0|0,1,0]=3 1993 B12R1.59 CC(=O)\C=C\c1ccc(C#N)s1 Amb33147283 [0,2,0,0,0,0|0,1,0]=3 1994 B12R1.59 CC(=O)\C=C\c1ccc(C=O)s1 Amb26488128 [0,2,0,0,0,0|0,1,0]=3 1995 B12R1.59 CCc1ccc(\C=C\C(=O)O)o1 Amb18987834 [0,2,0,0,0,0|1,0,0]=3 1996 B12R1.59 CCc1ccc(\C=C\C(=O)O)s1 Amb10811267 [0,2,0,0,0,0|1,1,0]=4 1997 B12R1.59 CCc1ccc(\C=C\C(C)Br)o1 Amb28199420 [0,2,0,0,0,0|1,0,1]=4 1998 B12R1.59 CCc1ccc(\C=C\C(N)=O)s1 Amb27843467 [0,2,0,0,0,0|1,1,0]=4 1999 B12R1.59 CCc1ccc(\C=N\S(C)=O)o1 Amb35685190 [0,2,0,0,0,0|2,0,0]=4 2000 B12R1.59 CCc1cnc(\C=C\C(C)=O)s1 Amb27844127 [0,2,0,0,0,0|1,1,0]=4 2001 B12R1.59 CCn1ccc(\C=C\C(C)=O)n1 Amb33147147 [0,2,0,0,0,0|2,0,0]=4 2002 B12R1.59 COc1cc(\C=C\C(=O)O)on1 Amb26361131 [0,2,0,0,0,0|2,0,0]=4 2003 B12R1.59 COc1cc(\C=C\C(C)=O)on1 Amb32727243 [0,2,0,0,0,0|1,0,0]=3 2004 B12R1.59 COc1csc(\C=C\C(=O)O)c1 Amb24512205 [0,2,0,0,0,0|1,1,0]=4 2005 B12R1.59 COc1ncc(\C=C\C(C)=O)s1 Amb33359270 [0,2,0,0,0,0|1,1,0]=4 2006 B12R1.59 CSc1ccc(\C=C\C(=O)O)o1 Amb18648894 [0,2,0,0,0,0|1,0,0]=3 2007 B12R1.59 CSc1ccc(\C=C\C(=O)O)s1 Amb26055221 [0,2,0,0,0,0|1,1,0]=4 2008 B12R1.59 CSc1ccc(\C=C\C(C)=O)s1 Amb3429807 [0,2,0,0,0,0|0,1,0]=3 2009 B12R1.59 CSc1ccc(\C=C\C(N)=O)s1 Amb26421575 [0,2,0,0,0,0|1,1,0]=4 2010 B12R1.59 N#Cc1ccc(\C=C\C(=O)O)s1 Amb25310975 [0,2,0,0,0,0|1,1,0]=4 2011 B12R1.59 N#Cc1csc(\C=C\C(=O)O)c1 Amb25211288 [0,2,0,0,0,0|1,1,0]=4 2012 B12R1.59 NC(=O)\C=C\c1ccc(CO)o1 Amb25340943 [0,2,0,0,0,0|1,0,0]=3 2013 B12R1.59 O=C(O)\C=C\c1cc(CO)co1 Amb26421719 [0,2,0,0,0,0|1,0,0]=3 2014 B12R1.59 O=C(O)\C=C\c1cc(CO)cs1 Amb10607473 [0,2,0,0,0,0|1,1,0]=4 2015 B12R1.59 O=C(O)\C=C\c1ccc(CO)o1 Amb2698057 [0,2,0,0,0,0|1,0,0]=3 2016 B12R1.59 O=C(O)\C=C\c1ccc(CO)s1 Amb18981856 [0,2,0,0,0,0|1,1,0]=4 2017 B12R1.59 O=Cc1ccc(\C=C\C(=O)O)o1 Amb32665280 [0,2,0,0,0,0|1,0,0]=3 2018 B12R1.103 C=C(C)CC(=O)c1ccc(Cl)o1 Amb28293402 [0,2,0,0,0,0|1,0,1]=4 2019 B12R1.103 CC(=O)CC(=O)c1cc(Br)cs1 Amb18072330 [0,2,0,0,0,0|0,1,1]=4 2020 B12R1.103 CC(=O)CC(=O)c1ccc(Br)o1 Amb25058736 [0,2,0,0,0,0|0,0,1]=3 2021 B12R1.103 CC(=O)CC(=O)c1ccc(Br)s1 Amb2700227 [0,2,0,0,0,0|0,1,1]=4 2022 B12R1.103 CC(=O)CC(=O)c1ccc(C)o1 Amb9204924 [0,2,0,0,0,0|0,0,1]=3 2023 B12R1.103 CC(=O)CC(=O)c1ccc(C)s1 Amb9204921 [0,2,0,0,0,0|0,1,1]=4 2024 B12R1.103 CC(=O)CC(=O)c1ccc(Cl)s1 Amb9297639 [0,2,0,0,0,0|0,1,1]=4 2025 B12R1.103 CC(=O)NC(=O)c1ccc(Br)s1 Amb27264904 [0,2,0,0,0,0|1,1,0]=4 2026 B12R1.103 CC(=O)NC(C)c1ccc(C)o1 Amb28350567 [0,2,0,0,0,0|1,0,1]=4 2027 B12R1.103 CC(=O)\C=C(/N)c1cc(C)on1 Amb27177500 [0,2,0,0,0,0|2,0,0]=4 2028 B12R1.103 CC(=O)\C=C(\C)c1ccc(C)s1 Amb27413658 [0,2,0,0,0,0|0,1,0]=3 2029 B12R1.103 CC(C)=CC(=O)c1ccc(Br)o1 Amb27628901 [0,2,0,0,0,0|1,0,0]=3 2030 B12R1.103 CC(C)=CC(=O)c1ccc(C)s1 Amb27474603 [0,2,0,0,0,0|1,1,0]=4 2031 B12R1.103 CC(C)=CC(N)c1ccc(Cl)o1 Amb27808314 [0,2,0,0,0,0|1,0,1]=4 2032 B12R1.103 C\C(=C/C(=O)O)c1cc(Br)cs1 Amb18072321 [0,2,0,0,0,0|1,1,0]=4 2033 B12R1.103 C\C(=C/C(=O)O)c1ccc(Br)s1 Amb17196409 [0,2,0,0,0,0|1,1,0]=4 2034 B12R1.103 C\C(=C/C(=O)O)c1ccc(Cl)s1 Amb9297646 [0,2,0,0,0,0|1,1,0]=4 2035 B12R1.103 C\C(=C\C(=O)O)c1ccc(Br)s1 Amb28245137 [0,2,0,0,0,0|1,1,0]=4 2036 B12R1.103 C\C(=C\C(C)O)c1ccc(C)o1 Amb27657003 [0,2,0,0,0,0|0,0,2]=4 2037 B12R1.103 C\C(=N\S(C)=O)c1ccc(Br)o1 Amb35718871 [0,2,0,0,0,0|2,0,0]=4 2038 B12R1.103 C\C(=N\S(C)=O)c1ccc(C)o1 Amb29858779 [0,2,0,0,0,0|2,0,0]=4 2039 B12R1.103 Cc1ccc(\C(Cl)=C\C(=O)O)s1 Amb28254879 [0,2,0,0,0,0|1,1,0]=4 2040 B12R1.103 O=C(O)\C=C(\Cl)c1ccc(Br)o1 Amb27615314 [0,2,0,0,0,0|1,0,0]=3 2041 B12R1.110 CC(=O)OCc1cc(C)c(C)o1 Amb25036189 [0,2,0,0,0,0|1,0,1]=4 2042 B12R1.110 CC(=O)\C=C\c1cc(Br)c(C)s1 Amb28195829 [0,2,0,0,0,0|0,1,0]=3 2043 B12R1.110 CC(=O)\C=C\c1cc(Br)c(Cl)s1 Amb33451089 [0,2,0,0,0,0|0,1,0]=3 2044 B12R1.110 CC(=O)\C=C\c1cc(C)n(C)n1 Amb33143576 [0,2,0,0,0,0|2,0,0]=4 2045 B12R1.110 CC(=O)\C=C\c1nc(C)c(C)o1 Amb33266722 [0,2,0,0,0,0|1,0,0]=3 2046 B12R1.110 CC(Cl)\C=C\c1cc(Br)c(Br)o1 Amb28141635 [0,2,0,0,0,0|1,0,1]=4 2047 B12R1.110 CS(=O)\N=C\c1cc(Br)c(Br)o1 Amb35693115 [0,2,0,0,0,0|2,0,0]=4 2048 B12R1.110 Cc1cc(\C=C/C(N)=O)sc1C Amb27493149 [0,2,0,0,0,0|1,1,0]=4 2049 B12R1.110 Cc1cc(\C=C\C(=O)O)oc1C Amb4477225 [0,2,0,0,0,0|1,0,0]=3 2050 B12R1.110 Cc1cc(\C=C\C(=O)O)sc1Br Amb33470082 [0,2,0,0,0,0|1,1,0]=4 2051 B12R1.110 Cc1cc(\C=C\C(=O)O)sc1C Amb25938031 [0,2,0,0,0,0|1,1,0]=4 2052 B12R1.110 Cc1cc(\C=C\C(N)=O)sc1C Amb27444799 [0,2,0,0,0,0|1,1,0]=4 2053 B12R1.110 Cc1nc(\C=C\C(=O)O)oc1C Amb33475278 [0,2,0,0,0,0|2,0,0]=4 2054 B12R1.110 Cc1sc(\C=C\C(=O)O)cc1Br Amb33242287 [0,2,0,0,0,0|1,1,0]=4 2055 B12R1.110 NC(=O)\C=C\c1cc(Br)c(Br)s1 Amb27208929 [0,2,0,0,0,0|1,1,0]=4 2056 B12R1.110 O=C(O)\C=C\c1cc(Br)c(Br)o1 Amb23537731 [0,2,0,0,0,0|1,0,0]=3 2057 B12R1.110 O=C(O)\C=C\c1cc(Br)c(Br)s1 Amb27591838 [0,2,0,0,0,0|1,1,0]=4 2058 B12R1.110 O=C(O)\C=C\c1cc(Br)c(Cl)s1 Amb27231456 [0,2,0,0,0,0|1,1,0]=4 2059 B12R1.110 O=[N+]([O-])\C=C\c1cc(Br)c(Br)o1 Amb27641617 [0,2,0,0,0,0|2,0,0]=4 2060 B12R1.861 CC(=O)CCc1oc(Br)cc1C Amb33387187 [0,2,0,0,0,0|0,0,2]=4 2061 B12R1.861 CC(=O)\C=C\c1cc(Br)nn1C Amb35633110 [0,2,0,0,0,0|2,0,0]=4 2062 B12R1.861 CC(=O)\C=C\c1cc(C)nn1C Amb33417871 [0,2,0,0,0,0|2,0,0]=4 2063 B12R1.861 CC(=O)\C=C\c1cc(C)oc1C Amb33343603 [0,2,0,0,0,0|2,0,0]=4 2064 B12R1.861 CC(=O)\C=C\c1cc(C)sc1C Amb33474408 [0,2,0,0,0,0|2,0,0]=4 2065 B12R1.861 CC(=O)\C=C\c1cc(Cl)sc1Cl Amb27760604 [0,2,0,0,0,0|2,0,0]=4 2066 B12R1.861 CC(=O)\C=C\c1nn(C)cc1C Amb32732433 [0,2,0,0,0,0|2,0,0]=4 2067 B12R1.861 CC(=O)\C=C\c1oc(Br)cc1C Amb33387184 [0,2,0,0,0,0|0,0,0]=2 2068 B12R1.861 CC(=O)\C=C\c1sc(C)cc1Br Amb33435340 [0,2,0,0,0,0|0,1,0]=3 2069 B12R1.861 Cc1cc(Br)c(\C=C\C(=O)O)s1 Amb33431369 [0,2,0,0,0,0|1,1,0]=4 2070 B12R1.861 Cc1cc(Br)oc1\C=C\C(=O)O Amb33450699 [0,2,0,0,0,0|1,0,0]=3 2071 B12R1.861 Cc1cc(Br)oc1\C=C\C(C)N Amb33387224 [0,2,0,0,0,0|1,0,1]=4 2072 B12R1.861 Cc1cc(Br)oc1\C=C\[N+](=O)[O-] Amb33450831 [0,2,0,0,0,0|2,0,0]=4 2073 B12R1.861 Cc1nc(C)c(\C=C\C(=O)O)o1 Amb26916027 [0,2,0,0,0,0|2,0,0]=4 2074 B12R1.870 CC(=O)OCc1occ(C)c1C Amb25244720 [0,2,0,0,0,0|1,0,1]=4 2075 B12R1.870 CC(=O)\C=C\c1cnc(C)n1C Amb35656527 [0,2,0,0,0,0|2,0,0]=4 2076 B12R1.870 CC(=O)\C=C\c1csc(Br)c1Br Amb2611570 [0,2,0,0,0,0|2,0,0]=4 2077 B12R1.870 CC(=O)\C=C\c1scc(C)c1Br Amb33434297 [0,2,0,0,0,0|0,1,0]=3 2078 B12R1.870 Cc1csc(\C=C\C(=O)O)c1Br Amb33433894 [0,2,0,0,0,0|1,1,0]=4 2079 B12R1.870 Cc1csc(\C=C\C(=O)O)c1Cl Amb33470078 [0,2,0,0,0,0|1,1,0]=4 2080 B12R1.144 C=C(C)CC(=O)c1occc1Br Amb29853268 [0,2,0,0,0,0|1,0,1]=4 2081 B12R1.144 C=C(C)CC(=O)c1occc1C Amb27854302 [0,2,0,0,0,0|1,0,1]=4 2082 B12R1.144 CC(=O)CC(=O)c1ocnc1C Amb27175909 [0,2,0,0,0,0|1,0,1]=4 2083 B12R1.144 CC(=O)CC(=O)c1sccc1C Amb25751460 [0,2,0,0,0,0|0,1,1]=4 2084 B12R1.144 CC(=O)NC(=O)c1occc1Br Amb30009726 [0,2,0,0,0,0|1,0,0]=3 2085 B12R1.144 CC(=O)\C=C(\C)c1sccc1C Amb28288595 [0,2,0,0,0,0|0,1,0]=3 2086 B12R1.144 CC(C)=CC(=O)c1occc1C Amb26431943 [0,2,0,0,0,0|1,0,0]=3 2087 B12R1.144 CC(C)=CC(N)c1occc1Br Amb35661719 [0,2,0,0,0,0|1,0,1]=4 2088 B12R1.144 C\C(=C/C(=O)O)c1cccn1C Amb31101947 [0,2,0,0,0,0|2,0,0]=4 2089 B12R1.144 C\C(=C\C(=O)O)c1cccn1C Amb28188806 [0,2,0,0,0,0|2,0,0]=4 2090 B12R1.144 NC(=O)NC(=O)c1occc1Br Amb35743170 [0,2,0,0,0,0|2,0,0]=4 2091 B12R1.259 CC(=O)CC(C)(C)c1ccco1 Amb27600531 [0,2,0,0,0,0|0,0,2]=4 2092 B12R1.265 CS(=O)(=O)CC(=O)c1ccco1 Amb19071540 [0,2,0,0,0,0|1,0,1]=4 2093 B12R1.476 CC(=O)CC(C#N)c1ccco1 Amb25795308 [0,2,0,0,0,0|0,0,2]=4 2094 B12R1.476 CC(=O)NC(C#N)c1ccco1 Amb17334597 [0,2,0,0,0,0|1,0,1]=4 2095 B12R1.476 CC(=O)OC(C#N)c1ccco1 Amb4017669 [0,2,0,0,0,0|1,0,1]=4 2096 B12R1.476 CCC(CC(C)=O)c1ccco1 Amb5494067 [0,2,0,0,0,0|0,0,2]=4 2097 B12R1.476 CC\C(=C/C(=O)O)c1cccs1 Amb5738401 [0,2,0,0,0,0|1,1,0]=4 2098 B12R1.476 CC\C(=C\C(=O)O)c1ccco1 Amb18299853 [0,2,0,0,0,0|1,0,0]=3 