0 B10R1.66 C=C(C)C#Cc1cccs1 Amb27423871 [0,0,0,0,0,0|2,1,1]=4 1 B10R1.66 C=C(C)CSc1ncco1 Amb27867926 [0,0,0,0,0,0|4,0,0]=4 2 B10R1.66 C=C(O)OCc1ccco1 Amb27861064 [0,0,0,0,0,0|0,0,2]=2 3 B10R1.66 CC(=N)NCc1ccco1 Amb27412338 [0,0,0,0,0,0|2,0,0]=2 4 B10R1.66 CC(=N)NCc1cccs1 Amb27260850 [0,0,0,0,0,0|2,1,0]=3 5 B10R1.66 CC(=N)NCc1ccns1 Amb35684804 [0,0,0,0,0,0|3,1,0]=4 6 B10R1.66 CC(=N)NCc1ccoc1 Amb27806675 [0,0,0,0,0,0|4,0,0]=4 7 B10R1.66 CC(=N)NCc1ccsc1 Amb27796745 [0,0,0,0,0,0|4,0,0]=4 8 B10R1.66 CC(=O)CCC1=CCCO1 Amb27424851 [0,0,0,0,0,0|1,0,2]=3 9 B10R1.66 CC(=O)CCC1=NCCO1 Amb28146011 [0,0,0,0,0,0|2,0,2]=4 10 B10R1.66 CC(=O)CCc1ccco1 Amb1107538 [0,0,0,0,0,0|1,0,0]=1 11 B10R1.66 CC(=O)CCc1cccs1 Amb5740049 [0,0,0,0,0,0|1,1,0]=2 12 B10R1.66 CC(=O)CCc1ccoc1 Amb27425020 [0,0,0,0,0,0|3,0,0]=3 13 B10R1.66 CC(=O)CCc1ccon1 Amb18832105 [0,0,0,0,0,0|3,0,0]=3 14 B10R1.66 CC(=O)CCc1ccsc1 Amb33532312 [0,0,0,0,0,0|3,0,0]=3 15 B10R1.66 CC(=O)CCc1ccsn1 Amb27190352 [0,0,0,0,0,0|3,0,0]=3 16 B10R1.66 CC(=O)CCc1cnco1 Amb18832107 [0,0,0,0,0,0|2,0,0]=2 17 B10R1.66 CC(=O)CCc1cncs1 Amb27469825 [0,0,0,0,0,0|2,1,0]=3 18 B10R1.66 CC(=O)CCc1cnsc1 Amb27855513 [0,0,0,0,0,0|4,0,0]=4 19 B10R1.66 CC(=O)CCc1cscn1 Amb25133415 [0,0,0,0,0,0|3,0,0]=3 20 B10R1.66 CC(=O)CCc1csnn1 Amb24537997 [0,0,0,0,0,0|4,0,0]=4 21 B10R1.66 CC(=O)CCc1ncco1 Amb18832106 [0,0,0,0,0,0|2,0,0]=2 22 B10R1.66 CC(=O)CCc1nccs1 Amb17334384 [0,0,0,0,0,0|2,1,0]=3 23 B10R1.66 CC(=O)CCc1nnco1 Amb27169119 [0,0,0,0,0,0|3,0,0]=3 24 B10R1.66 CC(=O)CCn1cccn1 Amb594009 [0,0,0,0,0,0|3,0,0]=3 25 B10R1.66 CC(=O)CCn1cncn1 Amb7777315 [0,0,0,0,0,0|4,0,0]=4 26 B10R1.66 CC(=O)CSc1cccs1 Amb2724458 [0,0,0,0,0,0|2,1,0]=3 27 B10R1.66 CC(=O)CSc1ccsc1 Amb27164562 [0,0,0,0,0,0|4,0,0]=4 28 B10R1.66 CC(=O)NCc1ccco1 Amb1209246 [0,0,0,0,0,0|1,0,0]=1 29 B10R1.66 CC(=O)NCc1cccs1 Amb1218150 [0,0,0,0,0,0|1,1,0]=2 30 B10R1.66 CC(=O)NCc1ccno1 Amb27868350 [0,0,0,0,0,0|2,0,0]=2 31 B10R1.66 CC(=O)NCc1ccns1 Amb35720522 [0,0,0,0,0,0|2,1,0]=3 32 B10R1.66 CC(=O)NCc1ccoc1 Amb27785725 [0,0,0,0,0,0|3,0,0]=3 33 B10R1.66 CC(=O)NCc1ccon1 Amb28049485 [0,0,0,0,0,0|3,0,0]=3 34 B10R1.66 CC(=O)NCc1ccsc1 Amb10945323 [0,0,0,0,0,0|3,0,0]=3 35 B10R1.66 CC(=O)NCc1cncs1 Amb27955071 [0,0,0,0,0,0|2,1,0]=3 36 B10R1.66 CC(=O)NCc1csnn1 Amb27845622 [0,0,0,0,0,0|4,0,0]=4 37 B10R1.66 CC(=O)OC[C@@H]1CCCO1 Amb27809975 [0,0,0,0,0,0|0,0,4]=4 38 B10R1.66 CC(=O)OCc1ccco1 Amb4334378 [0,0,0,0,0,0|0,0,0]=0 39 B10R1.66 CC(=O)OCc1ccoc1 Amb6358129 [0,0,0,0,0,0|2,0,0]=2 40 B10R1.66 CC(=O)OCc1cnon1 Amb24482118 [0,0,0,0,0,0|3,0,0]=3 41 B10R1.66 CC(=O)OCc1csnn1 Amb27197874 [0,0,0,0,0,0|3,0,0]=3 42 B10R1.66 CC(=O)OCc1nccs1 Amb26079763 [0,0,0,0,0,0|1,1,0]=2 43 B10R1.66 CC(=O)\C=C/c1ccco1 Amb25066388 [0,0,0,0,0,0|1,0,1]=2 44 B10R1.66 CC(=O)\C=C\c1ccco1 Amb6608963 [0,0,0,0,0,0|1,0,1]=2 45 B10R1.66 CC(=O)\C=C\c1cccs1 Amb33512960 [0,0,0,0,0,0|1,1,1]=3 46 B10R1.66 CC(=O)\C=C\c1ccns1 Amb35720406 [0,0,0,0,0,0|2,1,1]=4 47 B10R1.66 CC(=O)\C=C\c1ccoc1 Amb24479175 [0,0,0,0,0,0|3,0,1]=4 48 B10R1.66 CC(=O)\C=C\c1ccon1 Amb33199366 [0,0,0,0,0,0|3,0,1]=4 49 B10R1.66 CC(=O)\C=C\c1ccsc1 Amb22370887 [0,0,0,0,0,0|3,0,1]=4 50 B10R1.66 CC(=O)\C=C\c1cnco1 Amb33319933 [0,0,0,0,0,0|2,0,1]=3 51 B10R1.66 CC(=O)\C=C\c1cncs1 Amb33359799 [0,0,0,0,0,0|2,1,1]=4 52 B10R1.66 CC(=O)\C=C\c1cscn1 Amb32954498 [0,0,0,0,0,0|3,0,1]=4 53 B10R1.66 CC(=O)\C=C\c1nccs1 Amb33449103 [0,0,0,0,0,0|2,1,1]=4 54 B10R1.66 CC(C)CCc1cnco1 Amb35652274 [0,0,0,0,0,0|3,0,1]=4 55 B10R1.66 CC(C)NCc1ccco1 Amb1112725 [0,0,0,0,0,0|2,0,1]=3 56 B10R1.66 CC(C)NCc1ccco1 Amb2118781 [0,0,0,0,0,0|2,0,1]=3 57 B10R1.66 CC(C)NCc1cccs1 Amb2118445 [0,0,0,0,0,0|2,1,1]=4 58 B10R1.66 CC(C)NCc1cccs1 Amb6254676 [0,0,0,0,0,0|2,1,1]=4 59 B10R1.66 CC(C)NCc1ncco1 Amb26461099 [0,0,0,0,0,0|3,0,1]=4 60 B10R1.66 CC(C)OCc1ccco1 Amb27256785 [0,0,0,0,0,0|1,0,1]=2 61 B10R1.66 CC(C)OCc1cnco1 Amb35652446 [0,0,0,0,0,0|2,0,1]=3 62 B10R1.66 CC(C)\N=C\c1ccco1 Amb26390881 [0,0,0,0,0,0|2,0,2]=4 63 B10R1.66 CC(Cl)\C=C\c1ccco1 Amb28068285 [0,0,0,0,0,0|2,0,2]=4 64 B10R1.66 CC(N)CCc1ccco1 Amb9703511 [0,0,0,0,0,0|2,0,1]=3 