2099 B12R1.476 CC\C(=C\C(C)=O)c1cccs1 Amb27166801 [0,2,0,0,0,0|0,1,0]=3 2100 B12R1.476 CC\C(=N\S(C)=O)c1ccco1 Amb35693128 [0,2,0,0,0,0|2,0,0]=4 2101 B12R1.476 C\C=C(\NC(C)=O)c1ccco1 Amb27602204 [0,2,0,0,0,0|1,0,0]=3 2102 B12R1.476 N#C\C(=C/C(=O)[O-])c1cccs1 Amb2434820 [0,2,0,0,0,0|1,1,0]=4 2103 B12R1.476 N#C\C(=C\C(=O)[O-])c1cccs1 Amb25173929 [0,2,0,0,0,0|1,1,0]=4 2104 B12R1.81 CC(=O)\C=C/c1ccsc1C=O Amb27592919 [0,2,0,0,0,0|2,0,0]=4 2105 B12R1.81 CC(=O)\C=C\c1ccsc1C=O Amb27439094 [0,2,0,0,0,0|2,0,0]=4 2106 B12R1.81 CCc1ccsc1\C=C\C(=O)O Amb32729214 [0,2,0,0,0,0|1,1,0]=4 2107 B12R1.81 CCc1ccsc1\C=C\C(C)=O Amb32729031 [0,2,0,0,0,0|0,1,0]=3 2108 B12R1.81 CCn1cccc1\C=C\C(=O)O Amb17116514 [0,2,0,0,0,0|2,0,0]=4 2109 B12R1.81 CCn1ccnc1\C=C\C(C)=O Amb33415599 [0,2,0,0,0,0|2,0,0]=4 2110 B12R1.81 CCn1cncc1\C=C\C(C)=O Amb33473891 [0,2,0,0,0,0|2,0,0]=4 2111 B12R1.81 CCn1nccc1\C=C\C(C)=O Amb33172027 [0,2,0,0,0,0|2,0,0]=4 2112 B12R1.81 COc1ccsc1\C=C\C(=O)O Amb24740865 [0,2,0,0,0,0|1,1,0]=4 2113 B12R1.895 CC(=O)\C=C\c1c(Br)cnn1C Amb28127878 [0,2,0,0,0,0|2,0,0]=4 2114 B12R1.895 CC(=O)\C=C\c1c(C)cnn1C Amb33424412 [0,2,0,0,0,0|2,0,0]=4 2115 B12R1.895 CC(=O)\C=C\c1c(Cl)ncn1C Amb33222486 [0,2,0,0,0,0|2,0,0]=4 2116 B10R1.10 Cc1cccc(\C=C/Cl)c1 Amb27823592 [0,0,1,1,0,0|2,0,0]=4 2117 B10R1.10 Cc1cccc(\C=C\Br)c1 Amb27260630 [0,0,1,1,0,0|2,0,0]=4 2118 B10R1.10 Cc1cccc(\C=C\Cl)c1 Amb27231853 [0,0,1,1,0,0|2,0,0]=4 2119 B10R1.10 Cc1cccc(\C=N/O)n1 Amb2716321 [0,0,1,1,0,0|2,0,0]=4 2120 B10R1.10 Cc1cccc(\C=N\O)c1 Amb18041948 [0,0,1,1,0,0|2,0,0]=4 2121 B10R1.10 Cc1cccc(\C=N\O)n1 Amb2099576 [0,0,1,1,0,0|2,0,0]=4 2122 B10R1.18 CC(=O)Cc1ccccc1 Amb4136401 [0,0,1,1,0,0|1,0,1]=4 2123 B10R1.18 CC(=O)Cc1ccccn1 Amb33527266 [0,0,1,1,0,0|1,0,1]=4 2124 B10R1.18 CC(=O)Cc1cccnc1 Amb10608569 [0,0,1,1,0,0|1,0,1]=4 2125 B10R1.18 CC(=O)Cc1cccnc1 Amb22587708 [0,0,1,1,0,0|1,0,1]=4 2126 B10R1.18 CC(=O)Nc1ccccc1 Amb6346349 [0,0,1,1,0,0|2,0,0]=4 2127 B10R1.18 CC(=O)Nc1ccccn1 Amb6374183 [0,0,1,1,0,0|2,0,0]=4 2128 B10R1.18 CC(=O)Nc1cccnc1 Amb6608635 [0,0,1,1,0,0|2,0,0]=4 2129 B10R1.18 CC(=O)Oc1cccnc1 Amb6297781 [0,0,1,1,0,0|2,0,0]=4 2130 B10R1.18 CC(=O)Sc1ccccc1 Amb10575810 [0,0,1,1,0,0|2,0,0]=4 2131 B10R1.18 CC(=O)Sc1cccnc1 Amb27429372 [0,0,1,1,0,0|2,0,0]=4 2132 B10R1.18 CC(C)=Cc1ccccc1 Amb6296059 [0,0,1,1,0,0|2,0,0]=4 2133 B10R1.18 C\C(O)=C/c1ccccc1 Amb24095309 [0,0,1,1,0,0|1,0,1]=4 2134 B10R1.39 C=Cc1ccsc1C(C)=O Amb32682053 [0,0,1,1,0,0|2,0,0]=4 2135 B10R1.39 C=Cc1occc1C(=O)O Amb27946775 [0,0,1,1,0,0|1,0,0]=3 2136 B10R1.39 C=Cn1cccc1C(C)=O Amb27950376 [0,0,1,1,0,0|2,0,0]=4 2137 B10R1.39 CC(=O)C1=CC=C\C1=C/O Amb17593449 [0,0,1,1,0,0|0,0,0]=2 2138 B10R1.39 CC(=O)c1ccoc1C=O Amb28208491 [0,0,1,1,0,0|1,0,0]=3 2139 B10R1.39 CC(=O)c1sccc1C=O Amb27811046 [0,0,1,1,0,0|1,0,1]=4 2140 B10R1.39 CC(=O)n1cccc1C=O Amb17215882 [0,0,1,1,0,0|1,0,1]=4 2141 B10R1.39 COc1occc1C(C)=O Amb26021214 [0,0,1,1,0,0|1,0,1]=4 2142 B10R1.39 O=Cc1occc1C(=O)O Amb18202919 [0,0,1,1,0,0|2,0,0]=4 2143 B10R1.61 C=C(C)c1ccccc1Br Amb25797043 [0,0,1,1,0,0|2,0,0]=4 2144 B10R1.61 C=C(C)c1ccccc1C Amb22043466 [0,0,1,1,0,0|2,0,0]=4 2145 B10R1.61 C=C(C)c1ccccc1Cl Amb24720539 [0,0,1,1,0,0|2,0,0]=4 2146 B10R1.61 C=C(C)c1ccccc1F Amb27838932 [0,0,1,1,0,0|2,0,0]=4 2147 B10R1.61 C=C(C)c1ccccc1N Amb3940451 [0,0,1,1,0,0|2,0,0]=4 2148 B10R1.61 C=C(C)c1ccccc1O Amb18124426 [0,0,1,1,0,0|1,0,0]=3 2149 B10R1.61 CC(=O)C1=CC=CNC1=O Amb18263217 [0,0,1,1,0,0|1,0,1]=4 2150 B10R1.61 CC(=O)C1=CC=COC1=O Amb26018895 [0,0,1,1,0,0|1,0,1]=4 2151 B10R1.61 CC(=O)C1=CNC=CC1=O Amb22522167 [0,0,1,1,0,0|1,0,1]=4 2152 B10R1.61 CC(=O)c1cccc[n+]1C Amb32455992 [0,0,1,1,0,0|2,0,0]=4 2153 B10R1.61 CC(=O)c1ccccc1Br Amb1232838 [0,0,1,1,0,0|1,0,0]=3 2154 B10R1.61 CC(=O)c1ccccc1C Amb2792441 [0,0,1,1,0,0|1,0,0]=3 2155 B10R1.61 CC(=O)c1ccccc1Cl Amb2685746 [0,0,1,1,0,0|1,0,0]=3 2156 B10R1.61 CC(=O)c1ccccc1F Amb2688005 [0,0,1,1,0,0|1,0,0]=3 2157 B10R1.61 CC(=O)c1ccccc1I Amb8517635 [0,0,1,1,0,0|1,0,0]=3 2158 B10R1.61 CC(=O)c1ccccc1N Amb2725478 [0,0,1,1,0,0|1,0,0]=3 2159 B10R1.61 CC(=O)c1ccccc1N Amb6296708 [0,0,1,1,0,0|1,0,0]=3 2160 B10R1.61 CC(=O)c1ccccc1O Amb2792764 [0,0,1,1,0,0|0,0,0]=2 2161 B10R1.61 CC(=O)c1ccccc1S Amb22396354 [0,0,1,1,0,0|0,1,0]=3 2162 B10R1.61 CC(=O)c1cccnc1Br Amb10602206 [0,0,1,1,0,0|2,0,0]=4 2163 B10R1.61 CC(=O)c1cccnc1C Amb18832502 [0,0,1,1,0,0|2,0,0]=4 2164 B10R1.61 CC(=O)c1cccnc1Cl Amb6384399 [0,0,1,1,0,0|2,0,0]=4 2165 B10R1.61 CC(=O)c1cccnc1F Amb2447597 [0,0,1,1,0,0|2,0,0]=4 2166 B10R1.61 CC(=O)c1cccnc1N Amb6384452 [0,0,1,1,0,0|2,0,0]=4 2167 B10R1.61 CC(=O)c1cccnc1O Amb18832396 [0,0,1,1,0,0|1,0,0]=3 2168 B10R1.61 CC(=O)c1ccncc1Br Amb21858252 [0,0,1,1,0,0|2,0,0]=4 2169 B10R1.61 CC(=O)c1ccncc1C Amb25757892 [0,0,1,1,0,0|1,0,1]=4 2170 B10R1.61 CC(=O)c1ccncc1Cl Amb22494032 [0,0,1,1,0,0|2,0,0]=4 2171 B10R1.61 CC(=O)c1ccncc1F Amb10603317 [0,0,1,1,0,0|2,0,0]=4 2172 B10R1.61 CC(=O)c1ccncc1I Amb24638217 [0,0,1,1,0,0|2,0,0]=4 2173 B10R1.61 CC(=O)c1ccncc1N Amb29083603 [0,0,1,1,0,0|2,0,0]=4 2174 B10R1.61 CC(=O)c1ccncc1N Amb8386717 [0,0,1,1,0,0|2,0,0]=4 2175 B10R1.61 CC(=O)c1ccncc1O Amb18643112 [0,0,1,1,0,0|1,0,0]=3 2176 B10R1.61 CC(=O)c1ccncc1S Amb27215298 [0,0,1,1,0,0|1,1,0]=4 2177 B10R1.61 CC(=O)c1cnccc1Br Amb26868083 [0,0,1,1,0,0|2,0,0]=4 2178 B10R1.61 CC(=O)c1cnccc1C Amb21964244 [0,0,1,1,0,0|2,0,0]=4 2179 B10R1.61 CC(=O)c1cnccc1C Amb3319273 [0,0,1,1,0,0|2,0,0]=4 2180 B10R1.61 CC(=O)c1cnccc1Cl Amb27405519 [0,0,1,1,0,0|2,0,0]=4 2181 B10R1.61 CC(=O)c1cnccc1F Amb22233738 [0,0,1,1,0,0|2,0,0]=4 2182 B10R1.61 CC(=O)c1cnccc1N Amb23401918 [0,0,1,1,0,0|2,0,0]=4 2183 B10R1.61 CC(=O)c1ncccc1Br Amb19959407 [0,0,1,1,0,0|2,0,0]=4 2184 B10R1.61 CC(=O)c1ncccc1C Amb10067752 [0,0,1,1,0,0|2,0,0]=4 2185 B10R1.61 CC(=O)c1ncccc1Cl Amb22233858 [0,0,1,1,0,0|2,0,0]=4 2186 B10R1.61 CC(=O)c1ncccc1F Amb8396921 [0,0,1,1,0,0|2,0,0]=4 2187 B10R1.61 CC(=O)c1ncccc1I Amb23402738 [0,0,1,1,0,0|2,0,0]=4 2188 B10R1.61 CC(=O)c1ncccc1N Amb2695009 [0,0,1,1,0,0|2,0,0]=4 2189 B10R1.61 CC(=O)c1ncccc1O Amb16233269 [0,0,1,1,0,0|1,0,0]=3 2190 B10R1.61 CC(=S)c1ccccc1I Amb28315750 [0,0,1,1,0,0|1,1,0]=4 2191 B10R1.61 CC(C)c1ccccc1O Amb3939541 [0,0,1,1,0,0|1,0,1]=4 2192 B10R1.61 CC(N)c1ccccc1O Amb1120555 [0,0,1,1,0,0|1,0,1]=4 2193 B10R1.61 CC(N)c1ccccc1O Amb6892529 [0,0,1,1,0,0|1,0,1]=4 2194 B10R1.61 CC(O)c1ccccc1O Amb6705780 [0,0,1,1,0,0|0,0,2]=4 2195 B10R1.61 CC(S)c1ccccc1O Amb7784683 [0,0,1,1,0,0|0,1,1]=4 2196 B10R1.61 CN(C)c1ccccc1O Amb8439130 [0,0,1,1,0,0|2,0,0]=4 2197 B10R1.61 CS(=O)c1ccccc1Br Amb19891620 [0,0,1,1,0,0|2,0,0]=4 2198 B10R1.61 CS(=O)c1ccccc1F Amb10839323 [0,0,1,1,0,0|2,0,0]=4 2199 B10R1.61 CS(=O)c1ccccc1I Amb19930098 [0,0,1,1,0,0|2,0,0]=4 2200 B10R1.61 CS(=O)c1ccccc1N Amb18945203 [0,0,1,1,0,0|2,0,0]=4 2201 B10R1.61 CS(=O)c1ccccc1O Amb2420338 [0,0,1,1,0,0|1,0,0]=3 2202 B10R1.61 C[C@@H](N)c1ccccc1O Amb22748922 [0,0,1,1,0,0|1,0,1]=4 2203 B10R1.61 C[C@@H](N)c1ccccc1O Amb2699152 [0,0,1,1,0,0|1,0,1]=4 2204 B10R1.61 C[C@@H](O)c1ccccc1O Amb27664097 [0,0,1,1,0,0|0,0,2]=4 2205 B10R1.61 C[C@H](N)c1ccccc1O Amb2699153 [0,0,1,1,0,0|1,0,1]=4 2206 B10R1.61 C[C@H](N)c1ccccc1O Amb32671097 [0,0,1,1,0,0|1,0,1]=4 2207 B10R1.61 C[C@H](O)c1ccccc1O Amb24476869 [0,0,1,1,0,0|0,0,2]=4 2208 B10R1.61 Cc1ccccc1C(=O)Br Amb17844075 [0,0,1,1,0,0|2,0,0]=4 2209 B10R1.61 Cc1ccccc1C(=O)Cl Amb3939039 [0,0,1,1,0,0|2,0,0]=4 2210 B10R1.61 Cc1ccccc1C(=O)O Amb2609023 [0,0,1,1,0,0|2,0,0]=4 2211 B10R1.61 Cc1ccccc1C(N)=O Amb2720842 [0,0,1,1,0,0|2,0,0]=4 2212 B10R1.61 N=C(N)c1ccccc1O Amb2696249 [0,0,1,1,0,0|2,0,0]=4 2213 B10R1.61 N=C(N)c1ccccc1O Amb8630174 [0,0,1,1,0,0|2,0,0]=4 2214 B10R1.61 NC(=O)c1ccccc1Br Amb2684949 [0,0,1,1,0,0|2,0,0]=4 2215 B10R1.61 NC(=O)c1ccccc1Cl Amb2611996 [0,0,1,1,0,0|2,0,0]=4 2216 B10R1.61 NC(=O)c1ccccc1F Amb1221270 [0,0,1,1,0,0|2,0,0]=4 2217 B10R1.61 NC(=O)c1ccccc1I Amb2384520 [0,0,1,1,0,0|2,0,0]=4 2218 B10R1.61 NC(=O)c1ccccc1N Amb1212111 [0,0,1,1,0,0|2,0,0]=4 2219 B10R1.61 NC(=O)c1ccccc1O Amb1935248 [0,0,1,1,0,0|1,0,0]=3 2220 B10R1.61 NC(=O)c1ccccc1S Amb6256729 [0,0,1,1,0,0|1,1,0]=4 2221 B10R1.61 NC(=O)c1cccnc1O Amb18643213 [0,0,1,1,0,0|2,0,0]=4 2222 B10R1.61 NC(=O)c1ccncc1O Amb23401565 [0,0,1,1,0,0|2,0,0]=4 2223 B10R1.61 NC(=O)c1cnccc1O Amb5493990 [0,0,1,1,0,0|2,0,0]=4 2224 B10R1.61 NC(=O)c1ncccc1O Amb6600564 [0,0,1,1,0,0|2,0,0]=4 2225 B10R1.61 NC(=S)c1ccccc1O Amb33538948 [0,0,1,1,0,0|1,1,0]=4 2226 B10R1.61 Nc1ccccc1C(=O)O Amb1933714 [0,0,1,1,0,0|2,0,0]=4 2227 B10R1.61 O=C(Cl)c1ccccc1Br Amb2684955 [0,0,1,1,0,0|2,0,0]=4 2228 B10R1.61 O=C(Cl)c1ccccc1Cl Amb3939030 [0,0,1,1,0,0|2,0,0]=4 2229 B10R1.61 O=C(Cl)c1ccccc1F Amb2688032 [0,0,1,1,0,0|2,0,0]=4 2230 B10R1.61 O=C(Cl)c1ccccc1I Amb3939135 [0,0,1,1,0,0|2,0,0]=4 2231 B10R1.61 O=C(Cl)c1ccccc1O Amb6743363 [0,0,1,1,0,0|1,0,0]=3 2232 B10R1.61 O=C(Cl)c1ccccc1S Amb25770152 [0,0,1,1,0,0|1,1,0]=4 2233 B10R1.61 O=C(Cl)c1cccnc1O Amb24371117 [0,0,1,1,0,0|2,0,0]=4 2234 B10R1.61 O=C(Cl)c1cnccc1O Amb27778038 [0,0,1,1,0,0|2,0,0]=4 2235 B10R1.61 O=C(Cl)c1ncccc1O Amb25939920 [0,0,1,1,0,0|2,0,0]=4 2236 B10R1.61 O=C(O)c1ccccc1Br Amb6365362 [0,0,1,1,0,0|2,0,0]=4 2237 B10R1.61 O=C(O)c1ccccc1Cl Amb1935156 [0,0,1,1,0,0|2,0,0]=4 2238 B10R1.61 O=C(O)c1ccccc1F Amb2688022 [0,0,1,1,0,0|2,0,0]=4 2239 B10R1.61 O=C(O)c1ccccc1I Amb6446255 [0,0,1,1,0,0|2,0,0]=4 2240 B10R1.61 O=C(O)c1ccccc1O Amb1912504 [0,0,1,1,0,0|1,0,0]=3 2241 B10R1.61 O=C(O)c1ccccc1S Amb901970 [0,0,1,1,0,0|1,1,0]=4 2242 B10R1.61 O=C(O)c1cccnc1O Amb1950661 [0,0,1,1,0,0|2,0,0]=4 2243 B10R1.61 O=C(O)c1ccncc1O Amb2609529 [0,0,1,1,0,0|2,0,0]=4 2244 B10R1.61 O=C(O)c1cnccc1O Amb1420333 [0,0,1,1,0,0|2,0,0]=4 2245 B10R1.61 O=C(O)c1ncccc1O Amb2610788 [0,0,1,1,0,0|2,0,0]=4 2246 B10R1.61 O=C([O-])c1ccccc1Cl Amb2610308 [0,0,1,1,0,0|2,0,0]=4 2247 B10R1.61 O=C([O-])c1ccccc1F Amb8397063 [0,0,1,1,0,0|2,0,0]=4 2248 B10R1.61 O=C([O-])c1ccccc1O Amb20246478 [0,0,1,1,0,0|1,0,0]=3 2249 B10R1.61 O=C([O-])c1ccccc1O Amb22338523 [0,0,1,1,0,0|1,0,0]=3 2250 B10R1.61 O=C([O-])c1ccccc1O Amb22732059 [0,0,1,1,0,0|1,0,0]=3 2251 B10R1.61 O=C([O-])c1ccccc1O Amb6383226 [0,0,1,1,0,0|1,0,0]=3 2252 B10R1.61 O=C([O-])c1ccccc1O Amb8485790 [0,0,1,1,0,0|1,0,0]=3 2253 B10R1.61 O=C([O-])c1cccnc1O Amb2609528 [0,0,1,1,0,0|2,0,0]=4 2254 B10R1.61 O=C([O-])c1cnccc1O Amb2609530 [0,0,1,1,0,0|2,0,0]=4 2255 B10R1.61 O=N(=O)c1ccccc1O Amb8396530 [0,0,1,1,0,0|2,0,0]=4 2256 B10R1.61 O=S([O-])c1ccccc1O Amb32755496 [0,0,1,1,0,0|2,0,0]=4 2257 B10R1.61 O=[N+]([O-])c1ccccc1O Amb6387467 [0,0,1,1,0,0|2,0,0]=4 2258 B10R1.61 OC(=S)c1ccccc1O Amb22734424 [0,0,1,1,0,0|1,0,1]=4 2259 B10R1.61 Oc1ccccc1C(=S)S Amb4021959 [0,0,1,1,0,0|1,1,0]=4 2260 B10R1.348 CC(=O)C1=CC=CC=CN1 Amb25921212 [0,0,1,1,0,0|1,0,0]=3 2261 B10R1.348 CC(=O)C1=CCC=CC=C1 Amb27164696 [0,0,1,1,0,0|1,0,1]=4 2262 B10R1.348 CC(=O)C1C=CC=CC=C1 Amb26859041 [0,0,1,1,0,0|1,0,1]=4 2263 B10R1.348 O=C(Cl)C1=CC=CC=CC1 Amb25374042 [0,0,1,1,0,0|2,0,0]=4 2264 B10R1.348 O=C(O)C1=CC=CC=CC1 Amb27948020 [0,0,1,1,0,0|2,0,0]=4 2265 B10R1.348 O=C(O)C1=CC=CC=CO1 Amb27453492 [0,0,1,1,0,0|1,0,0]=3 2266 B10R1.348 O=C(O)C1=CC=CCC=C1 Amb27425007 [0,0,1,1,0,0|2,0,0]=4 2267 B10R1.31 C=Cc1ccc(C(C)=O)s1 Amb28145327 [0,0,1,1,0,0|2,0,0]=4 2268 B10R1.31 C=Cc1csc(C(C)=O)c1 Amb27841466 [0,0,1,1,0,0|2,0,0]=4 2269 B10R1.31 C=Cc1nc(C(=O)O)co1 Amb27473286 [0,0,1,1,0,0|2,0,0]=4 2270 B10R1.31 C=Cn1cc(C(C)=O)cn1 Amb32726774 [0,0,1,1,0,0|2,0,0]=4 2271 B10R1.31 C=Cn1ccc(C(C)=O)c1 Amb27254123 [0,0,1,1,0,0|2,0,0]=4 2272 B10R1.31 CC(=O)c1coc(CN)c1 Amb33447084 [0,0,1,1,0,0|1,0,1]=4 2273 B10R1.31 CCc1cc(C(C)=O)co1 Amb27227169 [0,0,1,1,0,0|0,0,2]=4 2274 B10R1.31 COc1ccc(C(C)=O)s1 Amb28126809 [0,0,1,1,0,0|1,0,1]=4 2275 B10R1.31 O=Cc1cc(C(=O)O)co1 Amb18202918 [0,0,1,1,0,0|2,0,0]=4 2276 B10R1.197 COC1=CC=CC(=O)C=C1 Amb27802670 [0,0,1,1,0,0|0,0,2]=4 2277 B10R1.1 C=CCc1ccc(C)cc1 Amb6298999 [0,0,1,1,0,0|2,0,0]=4 2278 B10R1.1 C=CCc1ccc(C)nc1 Amb27450290 [0,0,1,1,0,0|2,0,0]=4 2279 B10R1.1 C=COc1ccc(Br)cc1 Amb24366552 [0,0,1,1,0,0|1,0,1]=4 2280 B10R1.1 C=COc1ccc(C)cc1 Amb17674188 [0,0,1,1,0,0|1,0,0]=3 2281 B10R1.1 C=COc1ccc(Cl)cc1 Amb28422277 [0,0,1,1,0,0|1,0,1]=4 2282 B10R1.1 C=COc1ccc(I)cc1 Amb24753381 [0,0,1,1,0,0|1,0,1]=4 2283 B10R1.1 C=COc1ccc(N)cc1 Amb2721808 [0,0,1,1,0,0|1,0,1]=4 2284 B10R1.1 C=CSc1ccc(C)cc1 Amb24375563 [0,0,1,1,0,0|1,1,0]=4 2285 B10R1.1 Cc1ccc(OC=O)cc1 Amb25248584 [0,0,1,1,0,0|2,0,0]=4 2286 B10R1.30 C=Cc1cc(Br)ccc1O Amb26598865 [0,0,1,1,0,0|1,0,1]=4 2287 B10R1.30 C=Cc1cc(C)ccc1Br Amb33477544 [0,0,1,1,0,0|2,0,0]=4 2288 B10R1.30 C=Cc1cc(C)ccc1C Amb3940472 [0,0,1,1,0,0|2,0,0]=4 2289 B10R1.30 C=Cc1cc(C)ccc1Cl Amb33260785 [0,0,1,1,0,0|2,0,0]=4 2290 B10R1.30 C=Cc1cc(C)ccc1F Amb26507719 [0,0,1,1,0,0|2,0,0]=4 2291 B10R1.30 C=Cc1cc(C)ccc1N Amb27473325 [0,0,1,1,0,0|2,0,0]=4 2292 B10R1.30 C=Cc1cc(C)ccc1O Amb24714553 [0,0,1,1,0,0|1,0,0]=3 2293 B10R1.30 C=Cc1cc(C)ncc1O Amb26503954 [0,0,1,1,0,0|2,0,0]=4 2294 B10R1.30 C=Cc1cc(Cl)ccc1O Amb27855512 [0,0,1,1,0,0|1,0,1]=4 2295 B10R1.30 C=Cc1cc(F)ccc1O Amb22899615 [0,0,1,1,0,0|1,0,1]=4 2296 B10R1.30 C=Cc1cc(O)ccc1O Amb17593445 [0,0,1,1,0,0|0,0,2]=4 2297 B10R1.30 C=Cc1nc(C)ccc1C Amb25196622 [0,0,1,1,0,0|2,0,0]=4 2298 B10R1.30 C=Cc1nc(C)ccc1Cl Amb27783868 [0,0,1,1,0,0|2,0,0]=4 2299 B10R1.30 C=Cc1nc(C)ccc1F Amb24696770 [0,0,1,1,0,0|2,0,0]=4 2300 B10R1.30 C=Cc1nc(C)ccc1N Amb25841709 [0,0,1,1,0,0|2,0,0]=4 2301 B10R1.30 C=Cc1nc(C)ccc1O Amb26080156 [0,0,1,1,0,0|1,0,0]=3 2302 B10R1.30 C=Cc1nc(Cl)ccc1O Amb25354888 [0,0,1,1,0,0|2,0,0]=4 2303 B10R1.30 C=Cc1nc(F)ccc1O Amb24436835 [0,0,1,1,0,0|2,0,0]=4 2304 B10R1.30 C=Cc1nc(N)ccc1O Amb25935019 [0,0,1,1,0,0|2,0,0]=4 2305 B10R1.30 Cc1ccc(O)c(C=O)c1 Amb1814688 [0,0,1,1,0,0|2,0,0]=4 2306 B10R1.30 Cc1ccc(O)c(C=O)n1 Amb10608389 [0,0,1,1,0,0|2,0,0]=4 2307 B10R1.30 Cc1ccc(O)c(C=S)c1 Amb28141262 [0,0,1,1,0,0|2,0,0]=4 2308 B10R1.59 C=C1CC(C(C)=O)=C(C)O1 Amb27762556 [0,0,1,1,0,0|0,0,2]=4 2309 B10R1.59 CC(=O)c1cc(Br)oc1C Amb27238946 [0,0,1,1,0,0|1,0,1]=4 2310 B10R1.59 CC(=O)c1cc(C)oc1C Amb3940516 [0,0,1,1,0,0|0,0,2]=4 2311 B10R1.59 CC(=O)c1cc(C)oc1O Amb24524533 [0,0,1,1,0,0|1,0,1]=4 2312 B10R1.113 C=C(C)c1cccc(Br)c1 Amb24448711 [0,0,1,1,0,0|2,0,0]=4 2313 B10R1.113 C=C(C)c1cccc(C)c1 Amb10844683 [0,0,1,1,0,0|2,0,0]=4 2314 B10R1.113 C=C(C)c1cccc(Cl)c1 Amb24088166 [0,0,1,1,0,0|2,0,0]=4 2315 B10R1.113 C=C(C)c1cccc(F)c1 Amb25133875 [0,0,1,1,0,0|2,0,0]=4 2316 B10R1.113 C=C(C)c1cccc(N)c1 Amb17107084 [0,0,1,1,0,0|2,0,0]=4 2317 B10R1.113 C=C(C)c1cccc(O)c1 Amb18124424 [0,0,1,1,0,0|1,0,0]=3 2318 B10R1.113 CC(=O)C1=CC(=O)NC=C1 Amb33545567 [0,0,1,1,0,0|1,0,1]=4 2319 B10R1.113 CC(=O)C1=CC=CC(=O)N1 Amb22372289 [0,0,1,1,0,0|1,0,1]=4 2320 B10R1.113 CC(=O)c1cc(Br)ccn1 Amb21858737 [0,0,1,1,0,0|2,0,0]=4 2321 B10R1.113 CC(=O)c1cc(C)ccn1 Amb8392275 [0,0,1,1,0,0|2,0,0]=4 2322 B10R1.113 CC(=O)c1cc(Cl)ccn1 Amb10603326 [0,0,1,1,0,0|2,0,0]=4 2323 B10R1.113 CC(=O)c1cc(F)ccn1 Amb25689744 [0,0,1,1,0,0|2,0,0]=4 2324 B10R1.113 CC(=O)c1cc(N)ccn1 Amb23401922 [0,0,1,1,0,0|2,0,0]=4 2325 B10R1.113 CC(=O)c1cc(O)ccn1 Amb23399916 [0,0,1,1,0,0|1,0,0]=3 2326 B10R1.113 CC(=O)c1ccc[n+](C)c1 Amb32455996 [0,0,1,1,0,0|2,0,0]=4 2327 B10R1.113 CC(=O)c1ccc[n+]([O-])c1 Amb2612063 [0,0,1,1,0,0|1,0,1]=4 2328 B10R1.113 CC(=O)c1cccc(Br)c1 Amb2684932 [0,0,1,1,0,0|1,0,0]=3 2329 B10R1.113 CC(=O)c1cccc(Br)n1 Amb2786648 [0,0,1,1,0,0|2,0,0]=4 2330 B10R1.113 CC(=O)c1cccc(C)c1 Amb3940080 [0,0,1,1,0,0|1,0,0]=3 2331 B10R1.113 CC(=O)c1cccc(C)n1 Amb10069245 [0,0,1,1,0,0|2,0,0]=4 2332 B10R1.113 CC(=O)c1cccc(Cl)c1 Amb3940078 [0,0,1,1,0,0|1,0,0]=3 2333 B10R1.113 CC(=O)c1cccc(Cl)n1 Amb10603338 [0,0,1,1,0,0|2,0,0]=4 2334 B10R1.113 