65 B10R1.66 CC(N)CCc1cccs1 Amb5740104 [0,0,0,0,0,0|2,1,1]=4 66 B10R1.66 CC(N)CCc1ccno1 Amb18831844 [0,0,0,0,0,0|3,0,1]=4 67 B10R1.66 CC(N)CCc1cnco1 Amb33414824 [0,0,0,0,0,0|3,0,1]=4 68 B10R1.66 CC(N)SCc1ccco1 Amb27201673 [0,0,0,0,0,0|1,1,1]=3 69 B10R1.66 CC(N)\C=C\c1ccco1 Amb33362421 [0,0,0,0,0,0|2,0,2]=4 70 B10R1.66 CC(O)CCc1ccco1 Amb9358376 [0,0,0,0,0,0|1,0,2]=3 71 B10R1.66 CC(O)CCc1cccs1 Amb17507262 [0,0,0,0,0,0|1,1,2]=4 72 B10R1.66 CC(O)CCc1cnco1 Amb33414823 [0,0,0,0,0,0|2,0,2]=4 73 B10R1.66 CC(O)\C=C\c1ccco1 Amb24504965 [0,0,0,0,0,0|1,0,3]=4 74 B10R1.66 CC(S)CCc1ccco1 Amb32788128 [0,0,0,0,0,0|1,1,1]=3 75 B10R1.66 CN(C)\N=C\c1ccco1 Amb16192915 [0,0,0,0,0,0|3,0,1]=4 76 B10R1.66 CS(=O)CCn1cccc1 Amb28138827 [0,0,0,0,0,0|4,0,0]=4 77 B10R1.66 CS(=O)\N=C\c1ccco1 Amb35681668 [0,0,0,0,0,0|2,0,1]=3 78 B10R1.66 CS(=O)\N=C\c1cccs1 Amb35681657 [0,0,0,0,0,0|2,1,1]=4 79 B10R1.66 C[C@@H](N)CCc1ccco1 Amb33360959 [0,0,0,0,0,0|2,0,1]=3 80 B10R1.66 C[C@@H](N)CCc1cccs1 Amb33360885 [0,0,0,0,0,0|2,1,1]=4 81 B10R1.66 C[C@@H](N)CCc1cnco1 Amb33414820 [0,0,0,0,0,0|3,0,1]=4 82 B10R1.66 C[C@@H](O)CCc1ccco1 Amb27763861 [0,0,0,0,0,0|1,0,2]=3 83 B10R1.66 C[C@@H](O)CCc1cccs1 Amb33360886 [0,0,0,0,0,0|1,1,2]=4 84 B10R1.66 C[C@@H](O)CCc1cnco1 Amb33414821 [0,0,0,0,0,0|2,0,2]=4 85 B10R1.66 C[C@H](N)CCc1ccco1 Amb33360958 [0,0,0,0,0,0|2,0,1]=3 86 B10R1.66 C[C@H](N)CCc1cccs1 Amb33360884 [0,0,0,0,0,0|2,1,1]=4 87 B10R1.66 C[C@H](N)CCc1cnco1 Amb33414818 [0,0,0,0,0,0|3,0,1]=4 88 B10R1.66 C[C@H](O)CCc1ccco1 Amb28321432 [0,0,0,0,0,0|1,0,2]=3 89 B10R1.66 C[C@H](O)CCc1cccs1 Amb33360887 [0,0,0,0,0,0|1,1,2]=4 90 B10R1.66 C[C@H](O)CCc1cnco1 Amb33414822 [0,0,0,0,0,0|2,0,2]=4 91 B10R1.66 N=C(N)CCc1ccco1 Amb18063862 [0,0,0,0,0,0|3,0,0]=3 92 B10R1.66 N=C(N)CCc1cccs1 Amb18065430 [0,0,0,0,0,0|3,1,0]=4 93 B10R1.66 N=C(N)NCc1ccco1 Amb1981457 [0,0,0,0,0,0|3,0,0]=3 94 B10R1.66 N=C(N)NCc1cccs1 Amb18796868 [0,0,0,0,0,0|3,1,0]=4 95 B10R1.66 NC(=O)C#Cc1ccco1 Amb28340501 [0,0,0,0,0,0|2,0,1]=3 96 B10R1.66 NC(=O)C#Cc1cccs1 Amb26378787 [0,0,0,0,0,0|2,1,1]=4 97 B10R1.66 NC(=O)CCc1cncs1 Amb27881697 [0,0,0,0,0,0|3,1,0]=4 98 B10R1.66 NC(=O)CCn1cccn1 Amb9173659 [0,0,0,0,0,0|4,0,0]=4 99 B10R1.66 NC(=O)CSc1cccs1 Amb4330204 [0,0,0,0,0,0|3,1,0]=4 100 B10R1.66 NC(=O)NCc1ccco1 Amb1105644 [0,0,0,0,0,0|2,0,0]=2 101 B10R1.66 NC(=O)NCc1cccs1 Amb1106145 [0,0,0,0,0,0|2,1,0]=3 102 B10R1.66 NC(=O)NCc1ccns1 Amb35682434 [0,0,0,0,0,0|3,1,0]=4 103 B10R1.66 NC(=O)NCc1cncs1 Amb27954834 [0,0,0,0,0,0|3,1,0]=4 104 B10R1.66 NC(=O)NCc1cocn1 Amb28045654 [0,0,0,0,0,0|4,0,0]=4 105 B10R1.66 NC(=O)NCc1cscn1 Amb27394421 [0,0,0,0,0,0|4,0,0]=4 106 B10R1.66 NC(=O)NCc1nccs1 Amb18791803 [0,0,0,0,0,0|3,1,0]=4 107 B10R1.66 NC(=O)OCC1OC=CO1 Amb28040898 [0,0,0,0,0,0|2,0,1]=3 108 B10R1.66 NC(=O)OCc1ccco1 Amb28424169 [0,0,0,0,0,0|1,0,0]=1 109 B10R1.66 NC(=O)\C=C\c1ccco1 Amb6387328 [0,0,0,0,0,0|2,0,1]=3 110 B10R1.66 NC(=O)\C=C\c1cccs1 Amb3429140 [0,0,0,0,0,0|2,1,1]=4 111 B10R1.66 NC(=S)NCc1ccco1 Amb1152245 [0,0,0,0,0,0|2,1,0]=3 112 B10R1.66 NC(=S)\C=C/c1ccco1 Amb18108368 [0,0,0,0,0,0|2,1,1]=4 113 B10R1.66 NC(=[NH2+])NCc1ccco1 Amb9799916 [0,0,0,0,0,0|3,0,0]=3 114 B10R1.66 O=C(Cl)CCc1cccs1 Amb23440823 [0,0,0,0,0,0|2,1,0]=3 115 B10R1.66 O=C(Cl)CCc1ccoc1 Amb27636729 [0,0,0,0,0,0|4,0,0]=4 116 B10R1.66 O=C(Cl)CCc1ccsc1 Amb28041943 [0,0,0,0,0,0|4,0,0]=4 117 B10R1.66 O=C(Cl)CCc1cncs1 Amb28135731 [0,0,0,0,0,0|3,1,0]=4 118 B10R1.66 O=C(Cl)CCc1nccs1 Amb27192253 [0,0,0,0,0,0|3,1,0]=4 119 B10R1.66 O=C(Cl)NCc1ccco1 Amb35636921 [0,0,0,0,0,0|2,0,0]=2 120 B10R1.66 O=C(Cl)NCc1cccs1 Amb30028127 [0,0,0,0,0,0|2,1,0]=3 121 B10R1.66 O=C(Cl)NCc1ccoc1 Amb35625730 [0,0,0,0,0,0|4,0,0]=4 122 B10R1.66 O=C(Cl)NCc1ccsc1 Amb35625666 [0,0,0,0,0,0|4,0,0]=4 123 B10R1.66 O=C(Cl)OCc1ccco1 Amb26542188 [0,0,0,0,0,0|1,0,0]=1 124 B10R1.66 O=C(Cl)OCc1cccs1 Amb28049418 [0,0,0,0,0,0|1,1,0]=2 125 B10R1.66 O=C(Cl)OCc1ccon1 Amb33297270 [0,0,0,0,0,0|3,0,0]=3 126 B10R1.66 O=C(Cl)OCc1cncs1 Amb33297341 [0,0,0,0,0,0|2,1,0]=3 127 B10R1.66 O=C(Cl)OCc1cnns1 Amb33297424 [0,0,0,0,0,0|3,1,0]=4 128 B10R1.66 