CC(=O)c1cccc(F)c1 Amb2688006 [0,0,1,1,0,0|1,0,0]=3 2335 B10R1.113 CC(=O)c1cccc(F)n1 Amb21857925 [0,0,1,1,0,0|2,0,0]=4 2336 B10R1.113 CC(=O)c1cccc(I)c1 Amb2688831 [0,0,1,1,0,0|1,0,0]=3 2337 B10R1.113 CC(=O)c1cccc(N)c1 Amb2684314 [0,0,1,1,0,0|1,0,0]=3 2338 B10R1.113 CC(=O)c1cccc(N)n1 Amb23401921 [0,0,1,1,0,0|2,0,0]=4 2339 B10R1.113 CC(=O)c1cccc(O)c1 Amb2792768 [0,0,1,1,0,0|0,0,0]=2 2340 B10R1.113 CC(=O)c1cccc(S)c1 Amb19374493 [0,0,1,1,0,0|0,1,0]=3 2341 B10R1.113 CC(=O)c1ccnc(Br)c1 Amb10069912 [0,0,1,1,0,0|2,0,0]=4 2342 B10R1.113 CC(=O)c1ccnc(Br)c1 Amb21964445 [0,0,1,1,0,0|2,0,0]=4 2343 B10R1.113 CC(=O)c1ccnc(C)c1 Amb19957654 [0,0,1,1,0,0|1,0,1]=4 2344 B10R1.113 CC(=O)c1ccnc(Cl)c1 Amb6384342 [0,0,1,1,0,0|2,0,0]=4 2345 B10R1.113 CC(=O)c1ccnc(F)c1 Amb33543793 [0,0,1,1,0,0|2,0,0]=4 2346 B10R1.113 CC(=O)c1ccnc(N)c1 Amb18643066 [0,0,1,1,0,0|2,0,0]=4 2347 B10R1.113 CC(=O)c1ccnc(O)c1 Amb27259914 [0,0,1,1,0,0|1,0,0]=3 2348 B10R1.113 CC(=O)c1cncc(Br)c1 Amb2613045 [0,0,1,1,0,0|2,0,0]=4 2349 B10R1.113 CC(=O)c1cncc(C)c1 Amb21964245 [0,0,1,1,0,0|2,0,0]=4 2350 B10R1.113 CC(=O)c1cncc(Cl)c1 Amb28254502 [0,0,1,1,0,0|2,0,0]=4 2351 B10R1.113 CC(=O)c1cncc(F)c1 Amb19374623 [0,0,1,1,0,0|2,0,0]=4 2352 B10R1.113 CC(=O)c1cncc(O)c1 Amb23399982 [0,0,1,1,0,0|1,0,0]=3 2353 B10R1.113 CC(C)c1cccc(O)c1 Amb3939550 [0,0,1,1,0,0|1,0,1]=4 2354 B10R1.113 CC(F)c1cccc(O)c1 Amb24529130 [0,0,1,1,0,0|1,0,1]=4 2355 B10R1.113 CC(N)c1cccc(O)c1 Amb33545129 [0,0,1,1,0,0|1,0,1]=4 2356 B10R1.113 CC(N)c1cccc(O)c1 Amb34913261 [0,0,1,1,0,0|1,0,1]=4 2357 B10R1.113 CC(N)c1cccc(O)c1 Amb9705322 [0,0,1,1,0,0|1,0,1]=4 2358 B10R1.113 CC(O)c1cccc(O)c1 Amb6705775 [0,0,1,1,0,0|0,0,2]=4 2359 B10R1.113 CC(S)c1cccc(O)c1 Amb7784691 [0,0,1,1,0,0|0,1,1]=4 2360 B10R1.113 CN(C)c1cccc(O)c1 Amb3940096 [0,0,1,1,0,0|2,0,0]=4 2361 B10R1.113 CS(=O)c1cccc(Br)c1 Amb19891299 [0,0,1,1,0,0|2,0,0]=4 2362 B10R1.113 CS(=O)c1cccc(Cl)c1 Amb19892202 [0,0,1,1,0,0|2,0,0]=4 2363 B10R1.113 CS(=O)c1cccc(N)c1 Amb2612466 [0,0,1,1,0,0|2,0,0]=4 2364 B10R1.113 CS(=O)c1cccc(N)c1 Amb32661803 [0,0,1,1,0,0|2,0,0]=4 2365 B10R1.113 CS(=O)c1cccc(O)c1 Amb26343856 [0,0,1,1,0,0|1,0,0]=3 2366 B10R1.113 CS(=O)c1cncc(O)c1 Amb27615092 [0,0,1,1,0,0|2,0,0]=4 2367 B10R1.113 C[C@@H](N)c1cccc(O)c1 Amb22748255 [0,0,1,1,0,0|1,0,1]=4 2368 B10R1.113 C[C@@H](N)c1cccc(O)c1 Amb8385693 [0,0,1,1,0,0|1,0,1]=4 2369 B10R1.113 C[C@@H](O)c1cccc(O)c1 Amb13952964 [0,0,1,1,0,0|0,0,2]=4 2370 B10R1.113 C[C@H](N)c1cccc(O)c1 Amb2699151 [0,0,1,1,0,0|1,0,1]=4 2371 B10R1.113 C[C@H](O)c1cccc(O)c1 Amb13952963 [0,0,1,1,0,0|0,0,2]=4 2372 B10R1.113 C[SiH](C)c1cccc(O)c1 Amb28122051 [0,0,1,1,0,0|1,1,0]=4 2373 B10R1.113 Cc1cccc(C(=O)Cl)c1 Amb3939040 [0,0,1,1,0,0|2,0,0]=4 2374 B10R1.113 Cc1cccc(C(=O)O)c1 Amb2609027 [0,0,1,1,0,0|2,0,0]=4 2375 B10R1.113 Cc1cccc(C(N)=O)c1 Amb2720843 [0,0,1,1,0,0|2,0,0]=4 2376 B10R1.113 Cc1cccc(S(C)=O)c1 Amb19892225 [0,0,1,1,0,0|2,0,0]=4 2377 B10R1.113 N=C(N)c1cccc(O)c1 Amb33552630 [0,0,1,1,0,0|2,0,0]=4 2378 B10R1.113 N=C(N)c1cccc(O)c1 Amb8831695 [0,0,1,1,0,0|2,0,0]=4 2379 B10R1.113 NC(=O)c1cccc(Br)c1 Amb2716206 [0,0,1,1,0,0|2,0,0]=4 2380 B10R1.113 NC(=O)c1cccc(Cl)c1 Amb1218066 [0,0,1,1,0,0|2,0,0]=4 2381 B10R1.113 NC(=O)c1cccc(F)c1 Amb3886563 [0,0,1,1,0,0|2,0,0]=4 2382 B10R1.113 NC(=O)c1cccc(I)c1 Amb3887764 [0,0,1,1,0,0|2,0,0]=4 2383 B10R1.113 NC(=O)c1cccc(N)c1 Amb1106189 [0,0,1,1,0,0|2,0,0]=4 2384 B10R1.113 NC(=O)c1cccc(O)c1 Amb3939531 [0,0,1,1,0,0|1,0,0]=3 2385 B10R1.113 NC(=O)c1cccc(O)n1 Amb24182048 [0,0,1,1,0,0|2,0,0]=4 2386 B10R1.113 NC(=O)c1cccc(S)c1 Amb24059371 [0,0,1,1,0,0|1,1,0]=4 2387 B10R1.113 NC(=O)c1cncc(O)c1 Amb33541953 [0,0,1,1,0,0|2,0,0]=4 2388 B10R1.113 NC(=S)c1cccc(O)c1 Amb2688797 [0,0,1,1,0,0|1,1,0]=4 2389 B10R1.113 Nc1cccc(C(=O)O)c1 Amb1935166 [0,0,1,1,0,0|2,0,0]=4 2390 B10R1.113 O=C(Br)c1cccc(Br)c1 Amb27633153 [0,0,1,1,0,0|2,0,0]=4 2391 B10R1.113 O=C(Cl)c1cc(O)ccn1 Amb27199840 [0,0,1,1,0,0|2,0,0]=4 2392 B10R1.113 O=C(Cl)c1cccc(Br)c1 Amb2691918 [0,0,1,1,0,0|2,0,0]=4 2393 B10R1.113 O=C(Cl)c1cccc(Cl)c1 Amb3939312 [0,0,1,1,0,0|2,0,0]=4 2394 B10R1.113 O=C(Cl)c1cccc(F)c1 Amb2688033 [0,0,1,1,0,0|2,0,0]=4 2395 B10R1.113 O=C(Cl)c1cccc(I)c1 Amb3939575 [0,0,1,1,0,0|2,0,0]=4 2396 B10R1.113 O=C(F)c1cccc(Br)c1 Amb28315574 [0,0,1,1,0,0|2,0,0]=4 2397 B10R1.113 O=C(F)c1cccc(Cl)c1 Amb28046129 [0,0,1,1,0,0|2,0,0]=4 2398 B10R1.113 O=C(O)c1cc(O)ccn1 Amb1303199 [0,0,1,1,0,0|2,0,0]=4 2399 B10R1.113 O=C(O)c1cccc(Br)c1 Amb264315 [0,0,1,1,0,0|2,0,0]=4 2400 B10R1.113 O=C(O)c1cccc(Cl)c1 Amb2223069 [0,0,1,1,0,0|2,0,0]=4 2401 B10R1.113 O=C(O)c1cccc(F)c1 Amb2688023 [0,0,1,1,0,0|2,0,0]=4 2402 B10R1.113 O=C(O)c1cccc(F)c1 Amb33513022 [0,0,1,1,0,0|2,0,0]=4 2403 B10R1.113 O=C(O)c1cccc(I)c1 Amb6456607 [0,0,1,1,0,0|2,0,0]=4 2404 B10R1.113 O=C(O)c1cccc(O)c1 Amb1208301 [0,0,1,1,0,0|1,0,0]=3 2405 B10R1.113 O=C(O)c1cccc(O)n1 Amb535788 [0,0,1,1,0,0|2,0,0]=4 2406 B10R1.113 O=C(O)c1cccc(S)c1 Amb5721847 [0,0,1,1,0,0|1,1,0]=4 2407 B10R1.113 O=C(O)c1ccnc(O)c1 Amb842469 [0,0,1,1,0,0|2,0,0]=4 2408 B10R1.113 O=C(O)c1cncc(O)c1 Amb2610681 [0,0,1,1,0,0|2,0,0]=4 2409 B10R1.113 O=C([O-])c1cccc(F)c1 Amb8397064 [0,0,1,1,0,0|2,0,0]=4 2410 B10R1.113 O=C([O-])c1cccc(O)c1 Amb22277134 [0,0,1,1,0,0|1,0,0]=3 2411 B10R1.113 O=N(=O)c1cccc(O)c1 Amb20621867 [0,0,1,1,0,0|2,0,0]=4 2412 B10R1.113 O=S([O-])c1cccc(O)c1 Amb27823656 [0,0,1,1,0,0|2,0,0]=4 2413 B10R1.113 O=[N+]([O-])c1cccc(O)c1 Amb1929299 [0,0,1,1,0,0|2,0,0]=4 2414 B10R1.113 [NH3+]c1cccc(C(=O)O)c1 Amb6365978 [0,0,1,1,0,0|2,0,0]=4 2415 B10R2.7 C1=CC2=NC=CCC2=C1 Amb28123850 [1,0,0,1,0,0|2,0,0]=4 2416 B10R2.7 C1=Cc2ccccc2C1 Amb2383760 [1,0,0,1,0,0|1,0,1]=4 2417 B10R2.7 C1=Cc2cccn2CS1 Amb27431938 [1,0,0,1,0,0|2,0,0]=4 2418 B10R2.7 C1=NCC2=CC=NC2=C1 Amb28054865 [1,0,0,1,0,0|2,0,0]=4 2419 B10R2.7 c1cc2ccoc2cn1 Amb10067356 [1,0,0,1,0,0|1,0,1]=4 2420 B10R2.7 c1cc2occc2cn1 Amb19895064 [1,0,0,1,0,0|1,0,1]=4 2421 B10R2.7 c1ccc2[se]ccc2c1 Amb8515166 [1,0,0,1,0,0|0,1,1]=4 2422 B10R2.7 c1ccc2occc2c1 Amb2725466 [1,0,0,1,0,0|0,0,1]=3 2423 B10R2.7 c1ccc2ocnc2c1 Amb6608831 [1,0,0,1,0,0|1,0,1]=4 2424 B10R2.7 c1ccc2oncc2c1 Amb1233398 [1,0,0,1,0,0|1,0,1]=4 2425 B10R2.7 c1ccc2sccc2c1 Amb2782006 [1,0,0,1,0,0|0,1,1]=4 2426 B10R2.7 c1ccn2cccc2c1 Amb10605601 [1,0,0,1,0,0|1,0,1]=4 2427 B10R2.7 c1cnc2cc[se]c2c1 Amb2611539 [1,0,0,1,0,0|1,1,0]=4 2428 B10R2.7 c1cnc2ccoc2c1 Amb16185654 [1,0,0,1,0,0|1,0,0]=3 2429 B10R2.7 c1cnc2ccoc2c1 Amb30585174 [1,0,0,1,0,0|1,0,0]=3 2430 B10R2.7 c1cnc2ccsc2c1 Amb10070404 [1,0,0,1,0,0|1,1,0]=4 2431 B10R2.7 c1cnc2ncoc2c1 Amb17194206 [1,0,0,1,0,0|2,0,0]=4 2432 B10R2.7 c1cnc2occc2c1 Amb21963452 [1,0,0,1,0,0|1,0,1]=4 2433 B10R2.32 O=C1C=Cc2cccn21 Amb27409386 [1,0,0,1,0,0|1,0,0]=3 2434 B10R2.32 O=C1CCc2occc21 Amb6740010 [1,0,0,1,0,0|0,0,2]=4 2435 B10R2.32 O=C1CNc2occc21 Amb18832976 [1,0,0,1,0,0|1,0,1]=4 2436 B10R2.32 O=C1NCc2occc21 Amb28367896 [1,0,0,1,0,0|1,0,1]=4 2437 B10R2.2 O=C1Cc2ccoc2C1 Amb18203345 [0,0,0,1,1,0|0,0,1]=3 2438 B10R2.2 O=C1Cc2ccsc2C1 Amb18203007 [0,0,0,1,1,0|0,1,1]=4 2439 B10R2.31 Brc1ccc2c(c1)C=C2 Amb10602639 [0,0,0,1,1,0|1,0,1]=4 2440 B10R2.31 Brc1ccc=2c(c1)=CC2 Amb15692435 [0,0,0,1,1,0|1,0,1]=4 2441 B10R2.31 Cc1ccc2c(c1)C=C2 Amb27223114 [0,0,0,1,1,0|1,0,0]=3 2442 B10R2.31 Clc1ccc2c(c1)C=C2 Amb27465841 [0,0,0,1,1,0|1,0,1]=4 2443 B10R2.31 Fc1ccc2c(c1)C=C2 Amb27234977 [0,0,0,1,1,0|1,0,1]=4 2444 B10R2.31 Ic1ccc2c(c1)C=C2 Amb27838616 [0,0,0,1,1,0|1,0,1]=4 2445 B10R2.31 Nc1ccc2c(c1)C=C2 Amb10602603 [0,0,0,1,1,0|1,0,1]=4 2446 B12R2.24 Brc1ccc2c(c1)C=CCO2 Amb22231978 [0,0,0,1,0,1|1,0,1]=4 2447 B12R2.24 Cc1ccc2c(c1)C=CCN2 Amb18062199 [0,0,0,1,0,1|2,0,0]=4 2448 B12R2.24 Cc1ccc2c(c1)C=CCO2 Amb23441455 [0,0,0,1,0,1|1,0,0]=3 2449 B12R2.24 Cc1ccc2c(n1)SC=CO2 Amb27871561 [0,0,0,1,0,1|1,0,0]=3 2450 B12R2.24 Cc1ccc2ccccc2c1 Amb6608830 [0,0,0,1,0,1|2,0,0]=4 2451 B12R2.24 Cc1ccc2ccccc2n1 Amb1151967 [0,0,0,1,0,1|2,0,0]=4 2452 B12R2.24 Cc1ccc2ccccc2n1 Amb33249592 [0,0,0,1,0,1|2,0,0]=4 2453 B12R2.24 Cc1ccc2cccnc2c1 Amb8397711 [0,0,0,1,0,1|2,0,0]=4 2454 B12R2.24 Cc1ccc2cccnc2n1 Amb2793429 [0,0,0,1,0,1|2,0,0]=4 2455 B12R2.24 Cc1ccc2ccncc2c1 Amb33544176 [0,0,0,1,0,1|2,0,0]=4 2456 B12R2.24 Cc1ccc2ccncc2n1 Amb25305156 [0,0,0,1,0,1|2,0,0]=4 2457 B12R2.24 Cc1ccc2cnccc2c1 Amb10071945 [0,0,0,1,0,1|2,0,0]=4 2458 B12R2.24 Cc1ccc2cnccc2n1 Amb23441223 [0,0,0,1,0,1|2,0,0]=4 2459 B12R2.24 Cc1ccc2ncccc2c1 Amb22235973 [0,0,0,1,0,1|2,0,0]=4 2460 B12R2.24 Cc1ccc2ncccc2c1 Amb6892169 [0,0,0,1,0,1|2,0,0]=4 2461 B12R2.24 Cc1ccc2ncccc2n1 Amb15692772 [0,0,0,1,0,1|2,0,0]=4 2462 B12R2.24 Cc1ccc2nccnc2c1 Amb2689687 [0,0,0,1,0,1|2,0,0]=4 2463 B12R2.24 Cc1ccc2nccnc2n1 Amb22000902 [0,0,0,1,0,1|2,0,0]=4 2464 B12R2.24 Clc1ccc2c(c1)C=CCO2 Amb22586260 [0,0,0,1,0,1|1,0,1]=4 2465 B12R2.24 Fc1ccc2c(c1)C=CCO2 Amb25770785 [0,0,0,1,0,1|1,0,1]=4 2466 B12R2.24 Nc1ccc2c(c1)C=CCO2 Amb23441460 [0,0,0,1,0,1|1,0,1]=4 2467 B12R2.24 O=C1C=Cc2ccccc2N1 Amb18546039 [0,0,0,1,0,1|2,0,0]=4 2468 B12R2.24 O=C1C=Cc2ccccc2O1 Amb18511466 [0,0,0,1,0,1|2,0,0]=4 2469 B12R2.24 O=C1C=Cc2ccccc2[N-]1 Amb21940629 [0,0,0,1,0,1|2,0,0]=4 2470 B12R2.24 O=C1C=Cc2ccccc2[N-]1 Amb28991227 [0,0,0,1,0,1|2,0,0]=4 2471 B12R2.24 O=C1C=Cc2cccnc2N1 Amb22001403 [0,0,0,1,0,1|2,0,0]=4 2472 B12R2.24 O=C1C=Cc2ccncc2N1 Amb22493786 [0,0,0,1,0,1|2,0,0]=4 2473 B12R2.24 O=C1C=Cc2ccncc2O1 Amb24395883 [0,0,0,1,0,1|2,0,0]=4 2474 B12R2.24 O=C1C=Cc2cnccc2N1 Amb21618693 [0,0,0,1,0,1|2,0,0]=4 2475 B12R2.24 O=C1C=Cc2ncccc2N1 Amb21856966 [0,0,0,1,0,1|2,0,0]=4 2476 B12R2.24 O=C1C=Cc2nccnc2N1 Amb19957771 [0,0,0,1,0,1|2,0,0]=4 2477 B12R2.24 O=C1C=Cc2ncncc2N1 Amb21811941 [0,0,0,1,0,1|2,0,0]=4 2478 B12R2.24 OC1=CC=C2C=CC=CN2C1 Amb17835334 [0,0,0,1,0,1|1,0,1]=4 2479 B12R2.3190 O=C(Cl)C1=C2C=CC=CC2=C1 Amb25779648 [0,0,0,1,0,1|2,0,0]=4 2480 B12R2.3190 O=C(O)C1=Cc2ccccc21 Amb17593654 [0,0,0,1,0,1|2,0,0]=4 2481 B12R2.6 Brc1cc(-c2ccco2)co1 Amb18172807 [0,0,0,1,0,1|1,0,1]=4 2482 B12R2.6 Brc1cc(-c2ccco2)cs1 Amb18159431 [0,0,0,1,0,1|1,0,1]=4 2483 B12R2.6 Brc1ccc(-c2ccco2)s1 Amb18675170 [0,0,0,1,0,1|1,1,0]=4 2484 B12R2.6 Brc1cnc(-c2ccco2)o1 Amb27398204 [0,0,0,1,0,1|1,0,1]=4 2485 B12R2.6 Brc1cnc(-c2ccco2)s1 Amb10600274 [0,0,0,1,0,1|1,1,0]=4 2486 B12R2.6 Brc1csc(-c2ccco2)c1 Amb18143123 [0,0,0,1,0,1|1,0,1]=4 2487 B12R2.6 Brc1csc(-c2ccco2)n1 Amb10599946 [0,0,0,1,0,1|2,0,0]=4 2488 B12R2.6 Brc1nc(-c2ccco2)cs1 Amb13884333 [0,0,0,1,0,1|2,0,0]=4 2489 B12R2.6 Brc1ncc(-c2ccco2)s1 Amb13884329 [0,0,0,1,0,1|1,1,0]=4 2490 B12R2.6 Cc1cc(-c2ccco2)on1 Amb24562837 [0,0,0,1,0,1|2,0,0]=4 2491 B12R2.6 Cc1cc(-c2ccno2)cs1 Amb28198909 [0,0,0,1,0,1|2,0,0]=4 2492 B12R2.6 Cc1cc(-c2cnco2)co1 Amb35652616 [0,0,0,1,0,1|2,0,0]=4 2493 B12R2.6 Cc1cc(-c2cnco2)cs1 Amb35652476 [0,0,0,1,0,1|2,0,0]=4 2494 B12R2.6 Cc1ccc(-c2cccs2)s1 Amb20670111 [0,0,0,1,0,1|0,2,0]=4 2495 B12R2.6 Cc1ccc(-c2ccno2)s1 Amb25320832 [0,0,0,1,0,1|1,1,0]=4 2496 B12R2.6 Cc1ccc(-c2cnco2)o1 Amb35652260 [0,0,0,1,0,1|1,0,1]=4 2497 B12R2.6 Cc1ccc(-c2cnco2)s1 Amb30019086 [0,0,0,1,0,1|1,1,0]=4 2498 B12R2.6 Cc1csc(-c2ccco2)n1 Amb17232537 [0,0,0,1,0,1|1,0,0]=3 2499 B12R2.6 Cc1csc(-c2cccs2)n1 Amb9808864 [0,0,0,1,0,1|1,1,0]=4 2500 B12R2.6 Cc1csc(-c2ccno2)c1 Amb26039129 [0,0,0,1,0,1|2,0,0]=4 2501 B12R2.6 Cc1csc(-c2cnco2)c1 Amb35647960 [0,0,0,1,0,1|2,0,0]=4 2502 B12R2.6 Cc1nc(-c2ccco2)cs1 Amb22052811 [0,0,0,1,0,1|1,0,0]=3 2503 B12R2.6 Cc1nc(-c2cccs2)co1 Amb17400190 [0,0,0,1,0,1|1,1,0]=4 2504 B12R2.6 Cc1nc(-c2cccs2)cs1 Amb1103461 [0,0,0,1,0,1|1,1,0]=4 2505 B12R2.6 Cc1nc(-c2cnco2)cs1 Amb35652454 [0,0,0,1,0,1|2,0,0]=4 2506 B12R2.6 Cc1ncc(-c2cnco2)s1 Amb35652470 [0,0,0,1,0,1|1,1,0]=4 2507 B12R2.6 Cc1noc(-c2ccco2)n1 Amb21936791 [0,0,0,1,0,1|2,0,0]=4 2508 B12R2.6 Clc1ccc(-c2ccco2)s1 Amb27172500 [0,0,0,1,0,1|1,1,0]=4 2509 B12R2.6 Cn1ccc(-c2ccco2)n1 Amb28369568 [0,0,0,1,0,1|2,0,0]=4 2510 B12R2.6 Nc1cc(-c2ccco2)cs1 Amb19866681 [0,0,0,1,0,1|1,0,1]=4 2511 B12R2.6 Nc1ccc(-c2ccco2)s1 Amb18141183 [0,0,0,1,0,1|1,1,0]=4 2512 B12R2.6 Nc1cnc(-c2ccco2)o1 Amb18065312 [0,0,0,1,0,1|1,0,1]=4 2513 B12R2.6 Nc1cnc(-c2ccco2)s1 Amb10600275 [0,0,0,1,0,1|1,1,0]=4 2514 B12R2.6 Nc1csc(-c2ccco2)n1 Amb10599947 [0,0,0,1,0,1|2,0,0]=4 2515 B12R2.6 Nc1nc(-c2ccco2)co1 Amb18279623 [0,0,0,1,0,1|2,0,0]=4 2516 B12R2.6 Nc1nc(-c2ccco2)cs1 Amb17659100 [0,0,0,1,0,1|2,0,0]=4 2517 B12R2.6 Nc1ncc(-c2ccco2)o1 Amb23440829 [0,0,0,1,0,1|1,0,1]=4 2518 B12R2.6 Nc1ncc(-c2ccco2)s1 Amb13884189 [0,0,0,1,0,1|1,1,0]=4 2519 B12R2.6 O=C1C=C(c2ccco2)CC1 Amb17138420 [0,0,0,1,0,1|0,0,2]=4 2520 B12R2.6 O=C1C=C(c2ccco2)CO1 Amb27879956 [0,0,0,1,0,1|0,0,2]=4 2521 B12R2.6 O=C1C=CC(c2cccs2)O1 Amb26990906 [0,0,0,1,0,1|1,1,0]=4 2522 B12R2.6 O=C1CC(c2ccco2)=NN1 Amb24053123 [0,0,0,1,0,1|1,0,0]=3 2523 B12R2.6 O=C1CC(c2ccco2)CN1 Amb17399916 [0,0,0,1,0,1|0,0,2]=4 2524 B12R2.6 O=C1CC(c2ccco2)NN1 Amb35701076 [0,0,0,1,0,1|1,0,1]=4 2525 B12R2.6 O=C1CC(c2cccs2)=NN1 Amb2692464 [0,0,0,1,0,1|1,1,0]=4 2526 B12R2.6 O=C1CC=C(c2cccs2)S1 Amb27667276 [0,0,0,1,0,1|1,1,0]=4 2527 B12R2.6 O=C1CCC(c2ccco2)C1 Amb17138428 [0,0,0,1,0,1|0,0,2]=4 2528 B12R2.6 O=C1CN=C(c2ccco2)O1 Amb26643957 [0,0,0,1,0,1|1,0,1]=4 2529 B12R2.6 O=C1COC(c2ccco2)C1 Amb27954043 [0,0,0,1,0,1|0,0,2]=4 2530 B12R2.6 O=C1NC(c2cccs2)=CO1 Amb27667051 [0,0,0,1,0,1|1,1,0]=4 2531 B12R2.6 O=C1NC(c2cccs2)=CS1 Amb19068218 [0,0,0,1,0,1|1,1,0]=4 2532 B12R2.6 O=C1NC=C(c2cccs2)N1 Amb33811922 [0,0,0,1,0,1|1,1,0]=4 2533 B12R2.6 O=C1NN=C(c2ccco2)O1 Amb19422772 [0,0,0,1,0,1|2,0,0]=4 2534 B12R2.6 O[C@@H]1C=C[C@@H](c2ccco2)C1 Amb28053365 [0,0,0,1,0,1|0,0,2]=4 2535 B12R2.6 O[C@H]1C=C[C@@H](c2ccco2)C1 Amb28144038 [0,0,0,1,0,1|0,0,2]=4 2536 B12R2.6 Oc1cnc(-c2ccco2)s1 Amb10600276 [0,0,0,1,0,1|1,0,1]=4 2537 B12R2.6 Oc1csc(-c2ccco2)n1 Amb10599948 [0,0,0,1,0,1|1,0,1]=4 2538 B12R2.6 Oc1nc(-c2ccco2)cs1 Amb13884332 [0,0,0,1,0,1|1,0,1]=4 2539 B12R2.6 Oc1ncc(-c2ccco2)s1 Amb13884328 [0,0,0,1,0,1|1,0,1]=4 2540 B12R2.6 S=C1NC=C(c2ccco2)O1 Amb28070948 [0,0,0,1,0,1|1,0,1]=4 2541 B12R2.114 NC1=NC=Cc2sccc2C1 Amb27165179 [0,0,0,1,0,1|1,1,0]=4 2542 B12R2.114 O=C1CCCc2occc2C1 Amb33035815 [0,0,0,1,0,1|0,0,2]=4 2543 B12R2.114 O=C1Cc2ccoc2CCN1 Amb27816404 [0,0,0,1,0,1|0,0,2]=4 2544 B12R2.1354 CC(=O)C1CC1c2ccco2 Amb9212607 [0,0,0,1,0,1|0,0,2]=4 2545 B12R2.1354 CC(=O)[C@@H]1C[C@@H]1c2ccco2 Amb27854640 [0,0,0,1,0,1|0,0,2]=4 2546 B12R2.1354 CC(=O)[C@@H]1C[C@H]1c2ccco2 Amb24741210 [0,0,0,1,0,1|0,0,2]=4 2547 B12R2.1362 CC(=O)c1ccc2n1CC=C2 Amb25759488 [0,0,0,1,0,1|1,0,1]=4 2548 B12R2.1362 CC(=O)c1cnc2sccn12 Amb18199620 [0,0,0,1,0,1|1,1,0]=4 2549 B12R2.1362 CC(=O)c1csc2cncn12 Amb28062035 [0,0,0,1,0,1|2,0,0]=4 2550 B12R2.1362 CC(=O)c1ncc2sccn12 Amb18199619 [0,0,0,1,0,1|1,1,0]=4 2551 B12R2.1362 CC(=O)c1scc2c1OCO2 Amb18198940 [0,0,0,1,0,1|1,0,1]=4 2552 B12R2.1362 O=C(O)c1onc2occc12 Amb18201209 [0,0,0,1,0,1|2,0,0]=4 2553 B12R2.1362 O=C(O)c1scc2sccc12 Amb27467652 [0,0,0,1,0,1|1,1,0]=4 2554 B12R2.44 BrCc1ccc2occc2c1 Amb23401833 [0,1,0,1,0,0|1,0,0]=3 2555 B12R2.44 BrCc1ccc2occc2n1 Amb26601932 [0,1,0,1,0,0|1,0,0]=3 2556 B12R2.44 BrCc1cnc2occc2c1 Amb25149005 [0,1,0,1,0,0|2,0,0]=4 2557 B12R2.44 C#Cc1ccc2occc2c1 Amb24487761 [0,1,0,1,0,0|1,0,1]=4 2558 B12R2.44 C=Cc1ccc2occc2c1 Amb27951918 [0,1,0,1,0,0|1,0,1]=4 2559 B12R2.44 CCc1ccc2ocnc2c1 Amb17304940 [0,1,0,1,0,0|2,0,0]=4 2560 B12R2.44 CCc1ccc2sccc2c1 Amb24727277 [0,1,0,1,0,0|1,1,0]=4 2561 B12R2.44 CNc1ccc2sccc2n1 Amb28456884 [0,1,0,1,0,0|1,1,0]=4 2562 B12R2.44 COc1ccc2c(c1)C=CC2 Amb2383764 [0,1,0,1,0,0|2,0,0]=4 2563 B12R2.44 COc1ccc2occc2c1 Amb2689090 [0,1,0,1,0,0|1,0,0]=3 2564 B12R2.44 COc1ccc2ocnc2c1 Amb17569997 [0,1,0,1,0,0|2,0,0]=4 2565 B12R2.44 COc1ccc2oncc2c1 Amb22002138 [0,1,0,1,0,0|2,0,0]=4 2566 B12R2.44 