O=C(Cl)OCc1cnon1 Amb33296507 [0,0,0,0,0,0|4,0,0]=4 129 B10R1.66 O=C(Cl)OCc1cscn1 Amb27228378 [0,0,0,0,0,0|3,0,0]=3 130 B10R1.66 O=C(Cl)\C=C/c1ccco1 Amb26581586 [0,0,0,0,0,0|2,0,1]=3 131 B10R1.66 O=C(Cl)\C=C\c1ccco1 Amb16230244 [0,0,0,0,0,0|2,0,1]=3 132 B10R1.66 O=C(Cl)\C=C\c1cccs1 Amb7173093 [0,0,0,0,0,0|2,1,1]=4 133 B10R1.66 O=C(O)C#Cc1ccco1 Amb20672984 [0,0,0,0,0,0|2,0,1]=3 134 B10R1.66 O=C(O)C#Cc1cccs1 Amb17138439 [0,0,0,0,0,0|2,1,1]=4 135 B10R1.66 O=C(O)C#Cc1cnco1 Amb33168946 [0,0,0,0,0,0|3,0,1]=4 136 B10R1.66 O=C(O)CCc1ccco1 Amb1153073 [0,0,0,0,0,0|2,0,0]=2 137 B10R1.66 O=C(O)CCc1cccs1 Amb1154297 [0,0,0,0,0,0|2,1,0]=3 138 B10R1.66 O=C(O)CCc1ccno1 Amb1092001 [0,0,0,0,0,0|3,0,0]=3 139 B10R1.66 O=C(O)CCc1ccns1 Amb18830640 [0,0,0,0,0,0|3,1,0]=4 140 B10R1.66 O=C(O)CCc1ccoc1 Amb18643489 [0,0,0,0,0,0|4,0,0]=4 141 B10R1.66 O=C(O)CCc1ccon1 Amb8009421 [0,0,0,0,0,0|4,0,0]=4 142 B10R1.66 O=C(O)CCc1ccsc1 Amb1153814 [0,0,0,0,0,0|4,0,0]=4 143 B10R1.66 O=C(O)CCc1ccsn1 Amb18830643 [0,0,0,0,0,0|4,0,0]=4 144 B10R1.66 O=C(O)CCc1cnco1 Amb22011672 [0,0,0,0,0,0|3,0,0]=3 145 B10R1.66 O=C(O)CCc1cncs1 Amb18830641 [0,0,0,0,0,0|3,1,0]=4 146 B10R1.66 O=C(O)CCc1cncs1 Amb32661213 [0,0,0,0,0,0|3,1,0]=4 147 B10R1.66 O=C(O)CCc1cocn1 Amb17399866 [0,0,0,0,0,0|4,0,0]=4 148 B10R1.66 O=C(O)CCc1cscn1 Amb33528760 [0,0,0,0,0,0|4,0,0]=4 149 B10R1.66 O=C(O)CCc1ncco1 Amb17399867 [0,0,0,0,0,0|3,0,0]=3 150 B10R1.66 O=C(O)CCc1nccs1 Amb33528763 [0,0,0,0,0,0|3,1,0]=4 151 B10R1.66 O=C(O)CCc1nnco1 Amb17138394 [0,0,0,0,0,0|4,0,0]=4 152 B10R1.66 O=C(O)CCn1cccc1 Amb1130611 [0,0,0,0,0,0|4,0,0]=4 153 B10R1.66 O=C(O)CCn1cccn1 Amb1159216 [0,0,0,0,0,0|4,0,0]=4 154 B10R1.66 O=C(O)CCn1cccn1 Amb22586761 [0,0,0,0,0,0|4,0,0]=4 155 B10R1.66 O=C(O)CNc1ccco1 Amb27846560 [0,0,0,0,0,0|3,0,0]=3 156 B10R1.66 O=C(O)CNc1cccs1 Amb26516474 [0,0,0,0,0,0|3,1,0]=4 157 B10R1.66 O=C(O)COc1ccco1 Amb28050105 [0,0,0,0,0,0|3,0,0]=3 158 B10R1.66 O=C(O)COc1cccs1 Amb27233232 [0,0,0,0,0,0|3,1,0]=4 159 B10R1.66 O=C(O)COc1cnco1 Amb33319560 [0,0,0,0,0,0|4,0,0]=4 160 B10R1.66 O=C(O)CSc1ccco1 Amb27975289 [0,0,0,0,0,0|3,0,0]=3 161 B10R1.66 O=C(O)CSc1cccs1 Amb2796029 [0,0,0,0,0,0|3,1,0]=4 162 B10R1.66 O=C(O)\C=C/c1ccco1 Amb26458726 [0,0,0,0,0,0|2,0,1]=3 163 B10R1.66 O=C(O)\C=C/c1cccs1 Amb27658635 [0,0,0,0,0,0|2,1,1]=4 164 B10R1.66 O=C(O)\C=C\c1ccco1 Amb6335256 [0,0,0,0,0,0|2,0,1]=3 165 B10R1.66 O=C(O)\C=C\c1cccs1 Amb24076486 [0,0,0,0,0,0|2,1,1]=4 166 B10R1.66 O=C(O)\C=C\c1cccs1 Amb33716246 [0,0,0,0,0,0|2,1,1]=4 167 B10R1.66 O=C(O)\C=C\c1ccno1 Amb27851739 [0,0,0,0,0,0|3,0,1]=4 168 B10R1.66 O=C(O)\C=C\c1cnco1 Amb32954265 [0,0,0,0,0,0|3,0,1]=4 169 B10R1.66 O=C(O)\C=C\c1ncco1 Amb26921286 [0,0,0,0,0,0|3,0,1]=4 170 B10R1.66 O=C([O-])CCc1cccs1 Amb33512993 [0,0,0,0,0,0|2,1,0]=3 171 B10R1.66 O=N(=O)CCc1ccco1 Amb5498739 [0,0,0,0,0,0|3,0,0]=3 172 B10R1.66 O=S([O-])CCc1cccs1 Amb32755133 [0,0,0,0,0,0|3,1,0]=4 173 B10R1.66 O=[N+]([O-])CCc1ccco1 Amb534787 [0,0,0,0,0,0|3,0,0]=3 174 B10R1.66 O=[N+]([O-])CCc1cccs1 Amb17400023 [0,0,0,0,0,0|3,1,0]=4 175 B10R1.66 O=[N+]([O-])CCc1cnco1 Amb33414796 [0,0,0,0,0,0|4,0,0]=4 176 B10R1.66 O=[N+]([O-])\C=C\c1ccco1 Amb6316064 [0,0,0,0,0,0|3,0,1]=4 177 B10R1.66 S=C(S)NCc1ccco1 Amb16231255 [0,0,0,0,0,0|2,1,0]=3 178 B10R1.66 S=C(S)NCc1cccs1 Amb2781948 [0,0,0,0,0,0|2,2,0]=4 179 B9R1.12 BrCCCc1ccco1 Amb17104550 [1,0,0,0,0,0|2,0,1]=4 180 B9R1.12 C#CCCc1ccco1 Amb27838602 [1,0,0,0,0,0|1,0,2]=4 181 B9R1.12 C=CCCc1ccco1 Amb35680299 [1,0,0,0,0,0|1,0,1]=3 182 B9R1.12 C=CCCc1cccs1 Amb27476978 [1,0,0,0,0,0|1,1,1]=4 183 B9R1.12 CCCCc1ccco1 Amb10070290 [1,0,0,0,0,0|1,0,1]=3 184 B9R1.12 CCCCc1cccs1 Amb4477470 [1,0,0,0,0,0|1,1,1]=4 185 B9R1.12 CCCCc1cnco1 Amb35647888 [1,0,0,0,0,0|2,0,1]=4 186 B9R1.12 CCNCc1ccco1 Amb1137312 [1,0,0,0,0,0|1,0,1]=3 187 B9R1.12 CCNCc1ccco1 Amb8191019 [1,0,0,0,0,0|1,0,1]=3 188 B9R1.12 CCNCc1cccs1 Amb1088620 [1,0,0,0,0,0|1,1,1]=4 189 B9R1.12 CCNCc1cccs1 Amb22283900 [1,0,0,0,0,0|1,1,1]=4 190 B9R1.12 CCNCc1cnco1 Amb18291304 [1,0,0,0,0,0|2,0,1]=4 191 B9R1.12 CCOCc1ccco1 Amb22234292 [1,0,0,0,0,0|0,0,1]=2 192 B9R1.12 CCOCc1cnco1 