COc1ccc2sccc2c1 Amb8439416 [0,1,0,1,0,0|1,1,0]=4 2567 B12R2.44 CSc1ccc2occc2c1 Amb24070819 [0,1,0,1,0,0|1,0,0]=3 2568 B12R2.44 ClCc1ccc2occc2c1 Amb23401834 [0,1,0,1,0,0|1,0,0]=3 2569 B12R2.44 ClCc1ccc2occc2n1 Amb27599952 [0,1,0,1,0,0|1,0,0]=3 2570 B12R2.44 ClCc1ccc2sccc2c1 Amb23401640 [0,1,0,1,0,0|1,1,0]=4 2571 B12R2.44 ClCc1cnc2occc2c1 Amb28120006 [0,1,0,1,0,0|2,0,0]=4 2572 B12R2.44 N#Cc1ccc2occc2c1 Amb2723114 [0,1,0,1,0,0|1,0,1]=4 2573 B12R2.44 NCc1cc2ccoc2cn1 Amb18831392 [0,1,0,1,0,0|2,0,0]=4 2574 B12R2.44 NCc1ccc2occc2c1 Amb22755776 [0,1,0,1,0,0|1,0,0]=3 2575 B12R2.44 NCc1ccc2occc2c1 Amb2723113 [0,1,0,1,0,0|1,0,0]=3 2576 B12R2.44 NCc1ccc2ocnc2c1 Amb23399634 [0,1,0,1,0,0|2,0,0]=4 2577 B12R2.44 NCc1ccc2sccc2c1 Amb1995214 [0,1,0,1,0,0|1,1,0]=4 2578 B12R2.44 NCc1ccc2sccc2c1 Amb8503338 [0,1,0,1,0,0|1,1,0]=4 2579 B12R2.44 NCc1ccc2sccc2n1 Amb28041398 [0,1,0,1,0,0|1,1,0]=4 2580 B12R2.44 NCc1ncc2occc2n1 Amb18202179 [0,1,0,1,0,0|2,0,0]=4 2581 B12R2.44 NNc1ccc2occc2c1 Amb18124893 [0,1,0,1,0,0|1,0,1]=4 2582 B12R2.44 O=Cc1cc2ccoc2cn1 Amb18831431 [0,1,0,1,0,0|1,0,1]=4 2583 B12R2.44 O=Cc1ccc2c(c1)C=CC2 Amb24089076 [0,1,0,1,0,0|1,0,1]=4 2584 B12R2.44 O=Cc1ccc2occc2c1 Amb2723109 [0,1,0,1,0,0|0,0,1]=3 2585 B12R2.44 O=Cc1ccc2occc2n1 Amb18202342 [0,1,0,1,0,0|1,0,0]=3 2586 B12R2.44 O=Cc1ccc2ocnc2c1 Amb18831438 [0,1,0,1,0,0|1,0,1]=4 2587 B12R2.44 O=Cc1ccc2oncc2c1 Amb33547526 [0,1,0,1,0,0|1,0,1]=4 2588 B12R2.44 O=Cc1ccc2oncc2n1 Amb18202275 [0,1,0,1,0,0|2,0,0]=4 2589 B12R2.44 O=Cc1ccc2sccc2c1 Amb1995220 [0,1,0,1,0,0|0,1,1]=4 2590 B12R2.44 O=Cc1ccc2sccc2n1 Amb18829270 [0,1,0,1,0,0|1,1,0]=4 2591 B12R2.44 O=Cc1cnc2occc2c1 Amb18202339 [0,1,0,1,0,0|1,0,1]=4 2592 B12R2.44 OCc1cc2ccoc2cn1 Amb19958437 [0,1,0,1,0,0|2,0,0]=4 2593 B12R2.44 OCc1ccc2occc2c1 Amb2723112 [0,1,0,1,0,0|1,0,0]=3 2594 B12R2.44 OCc1ccc2oncc2c1 Amb24593237 [0,1,0,1,0,0|2,0,0]=4 2595 B12R2.44 OCc1ccc2sccc2c1 Amb1995227 [0,1,0,1,0,0|1,1,0]=4 2596 B12R2.44 OCc1ccc2sccc2n1 Amb27752098 [0,1,0,1,0,0|1,1,0]=4 2597 B12R2.44 SCc1ccc2occc2c1 Amb33343237 [0,1,0,1,0,0|1,0,0]=3 2598 B12R2.44 [C-]#[N+]c1ccc2occc2c1 Amb33344391 [0,1,0,1,0,0|1,0,1]=4 2599 B12R2.82 CN1N=Cc2occc2C1=O Amb27635937 [0,1,0,1,0,0|2,0,0]=4 2600 B12R2.82 Cc1c(Br)ccc2ocnc12 Amb22737611 [0,1,0,1,0,0|2,0,0]=4 2601 B12R2.82 Cc1c(Br)ccc2oncc12 Amb27617727 [0,1,0,1,0,0|2,0,0]=4 2602 B12R2.82 Cc1c(N)ccc2occc12 Amb18138313 [0,1,0,1,0,0|1,0,0]=3 2603 B12R2.82 Cc1c(N)ccc2oncc12 Amb27445960 [0,1,0,1,0,0|2,0,0]=4 2604 B12R2.82 Cc1c(N)ccc2sccc12 Amb18670840 [0,1,0,1,0,0|1,1,0]=4 2605 B12R2.82 Cc1c2ccoc2cc[n+]1[O-] Amb24502036 [0,1,0,1,0,0|1,0,1]=4 2606 B12R2.82 Cc1ccc2occc2c1Br Amb27866806 [0,1,0,1,0,0|1,0,0]=3 2607 B12R2.82 Cc1ccc2occc2c1N Amb18135829 [0,1,0,1,0,0|1,0,0]=3 2608 B12R2.82 Cc1ccc2sccc2c1Br Amb27596456 [0,1,0,1,0,0|1,1,0]=4 2609 B12R2.82 Cc1ccc2sccc2c1Cl Amb27447857 [0,1,0,1,0,0|1,1,0]=4 2610 B12R2.82 Cc1ccc2sccc2c1N Amb18136747 [0,1,0,1,0,0|1,1,0]=4 2611 B12R2.82 Cc1ccc2sccc2c1O Amb18063861 [0,1,0,1,0,0|0,1,1]=4 2612 B12R2.82 Clc1c(Br)ccc2occc12 Amb25132742 [0,1,0,1,0,0|1,0,1]=4 2613 B12R2.82 Clc1ccc2occc2c1Br Amb28050803 [0,1,0,1,0,0|1,0,1]=4 2614 B12R2.82 Fc1ccc2occc2c1Br Amb25704177 [0,1,0,1,0,0|1,0,1]=4 2615 B12R2.82 Fc1ccc2occc2c1Cl Amb27219198 [0,1,0,1,0,0|1,0,1]=4 2616 B12R2.82 Fc1ccc2occc2c1F Amb28139491 [0,1,0,1,0,0|1,0,1]=4 2617 B12R2.82 Nc1c(Br)ccc2occc12 Amb18135933 [0,1,0,1,0,0|1,0,1]=4 2618 B12R2.82 Nc1c(F)ccc2occc12 Amb18135925 [0,1,0,1,0,0|1,0,1]=4 2619 B12R2.82 Nc1c(O)ccc2occc12 Amb18202188 [0,1,0,1,0,0|0,0,2]=4 2620 B12R2.82 Nc1ccc2occc2c1Br Amb18137704 [0,1,0,1,0,0|1,0,1]=4 2621 B12R2.82 Nc1ccc2occc2c1F Amb18138051 [0,1,0,1,0,0|1,0,1]=4 2622 B12R2.82 O[C@H]1C=Cc2occc2[C@H]1O Amb27197987 [0,1,0,1,0,0|0,0,2]=4 2623 B12R2.83 Cc1ccc-2cccc2cc1 Amb19665337 [0,1,0,1,0,0|2,0,0]=4 2624 B12R2.83 O=c1ccc2ccoc2cc1 Amb2611624 [0,1,0,1,0,0|0,0,1]=3 2625 B12R2.134 CC1C(=O)NC1c2ccco2 Amb27248408 [0,1,0,1,0,0|1,0,1]=4 2626 B12R2.134 N[C@@H]1C(=O)N[C@H]1c2ccco2 Amb27803898 [0,1,0,1,0,0|1,0,1]=4 2627 B12R2.134 O=C1C=C(c2cccs2)C1=O Amb27432582 [0,1,0,1,0,0|0,1,1]=4 2628 B12R2.134 O=C1N[C@@H](c2ccco2)[C@H]1O Amb27969259 [0,1,0,1,0,0|1,0,1]=4 2629 B12R2.2399 NC1(\C=C\c2ccco2)CC1 Amb22225077 [0,1,0,1,0,0|1,0,1]=4 2630 B12R2.100 Cc1cc2ccoc2cc1Br Amb28072953 [0,1,0,1,0,0|1,0,0]=3 2631 B12R2.100 Cc1cc2ccsc2cc1Cl Amb28050804 [0,1,0,1,0,0|1,1,0]=4 2632 B12R2.100 Cc1cc2cnoc2cc1C Amb27406082 [0,1,0,1,0,0|2,0,0]=4 2633 B12R2.100 Cc1cc2ncoc2cc1Br Amb17571384 [0,1,0,1,0,0|2,0,0]=4 2634 B12R2.100 Cc1cc2ncoc2cc1C Amb17569983 [0,1,0,1,0,0|2,0,0]=4 2635 B12R2.100 Cc1cc2ncoc2cc1Cl Amb17570125 [0,1,0,1,0,0|2,0,0]=4 2636 B12R2.100 Cc1cc2occc2cc1N Amb18138345 [0,1,0,1,0,0|1,0,1]=4 2637 B12R2.100 Clc1cc2ccoc2cc1Br Amb28285040 [0,1,0,1,0,0|1,0,1]=4 2638 B12R2.100 Fc1cc2ccoc2cc1Br Amb27464500 [0,1,0,1,0,0|1,0,1]=4 2639 B12R2.100 Fc1cc2occc2cc1Br Amb24642772 [0,1,0,1,0,0|1,0,1]=4 2640 B12R2.100 Nc1cc2ccoc2cc1F Amb18138055 [0,1,0,1,0,0|1,0,1]=4 2641 B12R2.100 O=C1Nc2cnoc2C=C1O Amb27427257 [0,1,0,1,0,0|2,0,0]=4 2642 B12R2.100 Oc1cc2ccoc2cc1O Amb26981330 [0,1,0,1,0,0|0,0,2]=4 2643 B12R2.100 Oc1cc2occc2cc1Br Amb23568419 [0,1,0,1,0,0|1,0,1]=4 2644 B12R2.100 Oc1cc2occc2cc1Cl Amb23568417 [0,1,0,1,0,0|1,0,1]=4 2645 B12R2.252 CC(=O)C1=Cc2cccn2C1 Amb27243839 [0,1,0,1,0,0|1,0,0]=3 2646 B12R2.252 CC(=O)c1cc2c(s1)CCO2 Amb18199285 [0,1,0,1,0,0|0,0,2]=4 2647 B12R2.252 CC(=O)c1cc2c(s1)OCO2 Amb18198938 [0,1,0,1,0,0|1,0,1]=4 2648 B12R2.252 CC(=O)c1cc2ccsc2s1 Amb18823587 [0,1,0,1,0,0|1,1,0]=4 2649 B12R2.252 CC(=O)c1cc2cscc2s1 Amb30026590 [0,1,0,1,0,0|2,0,0]=4 2650 B12R2.252 CC(=O)c1cc2sccc2s1 Amb18823588 [0,1,0,1,0,0|0,1,0]=3 2651 B12R2.252 NC(=O)c1cc2sccc2s1 Amb2766639 [0,1,0,1,0,0|1,1,0]=4 2652 B12R2.252 O=C(Cl)c1cc2sccc2s1 Amb27823359 [0,1,0,1,0,0|1,1,0]=4 2653 B12R2.252 O=C(Cl)c1cn2occc2n1 Amb10071446 [0,1,0,1,0,0|2,0,0]=4 2654 B12R2.252 O=C(O)c1cc2ccoc2s1 Amb8010415 [0,1,0,1,0,0|2,0,0]=4 2655 B12R2.252 O=C(O)c1cc2occc2s1 Amb19374510 [0,1,0,1,0,0|1,0,0]=3 2656 B12R2.252 O=C(O)c1cc2occn2n1 Amb27642699 [0,1,0,1,0,0|2,0,0]=4 2657 B12R2.252 O=C(O)c1cc2sccc2[se]1 Amb2611537 [0,1,0,1,0,0|1,1,0]=4 2658 B12R2.252 O=C(O)c1cc2sccc2o1 Amb18143673 [0,1,0,1,0,0|1,1,0]=4 2659 B12R2.252 O=C(O)c1cc2sccc2s1 Amb2234728 [0,1,0,1,0,0|1,1,0]=4 2660 B12R2.252 O=C(O)c1cn2occc2n1 Amb10071427 [0,1,0,1,0,0|2,0,0]=4 2661 B12R2.1423 C\C(=C/c1ccco1)C2CO2 Amb33474518 [0,1,0,1,0,0|0,0,2]=4 2662 B12R2.1423 C\C(=C/c1ccco1)[C@@H]2CO2 Amb33197964 [0,1,0,1,0,0|0,0,2]=4 2663 B12R2.1423 C\C(=C/c1ccco1)[C@H]2CO2 Amb33197965 [0,1,0,1,0,0|0,0,2]=4 2664 B12R2.76 O=C1CC(c2ccc(Br)o2)C1 Amb27162680 [0,1,0,1,0,0|0,0,2]=4 2665 B12R2.132 Brc1ccc2occ(Br)c2c1 Amb2723640 [0,1,0,1,0,0|1,0,1]=4 2666 B12R2.132 CC1=CCc2ccc(C)cc21 Amb27949310 [0,1,0,1,0,0|2,0,0]=4 2667 B12R2.132 Cc1ccc2c(c1)C(=O)CO2 Amb6683471 [0,1,0,1,0,0|1,0,1]=4 2668 B12R2.132 Cc1ccc2occ(Br)c2c1 Amb26345721 [0,1,0,1,0,0|1,0,0]=3 2669 B12R2.132 Cc1ccc2occ(C)c2c1 Amb23440813 [0,1,0,1,0,0|1,0,0]=3 2670 B12R2.132 Cc1ccc2occ(Cl)c2n1 Amb26940800 [0,1,0,1,0,0|1,0,0]=3 2671 B12R2.132 Cc1ccc2occ(O)c2c1 Amb33299851 [0,1,0,1,0,0|1,0,0]=3 2672 B12R2.132 Cc1ccc2onc(C)c2c1 Amb9792959 [0,1,0,1,0,0|2,0,0]=4 2673 B12R2.132 Cc1ccc2onc(Cl)c2c1 Amb21857028 [0,1,0,1,0,0|2,0,0]=4 2674 B12R2.132 Cc1ccc2onc(N)c2c1 Amb21857108 [0,1,0,1,0,0|2,0,0]=4 2675 B12R2.132 Cc1ccc2scc(F)c2n1 Amb27224340 [0,1,0,1,0,0|1,1,0]=4 2676 B12R2.132 Cc1ccc2scc(N)c2c1 Amb23402527 [0,1,0,1,0,0|1,1,0]=4 2677 B12R2.132 Cc1coc2ccc(Br)cc12 Amb5722044 [0,1,0,1,0,0|1,0,1]=4 2678 B12R2.132 Cc1coc2ccc(Cl)cc12 Amb20622396 [0,1,0,1,0,0|1,0,1]=4 2679 B12R2.132 Cc1coc2ccc(F)cc12 Amb20622399 [0,1,0,1,0,0|1,0,1]=4 2680 B12R2.132 Cc1coc2ccc(N)cc12 Amb28383907 [0,1,0,1,0,0|1,0,1]=4 2681 B12R2.132 Cc1coc2ccc(O)cc12 Amb18124872 [0,1,0,1,0,0|0,0,2]=4 2682 B12R2.132 Cc1ncc2occ(Br)c2n1 Amb27218208 [0,1,0,1,0,0|2,0,0]=4 2683 B12R2.132 Clc1ccc2occ(Br)c2c1 Amb25742477 [0,1,0,1,0,0|1,0,1]=4 2684 B12R2.132 Clc1ccc2occ(Br)c2n1 Amb22755862 [0,1,0,1,0,0|2,0,0]=4 2685 B12R2.132 Clc1coc2ccc(Br)cc12 Amb18159965 [0,1,0,1,0,0|1,0,1]=4 2686 B12R2.132 Fc1ccc2occ(Br)c2c1 Amb28044734 [0,1,0,1,0,0|1,0,1]=4 2687 B12R2.132 Nc1coc2ccc(O)cc12 Amb18831353 [0,1,0,1,0,0|0,0,2]=4 2688 B12R2.132 Oc1ccc2occ(Cl)c2c1 Amb27445869 [0,1,0,1,0,0|0,0,2]=4 2689 B12R2.132 Oc1ccc2occ(O)c2c1 Amb27974579 [0,1,0,1,0,0|0,0,2]=4 2690 B12R2.606 Brc1ccc2oc(Br)cc2c1 Amb27976868 [0,1,0,1,0,0|1,0,1]=4 2691 B12R2.606 CC1=CC2=CC(=O)N=C2C=C1 Amb26601003 [0,1,0,1,0,0|2,0,0]=4 2692 B12R2.606 Cc1cc2cc(Br)ccc2o1 Amb25147883 [0,1,0,1,0,0|1,0,1]=4 2693 B12R2.606 Cc1cc2cc(Cl)ccc2o1 Amb26318553 [0,1,0,1,0,0|1,0,1]=4 2694 B12R2.606 Cc1cc2cc(I)ccc2o1 Amb2447107 [0,1,0,1,0,0|1,0,1]=4 2695 B12R2.606 Cc1cc2cc(N)ccc2o1 Amb1084261 [0,1,0,1,0,0|1,0,1]=4 2696 B12R2.606 Cc1cc2cc(N)ccc2o1 Amb8503366 [0,1,0,1,0,0|1,0,1]=4 2697 B12R2.606 Cc1ccc2c(c1)NC(=O)O2 Amb18013200 [0,1,0,1,0,0|2,0,0]=4 2698 B12R2.606 Cc1ccc2c(c1)NC(=S)O2 Amb18010779 [0,1,0,1,0,0|2,0,0]=4 2699 B12R2.606 Cc1ccc2c(c1)OC(=O)O2 Amb28399042 [0,1,0,1,0,0|2,0,0]=4 2700 B12R2.606 Cc1ccc2c(c1)SC(=O)O2 Amb25252500 [0,1,0,1,0,0|2,0,0]=4 2701 B12R2.606 Cc1ccc2c(n1)NC(=O)O2 Amb22497822 [0,1,0,1,0,0|2,0,0]=4 2702 B12R2.606 Cc1ccc2oc(Br)nc2c1 Amb27411408 [0,1,0,1,0,0|2,0,0]=4 2703 B12R2.606 Cc1ccc2oc(C)nc2c1 Amb8393847 [0,1,0,1,0,0|2,0,0]=4 2704 B12R2.606 Cc1ccc2oc(Cl)nc2c1 Amb10607789 [0,1,0,1,0,0|2,0,0]=4 2705 B12R2.606 Cc1ccc2oc(Cl)nc2n1 Amb27471740 [0,1,0,1,0,0|2,0,0]=4 2706 B12R2.606 Cc1ccc2oc(F)nc2c1 Amb27795048 [0,1,0,1,0,0|2,0,0]=4 2707 B12R2.606 Cc1ccc2oc(I)cc2c1 Amb32685605 [0,1,0,1,0,0|1,0,0]=3 2708 B12R2.606 Cc1ccc2oc(N)nc2c1 Amb786050 [0,1,0,1,0,0|2,0,0]=4 2709 B12R2.606 Cc1ccc2oc(S)nc2c1 Amb10244497 [0,1,0,1,0,0|2,0,0]=4 2710 B12R2.606 Cc1ccc2oc(S)nc2n1 Amb16187014 [0,1,0,1,0,0|2,0,0]=4 2711 B12R2.606 Cc1ccc2oc([SH3])nc2c1 Amb18046736 [0,1,0,1,0,0|2,0,0]=4 2712 B12R2.606 Cc1ccc2sc(Br)cc2c1 Amb2724931 [0,1,0,1,0,0|1,1,0]=4 2713 B12R2.606 Cc1ccc2sc(Cl)cc2n1 Amb26605886 [0,1,0,1,0,0|1,1,0]=4 2714 B12R2.606 Cc1ncc2oc(Br)cc2n1 Amb18172161 [0,1,0,1,0,0|2,0,0]=4 2715 B12R2.606 Cc1ncc2oc(C)cc2n1 Amb28044018 [0,1,0,1,0,0|2,0,0]=4 2716 B12R2.606 Clc1ccc2oc(I)cc2c1 Amb32685607 [0,1,0,1,0,0|1,0,1]=4 2717 B12R2.606 Fc1ccc2oc(Br)cc2c1 Amb27239214 [0,1,0,1,0,0|1,0,1]=4 2718 B12R2.606 Fc1ccc2oc(I)cc2c1 Amb32685608 [0,1,0,1,0,0|1,0,1]=4 2719 B12R2.606 Nc1ccc2oc(Cl)cc2c1 Amb27851437 [0,1,0,1,0,0|1,0,1]=4 2720 B12R2.606 O=C1C=CC2=CC(=O)OC2C1 Amb26002475 [0,1,0,1,0,0|2,0,0]=4 2721 B12R2.606 O=C1C=CC2=CC(=O)O[C@H]2C1 Amb27802537 [0,1,0,1,0,0|2,0,0]=4 2722 B12R2.606 Oc1cc2cc(F)ccc2o1 Amb27413714 [0,1,0,1,0,0|1,0,1]=4 2723 B12R2.606 Oc1ccc2oc(Cl)cc2c1 Amb27634281 [0,1,0,1,0,0|0,0,2]=4 2724 B12R2.606 Sc1cc2cc(Cl)ccc2o1 Amb6770683 [0,1,0,1,0,0|1,0,1]=4 2725 B12R2.246 Brc1cc(Br)c2occc2c1 Amb22751744 [0,1,0,1,0,0|1,0,1]=4 2726 B12R2.246 CC1=CC(=O)N=C2C=CN=C12 Amb28127986 [0,1,0,1,0,0|2,0,0]=4 2727 B12R2.246 CC1=CC(=O)Nc2ccsc21 Amb29857469 [0,1,0,1,0,0|1,1,0]=4 2728 B12R2.246 CC1=CC(=O)c2sccc2N1 Amb26962281 [0,1,0,1,0,0|1,1,0]=4 2729 B12R2.246 Cc1cc(Br)c2occc2c1 Amb10982602 [0,1,0,1,0,0|1,0,0]=3 2730 B12R2.246 Cc1cc(Br)c2ocnc2c1 Amb17305000 [0,1,0,1,0,0|2,0,0]=4 2731 B12R2.246 Cc1cc(Br)cc2ccoc12 Amb22751742 [0,1,0,1,0,0|1,0,1]=4 2732 B12R2.246 Cc1cc(C)c2ocnc2c1 Amb17569984 [0,1,0,1,0,0|2,0,0]=4 2733 B12R2.246 Cc1cc(C)c2sccc2c1 Amb28319643 [0,1,0,1,0,0|1,1,0]=4 2734 B12R2.246 Cc1cc(C)c2sccc2n1 Amb27441962 [0,1,0,1,0,0|1,1,0]=4 2735 B12R2.246 Cc1cc(Cl)c2occc2c1 Amb24526443 [0,1,0,1,0,0|1,0,0]=3 2736 B12R2.246 Cc1cc(Cl)c2ocnc2c1 Amb27442187 [0,1,0,1,0,0|2,0,0]=4 2737 B12R2.246 Cc1cc(Cl)c2oncc2c1 Amb28134123 [0,1,0,1,0,0|2,0,0]=4 2738 B12R2.246 Cc1cc(Cl)c2sccc2c1 Amb28197982 [0,1,0,1,0,0|1,1,0]=4 2739 B12R2.246 Cc1cc(Cl)c2sccc2n1 Amb20670821 [0,1,0,1,0,0|1,1,0]=4 2740 B12R2.246 Cc1cc(Cl)cc2ccoc12 Amb27169178 [0,1,0,1,0,0|1,0,1]=4 2741 B12R2.246 Cc1cc(F)c2ocnc2c1 Amb22739288 [0,1,0,1,0,0|2,0,0]=4 2742 B12R2.246 Cc1cc(F)cc2ccoc12 Amb25049367 [0,1,0,1,0,0|1,0,1]=4 2743 B12R2.246 Cc1cc(I)cc2ccoc12 Amb28293045 [0,1,0,1,0,0|1,0,1]=4 2744 B12R2.246 Cc1cc(N)c2occc2c1 Amb17569991 [0,1,0,1,0,0|1,0,0]=3 2745 B12R2.246 Cc1cc(N)c2ocnc2c1 Amb17304941 [0,1,0,1,0,0|2,0,0]=4 2746 B12R2.246 Cc1cc(N)c2oncc2c1 Amb27173822 [0,1,0,1,0,0|2,0,0]=4 2747 B12R2.246 Cc1cc(O)c2occc2c1 Amb24576007 [0,1,0,1,0,0|1,0,0]=3 2748 B12R2.246 Cc1nc(Cl)c2occc2n1 Amb22491568 [0,1,0,1,0,0|2,0,0]=4 2749 B12R2.246 Clc1cc(Br)c2occc2c1 Amb22230133 [0,1,0,1,0,0|1,0,1]=4 2750 B12R2.246 Clc1cc(Br)cc2ccoc12 Amb24728186 [0,1,0,1,0,0|1,0,1]=4 2751 B12R2.246 Clc1cc(Cl)c2occc2c1 Amb26966965 [0,1,0,1,0,0|1,0,1]=4 2752 B12R2.246 Clc1cc(Cl)c2occc2n1 Amb27237727 [0,1,0,1,0,0|2,0,0]=4 2753 B12R2.246 Clc1cc(I)c2occc2c1 Amb27436173 [0,1,0,1,0,0|1,0,1]=4 2754 B12R2.246 Fc1cc(Br)c2occc2c1 Amb10982601 [0,1,0,1,0,0|1,0,1]=4 2755 B12R2.246 Fc1cc(Br)cc2ccoc12 Amb22751740 [0,1,0,1,0,0|1,0,1]=4 2756 B12R2.246 Fc1cc(Cl)c2occc2c1 Amb24686782 [0,1,0,1,0,0|1,0,1]=4 2757 B12R2.246 Fc1cc(Cl)cc2ccoc12 Amb26606612 [0,1,0,1,0,0|1,0,1]=4 2758 B12R2.246 Fc1cc(F)c2occc2c1 Amb25341117 [0,1,0,1,0,0|1,0,1]=4 2759 B12R2.246 Fc1cc(I)c2occc2c1 Amb28364459 [0,1,0,1,0,0|1,0,1]=4 2760 B12R2.246 Nc1cc(Br)cc2ccoc12 Amb17571387 [0,1,0,1,0,0|1,0,1]=4 2761 B12R2.246 Nc1cc(Cl)cc2ccoc12 Amb17570128 [0,1,0,1,0,0|1,0,1]=4 2762 B12R2.246 Nc1cc(F)cc2ccoc12 Amb17570006 [0,1,0,1,0,0|1,0,1]=4 2763 B12R2.246 Nc1cc(I)c2occc2c1 Amb27172119 [0,1,0,1,0,0|1,0,1]=4 2764 B12R2.246 Nc1cc(O)c2occc2c1 Amb25351915 [0,1,0,1,0,0|1,0,1]=4 2765 B12R2.246 Nc1cc(O)cc2ccoc12 Amb17569998 [0,1,0,1,0,0|0,0,2]=4 2766 B12R2.246 O=C1C=C(Cl)c2sccc2N1 Amb23560707 [0,1,0,1,0,0|1,1,0]=4 2767 B12R2.246 O=C1Cc2ccsc2C(=O)O1 Amb27445096 [0,1,0,1,0,0|1,1,0]=4 2768 B12R2.246 O=C1Cn2cccc2C(=O)N1 Amb28290234 [0,1,0,1,0,0|2,0,0]=4 2769 B12R2.246 O=C1Cn2cccc2C(=O)O1 Amb32671373 [0,1,0,1,0,0|2,0,0]=4 2770 B12R2.246 Oc1cc(Br)c2occc2c1 Amb22751745 [0,1,0,1,0,0|0,0,2]=4 2771 B12R2.246 Oc1cc(Br)cc2ccoc12 Amb26842416 [0,1,0,1,0,0|1,0,1]=4 2772 B12R2.246 Oc1cc(Cl)cc2ccoc12 Amb25249309 [0,1,0,1,0,0|1,0,1]=4 2773 B12R2.246 Oc1cc(F)c2occc2c1 Amb27193889 [0,1,0,1,0,0|0,0,2]=4 2774 B12R2.246 Oc1cc(F)cc2ccoc12 Amb8386545 [0,1,0,1,0,0|1,0,1]=4 2775 B12R2.246 Oc1cc(O)c2occc2c1 Amb27965782 [0,1,0,1,0,0|0,0,2]=4 2776 B12R2.111 O=C1CC(c2occc2Br)N1 Amb27833780 [0,1,0,1,0,0|1,0,1]=4 2777 B12R2.612 Cc1ccc2c(c1)C=CC2N Amb17470376 [0,1,0,1,0,0|2,0,0]=4 2778 B12R2.612 Cc1ccc2c(ccn2C)c1 Amb9768430 [0,1,0,1,0,0|2,0,0]=4 2779 B12R2.612 Cc1ccc2c(ccn2N)c1 Amb18202355 [0,1,0,1,0,0|2,0,0]=4 2780 B12R2.612 Cn1ccc2c1C=CC(=O)N2 Amb27613140 [0,1,0,1,0,0|2,0,0]=4 2781 B8R0.16 C=C\C(=C/C(C)=O)OC Amb26934531 [0,0,1,0,1,0|0,0,1]=3 2782 B8R0.16 CO\C(C=O)=C/C(C)=O Amb27233877 [0,0,1,0,1,0|1,0,1]=4 2783 B8R0.5 C=CC\C(C)=C/C(C)=O Amb27481811 [0,0,1,0,1,0|1,0,1]=4 2784 B8R0.5 C=COC(=O)CC(C)=O Amb28285292 [0,0,1,0,1,0|1,0,1]=4 2785 B8R1.7 C=C(Br)c1ccco1 Amb28075689 [0,0,0,0,2,0|1,0,1]=4 2786 B8R1.7 C=C(C)c1ccco1 Amb24532306 [0,0,0,0,2,0|1,0,0]=3 2787 B8R1.7 C=C(C)c1cccs1 Amb28141914 [0,0,0,0,2,0|1,1,0]=4 2788 B8R1.7 CC(=O)C1=CCCO1 Amb25759909 [0,0,0,0,2,0|0,0,2]=4 2789 B8R1.7 CC(=O)C1=C[CH-]C=C1 Amb2227554 [0,0,0,0,2,0|1,0,1]=4 2790 B8R1.7 CC(=O)[c-]1cccc1 Amb34916050 [0,0,0,0,2,0|1,0,1]=4 2791 B8R1.7 CC(=O)c1cc[se]c1 Amb2611517 [0,0,0,0,2,0|2,0,0]=4 2792 B8R1.7 CC(=O)c1ccc[se]1 Amb17673999 [0,0,0,0,2,0|0,1,0]=3 2793 B8R1.7 CC(=O)c1ccco1 Amb2782007 [0,0,0,0,2,0|0,0,0]=2 2794 B8R1.7 CC(=O)c1cccs1 Amb2684284 [0,0,0,0,2,0|0,1,0]=3 2795 B8R1.7 CC(=O)c1ccno1 Amb20242198 [0,0,0,0,2,0|1,0,0]=3 2796 B8R1.7 CC(=O)c1ccns1 Amb13883508 [0,0,0,0,2,0|1,1,0]=4 2797 B8R1.7 CC(=O)c1ccoc1 Amb2440799 [0,0,0,0,2,0|2,0,0]=4 2798 B8R1.7 CC(=O)c1ccon1 Amb20242197 [0,0,0,0,2,0|2,0,0]=4 2799 B8R1.7 CC(=O)c1ccsc1 Amb535812 [0,0,0,0,2,0|2,0,0]=4 2800 B8R1.7 CC(=O)c1ccsn1 Amb25044341 [0,0,0,0,2,0|2,0,0]=4 2801 B8R1.7 CC(=O)c1cnco1 Amb24737064 [0,0,0,0,2,0|1,0,0]=3 2802 B8R1.7 CC(=O)c1cncs1 Amb33531201 [0,0,0,0,2,0|1,1,0]=4 2803 B8R1.7 CC(=O)c1cocn1 Amb18833111 [0,0,0,0,2,0|2,0,0]=4 2804 B8R1.7 CC(=O)c1cscn1 Amb33543399 [0,0,0,0,2,0|2,0,0]=4 2805 B8R1.7 CC(=O)c1ncco1 Amb19958429 [0,0,0,0,2,0|1,0,0]=3 2806 B8R1.7 CC(=O)c1nccs1 Amb2684283 [0,0,0,0,2,0|1,1,0]=4 2807 B8R1.7 CC(=O)c1ncno1 Amb25119390 [0,0,0,0,2,0|2,0,0]=4 2808 B8R1.7 CC(=O)c1nnco1 Amb28322871 [0,0,0,0,2,0|2,0,0]=4 2809 B8R1.7 CC(=O)n1cccn1 Amb3372586 [0,0,0,0,2,0|2,0,0]=4 2810 B8R1.7 CC(C)=C1C=CC=C1 Amb2720978 [0,0,0,0,2,0|2,0,0]=4 2811 B8R1.7 CC(C)c1ccco1 Amb22168231 [0,0,0,0,2,0|1,0,1]=4 2812 B8R1.7 CC(Cl)c1ccco1 Amb17138373 [0,0,0,0,2,0|1,0,1]=4 2813 B8R1.7 CC(N)=C1C=CC=C1 Amb27245689 [0,0,0,0,2,0|2,0,0]=4 2814 B8R1.7 CC(N)c1ccco1 Amb6893074 [0,0,0,0,2,0|1,0,1]=4 2815 B8R1.7 CC(N)c1ccco1 Amb9745704 [0,0,0,0,2,0|1,0,1]=4 2816 B8R1.7 CC(O)c1ccco1 Amb2725588 [0,0,0,0,2,0|0,0,2]=4 2817 B8R1.7 CC(S)c1ccco1 Amb9208025 [0,0,0,0,2,0|0,1,1]=4 2818 B8R1.7 C[C@@H](N)c1ccco1 Amb13952986 [0,0,0,0,2,0|1,0,1]=4 2819 B8R1.7 C[C@@H](N)c1ccco1 Amb30526698 [0,0,0,0,2,0|1,0,1]=4 2820 B8R1.7 C[C@@H](O)c1ccco1 Amb8515979 [0,0,0,0,2,0|0,0,2]=4 2821 B8R1.7 C[C@H](N)c1ccco1 Amb13952985 [0,0,0,0,2,0|1,0,1]=4 2822 B8R1.7 C[C@H](N)c1ccco1 Amb28934820 [0,0,0,0,2,0|1,0,1]=4 2823 B8R1.7 C[C@H](O)c1ccco1 Amb8515981 [0,0,0,0,2,0|0,0,2]=4 2824 B8R1.7 C[SiH](C)c1ccco1 Amb27624813 [0,0,0,0,2,0|1,1,0]=4 2825 B8R1.7 N=C(N)c1ccco1 Amb13952844 [0,0,0,0,2,0|2,0,0]=4 2826 B8R1.7 N=C(N)c1ccco1 Amb2695169 [0,0,0,0,2,0|2,0,0]=4 2827 B8R1.7 N=C(N)c1ccco1 Amb9210508 [0,0,0,0,2,0|2,0,0]=4 2828 B8R1.7 NC(=O)c1ccco1 Amb6373632 [0,0,0,0,2,0|1,0,0]=3 2829 B8R1.7 NC(=O)c1cccs1 Amb2722696 [0,0,0,0,2,0|1,1,0]=4 2830 B8R1.7 NC(=O)c1ccno1 Amb4477414 [0,0,0,0,2,0|2,0,0]=4 2831 B8R1.7 NC(=O)c1cnco1 Amb22000976 [0,0,0,0,2,0|2,0,0]=4 2832 B8R1.7 NC(=O)c1ncco1 Amb21963562 [0,0,0,0,2,0|2,0,0]=4 2833 B8R1.7 NC(=S)c1ccco1 Amb2099744 [0,0,0,0,2,0|1,1,0]=4 2834 B8R1.7 O=C(Br)c1cccs1 Amb27239935 [0,0,0,0,2,0|1,1,0]=4 2835 B8R1.7 O=C(Cl)c1ccco1 Amb2716231 [0,0,0,0,2,0|1,0,0]=3 2836 B8R1.7 O=C(Cl)c1cccs1 Amb1157175 [0,0,0,0,2,0|1,1,0]=4 2837 B8R1.7 O=C(Cl)c1ccno1 Amb2689052 [0,0,0,0,2,0|2,0,0]=4 2838 B8R1.7 O=C(Cl)c1cnco1 Amb26915176 [0,0,0,0,2,0|2,0,0]=4 2839 B8R1.7 O=C(O)c1ccc[se]1 Amb2611630 [0,0,0,0,2,0|1,1,0]=4 2840 B8R1.7 O=C(O)c1ccco1 Amb6335264 [0,0,0,0,2,0|1,0,0]=3 2841 B8R1.7 O=C(O)c1cccs1 Amb2690602 [0,0,0,0,2,0|1,1,0]=4 2842 B8R1.7 O=C(O)c1ccno1 Amb1152220 [0,0,0,0,2,0|2,0,0]=4 2843 B8R1.7 O=C(O)c1cnco1 Amb1158212 [0,0,0,0,2,0|2,0,0]=4 2844 B8R1.7 O=C(O)c1ncco1 Amb8009395 [0,0,0,0,2,0|2,0,0]=4 2845 B8R1.7 O=C([O-])c1cccs1 Amb10067272 [0,0,0,0,2,0|1,1,0]=4 2846 B8R1.7 O=C([O-])c1ncco1 Amb33547593 [0,0,0,0,2,0|2,0,0]=4 2847 B8R1.7 O=C([O-])c1ncco1 Amb33733801 [0,0,0,0,2,0|2,0,0]=4 2848 B8R1.7 O=S([O-])c1ccco1 Amb32754730 [0,0,0,0,2,0|2,0,0]=4 2849 B8R1.7 O=[N+]([O-])c1ccco1 Amb10573954 [0,0,0,0,2,0|2,0,0]=4 2850 B10R1.17 C=C\C=C\c1ccccc1 Amb17938988 [1,0,0,0,0,1|1,0,1]=4 2851 B10R1.17 C=C\C=C\c1cccnc1 Amb27976078 [1,0,0,0,0,1|1,0,1]=4 2852 B10R1.17 CC=C=Cc1ccccc1 Amb27435633 [1,0,0,0,0,1|1,0,1]=4 2853 B10R1.17 CC\C=C/c1cccnc1 Amb24602371 [1,0,0,0,0,1|1,0,1]=4 2854 B10R1.17 CC\C=C\c1ccccc1 Amb17673826 [1,0,0,0,0,1|1,0,1]=4 2855 B10R1.17 CC\C=C\c1cccnc1 Amb28076152 [1,0,0,0,0,1|1,0,1]=4 2856 B10R1.17 CO\C=C/c1ccncc1 Amb24103279 [1,0,0,0,0,1|2,0,0]=4 2857 B10R1.17 CO\C=C\c1ccccc1 Amb22002452 [1,0,0,0,0,1|2,0,0]=4 2858 B10R1.17 CS\C=C\c1ccccc1 Amb27654244 [1,0,0,0,0,1|2,0,0]=4 2859 B10R1.17 C\C=C/Cc1cccnc1 Amb27470932 [1,0,0,0,0,1|1,0,1]=4 2860 B10R1.17 C\C=C\Cc1ccccc1 Amb4035140 [1,0,0,0,0,1|1,0,1]=4 2861 B10R1.17 C\C=C\Sc1ccccc1 Amb24665698 [1,0,0,0,0,1|2,0,0]=4 2862 B10R1.17 O=C=C\C=C1/C=CC=CN1 Amb27779702 [1,0,0,0,0,1|1,0,1]=4 2863 B10R1.17 O=C\C=C/c1ccccc1 Amb20246989 [1,0,0,0,0,1|1,0,0]=3 2864 B10R1.17 O=C\C=C\c1ccccc1 Amb2792758 [1,0,0,0,0,1|1,0,0]=3 2865 B10R1.17 O=C\C=C\c1ccccn1 Amb17334135 [1,0,0,0,0,1|1,0,0]=3 2866 B10R1.17 O=C\C=C\c1cccnc1 Amb17334136 [1,0,0,0,0,1|1,0,0]=3 2867 B10R1.17 O=C\C=C\c1cccnn1 Amb18642956 [1,0,0,0,0,1|1,0,0]=3 2868 B10R1.17 O=C\C=C\c1ccncc1 Amb33249631 [1,0,0,0,0,1|1,0,0]=3 2869 B10R1.17 O=C\C=C\c1ccncn1 Amb18642951 [1,0,0,0,0,1|1,0,0]=3 2870 B10R1.17 O=C\C=C\c1cnccn1 Amb35600870 [1,0,0,0,0,1|1,0,0]=3 2871 B10R1.17 O=C\C=C\c1cncnc1 Amb25130263 [1,0,0,0,0,1|2,0,0]=4 2872 B10R1.17 O=C\C=C\c1ncccn1 Amb33270347 [1,0,0,0,0,1|1,0,0]=3 2873 B12R1.252 CC(=O)C\C=C\c1ccccc1 Amb24740083 [0,0,0,0,0,2|1,0,0]=3 2874 B12R1.252 CC(=O)C\C=N\c1ccccc1 Amb25205414 [0,0,0,0,0,2|1,0,1]=4 2875 B12R1.252 CC(=O)N\N=C\c1ccccc1 Amb2732164 [0,0,0,0,0,2|2,0,0]=4 2876 B12R1.252 CC(=O)N\N=C\c1ccccn1 Amb6878917 [0,0,0,0,0,2|2,0,0]=4 2877 B12R1.252 CC(=O)O\C=C\c1ccccc1 Amb25829428 [0,0,0,0,0,2|1,0,0]=3 2878 B12R1.252 CC(=O)O\N=C\c1cnccn1 Amb27225070 [0,0,0,0,0,2|2,0,0]=4 2879 B12R1.252 CC(=O)\C=C/Nc1ccccc1 Amb28461253 [0,0,0,0,0,2|1,0,0]=3 2880 B12R1.252 CC(=O)\C=C\Cc1ccccc1 Amb32954414 [0,0,0,0,0,2|1,0,0]=3 2881 B12R1.252 CC(=O)\C=C\N=C1C=CNC=C1 Amb25351670 [0,0,0,0,0,2|1,0,0]=3 2882 B12R1.252 CC(=O)\C=C\Nc1ccccc1 Amb22266045 [0,0,0,0,0,2|1,0,0]=3 2883 B12R1.252 CC(=O)\C=C\Nc1ccccn1 Amb22490408 [0,0,0,0,0,2|1,0,0]=3 2884 B12R1.252 CC(=O)\C=C\Oc1ccccc1 Amb26528572 [0,0,0,0,0,2|1,0,0]=3 2885 B12R1.252 CC(=O)\C=C\Sc1ccccc1 Amb35789855 [0,0,0,0,0,2|1,0,0]=3 2886 B12R1.252 CC(=O)\C=N\Nc1ccccc1 Amb2425155 [0,0,0,0,0,2|2,0,0]=4 2887 B12R1.252 CC(C)=C\C=C/c1ccccn1 Amb22546609 [0,0,0,0,0,2|2,0,0]=4 2888 B12R1.252 CC(C)=C\C=C\c1ccccc1 Amb28143072 [0,0,0,0,0,2|2,0,0]=4 2889 B12R1.252 C\C(N)=N\C=C\c1ccccc1 Amb28457490 [0,0,0,0,0,2|2,0,0]=4 2890 B12R1.252 O=C(Cl)C\C=C\c1ccccc1 Amb25269722 [0,0,0,0,0,2|2,0,0]=4 2891 B12R1.252 O=C(O)C=C=Cc1ccccc1 Amb25102534 [0,0,0,0,0,2|2,0,0]=4 2892 B12R1.252 O=C(O)C\C=C\c1ccccc1 Amb6280352 [0,0,0,0,0,2|2,0,0]=4 2893 B12R1.252 O=C(O)C\C=C\c1ccccn1 Amb25073201 [0,0,0,0,0,2|2,0,0]=4 2894 B12R1.252 O=C(O)C\C=C\c1cccnc1 Amb26478515 [0,0,0,0,0,2|2,0,0]=4 2895 B12R1.252 O=C(O)C\C=C\c1ccncc1 Amb24571194 [0,0,0,0,0,2|2,0,0]=4 2896 B12R1.252 O=C(O)\C=C/Sc1ccccc1 Amb3940780 [0,0,0,0,0,2|2,0,0]=4 2897 B12R1.252 O=C(O)\C=C\Cc1ccccc1 Amb8392409 [0,0,0,0,0,2|2,0,0]=4 2898 B12R1.252 O=C(O)\C=C\Cc1cccnc1 Amb25849857 [0,0,0,0,0,2|2,0,0]=4 2899 B12R1.252 O=C(O)\C=C\Cc1ccncc1 Amb26841073 [0,0,0,0,0,2|2,0,0]=4 2900 B12R1.252 O=C(O)\C=C\Sc1ccccc1 Amb1661597 [0,0,0,0,0,2|2,0,0]=4 2901 B12R1.252 O=C(O)\C=C\Sc1ccccn1 Amb27865585 [0,0,0,0,0,2|2,0,0]=4 2902 B12R1.252 O=C([O-])\C=C\Sc1ccccc1 Amb534252 [0,0,0,0,0,2|2,0,0]=4 2903 B12R1.255 CC(=O)CC\C=C\c1cccs1 Amb18224700 [0,0,0,0,0,2|0,1,0]=3 2904 B12R1.255 CC(=O)\C=C\C=C\c1ccco1 Amb27947680 [0,0,0,0,0,2|0,0,0]=2 2905 B12R1.255 CC(=O)\C=C\C=C\c1cccs1 Amb25340969 [0,0,0,0,0,2|0,1,0]=3 2906 B12R1.255 CC(=O)\C=C\CCc1ccsc1 Amb33320898 [0,0,0,0,0,2|2,0,0]=4 2907 B12R1.255 CC(=O)\C=C\CCn1cccn1 Amb32727339 [0,0,0,0,0,2|2,0,0]=4 2908 B12R1.255 NC(=O)\C=C\C=C\c1ccco1 Amb27204027 [0,0,0,0,0,2|1,0,0]=3 2909 B12R1.255 O=C(O)CC\C=C\c1cccs1 Amb17233930 [0,0,0,0,0,2|1,1,0]=4 2910 B12R1.255 O=C(O)CO\N=C\c1ccco1 Amb1852351 [0,0,0,0,0,2|1,0,1]=4 2911 B12R1.255 O=C(O)\C=C\C=C\c1ccco1 Amb28318562 [0,0,0,0,0,2|1,0,0]=3 2912 B12R1.255 O=C(O)\C=C\C=C\c1cccs1 Amb28079338 [0,0,0,0,0,2|1,1,0]=4 2913 B12R1.255 O=C(O)\C=C\CCc1ccco1 Amb33470069 [0,0,0,0,0,2|1,0,0]=3 2914 B12R1.255 O=C(O)\C=C\SCc1ccco1 Amb20667695 [0,0,0,0,0,2|1,0,0]=3