Amb30035677 [1,0,0,0,0,0|1,0,1]=3 193 B9R1.12 CCOCn1cccc1 Amb27954704 [1,0,0,0,0,0|2,0,1]=4 194 B9R1.12 CCOCn1cccn1 Amb27461291 [1,0,0,0,0,0|2,0,1]=4 195 B9R1.12 CCSCc1ccco1 Amb26949169 [1,0,0,0,0,0|0,1,1]=3 196 B9R1.12 CC\N=C\c1ccco1 Amb27443134 [1,0,0,0,0,0|1,0,2]=4 197 B9R1.12 CNCCc1ccco1 Amb17399803 [1,0,0,0,0,0|2,0,0]=3 198 B9R1.12 CNCCc1cccs1 Amb6712648 [1,0,0,0,0,0|2,1,0]=4 199 B9R1.12 CNCCc1ccno1 Amb28368791 [1,0,0,0,0,0|3,0,0]=4 200 B9R1.12 CNCCc1cnco1 Amb33415561 [1,0,0,0,0,0|3,0,0]=4 201 B9R1.12 CNCCc1ncco1 Amb18222315 [1,0,0,0,0,0|3,0,0]=4 202 B9R1.12 CNNCc1ccco1 Amb27463559 [1,0,0,0,0,0|2,0,0]=3 203 B9R1.12 COCCC1=CC=CC1 Amb27806849 [1,0,0,0,0,0|3,0,0]=4 204 B9R1.12 COCCc1cnco1 Amb35647935 [1,0,0,0,0,0|3,0,0]=4 205 B9R1.12 CONCc1ccno1 Amb28063515 [1,0,0,0,0,0|3,0,0]=4 206 B9R1.12 CSCCc1ccco1 Amb27438612 [1,0,0,0,0,0|2,0,0]=3 207 B9R1.12 CSCCc1cccs1 Amb27443874 [1,0,0,0,0,0|2,1,0]=4 208 B9R1.12 CSSCc1ccco1 Amb8393174 [1,0,0,0,0,0|1,1,0]=3 209 B9R1.12 C\C=C/Cn1cccc1 Amb27790551 [1,0,0,0,0,0|3,0,0]=4 210 B9R1.12 C\C=C\Cn1cccn1 Amb27168412 [1,0,0,0,0,0|3,0,0]=4 211 B9R1.12 ClCCCc1ccco1 Amb8860563 [1,0,0,0,0,0|2,0,1]=4 212 B9R1.12 Cl\C=C\Cc1ccco1 Amb27843650 [1,0,0,0,0,0|2,0,0]=3 213 B9R1.12 N#CCCc1ccco1 Amb20623925 [1,0,0,0,0,0|2,0,1]=4 214 B9R1.12 N#CSCc1ccco1 Amb27162772 [1,0,0,0,0,0|1,1,1]=4 215 B9R1.12 NCCCc1ccco1 Amb534785 [1,0,0,0,0,0|2,0,1]=4 216 B9R1.12 NOCCc1ccco1 Amb25208726 [1,0,0,0,0,0|3,0,0]=4 217 B9R1.12 O=C=NCc1ccco1 Amb901884 [1,0,0,0,0,0|1,0,1]=3 218 B9R1.12 O=C=NCc1cccs1 Amb33541078 [1,0,0,0,0,0|1,1,1]=4 219 B9R1.12 O=C=NCc1ccno1 Amb18061876 [1,0,0,0,0,0|2,0,1]=4 220 B9R1.12 O=C=NCc1cnco1 Amb33415269 [1,0,0,0,0,0|2,0,1]=4 221 B9R1.12 O=CCCc1ccco1 Amb17081672 [1,0,0,0,0,0|1,0,0]=2 222 B9R1.12 O=CCCc1cccs1 Amb17081673 [1,0,0,0,0,0|1,1,0]=3 223 B9R1.12 O=CCCc1ccns1 Amb27235027 [1,0,0,0,0,0|2,1,0]=4 224 B9R1.12 O=CCCc1ccoc1 Amb8394152 [1,0,0,0,0,0|3,0,0]=4 225 B9R1.12 O=CCCc1ccsc1 Amb26961096 [1,0,0,0,0,0|3,0,0]=4 226 B9R1.12 O=CCCc1cnco1 Amb26986955 [1,0,0,0,0,0|2,0,0]=3 227 B9R1.12 O=CCCc1cncs1 Amb25705083 [1,0,0,0,0,0|2,1,0]=4 228 B9R1.12 O=CCCc1nccs1 Amb8010561 [1,0,0,0,0,0|2,1,0]=4 229 B9R1.12 O=CCCn1cccn1 Amb4303948 [1,0,0,0,0,0|3,0,0]=4 230 B9R1.12 O=CCSc1cccs1 Amb17082929 [1,0,0,0,0,0|2,1,0]=4 231 B9R1.12 O=CNCc1ccco1 Amb3319177 [1,0,0,0,0,0|1,0,0]=2 232 B9R1.12 O=CNCc1cccs1 Amb27774671 [1,0,0,0,0,0|1,1,0]=3 233 B9R1.12 O=CNCc1ccns1 Amb35720521 [1,0,0,0,0,0|2,1,0]=4 234 B9R1.12 O=CNCc1ccoc1 Amb28188531 [1,0,0,0,0,0|3,0,0]=4 235 B9R1.12 O=CNCc1ccon1 Amb27838478 [1,0,0,0,0,0|3,0,0]=4 236 B9R1.12 O=CNCc1cncs1 Amb27628845 [1,0,0,0,0,0|2,1,0]=4 237 B9R1.12 O=CNCc1nccs1 Amb25295210 [1,0,0,0,0,0|2,1,0]=4 238 B9R1.12 O=COCc1ccco1 Amb26359842 [1,0,0,0,0,0|0,0,0]=1 239 B9R1.12 O=COCn1cccc1 Amb26423885 [1,0,0,0,0,0|2,0,0]=3 240 B9R1.12 O=C\C=C/c1ccco1 Amb27590405 [1,0,0,0,0,0|1,0,1]=3 241 B9R1.12 O=C\C=C\c1ccco1 Amb33870988 [1,0,0,0,0,0|1,0,1]=3 242 B9R1.12 O=C\C=C\c1cccs1 Amb17334164 [1,0,0,0,0,0|1,1,1]=4 243 B9R1.12 O=C\C=C\c1cnco1 Amb33414801 [1,0,0,0,0,0|2,0,1]=4 244 B9R1.12 OCCCc1ccco1 Amb8860560 [1,0,0,0,0,0|1,0,2]=4 245 B9R1.12 O\N=C\Cc1ccco1 Amb28368538 [1,0,0,0,0,0|2,0,1]=4 246 B9R1.12 S=C=NCc1ccco1 Amb6565407 [1,0,0,0,0,0|1,1,1]=4 247 B9R1.12 SCCCc1ccco1 Amb17399874 [1,0,0,0,0,0|1,1,1]=4 248 B9R1.12 [C-]#[N+]CCc1ccco1 Amb24743086 [1,0,0,0,0,0|2,0,1]=4 249 B9R1.12 [N-]=[N+]=NCc1ccco1 Amb25791515 [1,0,0,0,0,0|3,0,0]=4 250 B11R1.25 C#CC(=O)NCc1ccno1 Amb35702207 [0,1,0,0,0,0|2,0,1]=4 251 B11R1.25 C=CC(=O)CCc1ccco1 Amb27988543 [0,1,0,0,0,0|1,0,1]=3 252 B11R1.25 C=CC(=O)CCc1cnco1 Amb27673593 [0,1,0,0,0,0|2,0,1]=4 253 B11R1.25 C=CC(=O)NCc1ccno1 Amb25219798 [0,1,0,0,0,0|2,0,1]=4 254 B11R1.25 CC(C#N)NCc1ccco1 Amb17044859 [0,1,0,0,0,0|2,0,1]=4 255 B11R1.25 CC(C#N)OCc1ccco1 Amb18181686 [0,1,0,0,0,0|1,0,1]=3 256 B11R1.25 CC(C#N)SCc1ccco1 Amb18805648 [0,1,0,0,0,0|1,1,1]=4 257 B11R1.25 CC(C=O)CCc1ccco1 Amb28080204 [0,1,0,0,0,0|1,0,1]=3 258 B11R1.25 CC(CCc1ccco1)NN Amb18125790 [0,1,0,0,0,0|2,0,1]=4 259 B11R1.25 CC(CF)NCc1ccco1 Amb27671402 [0,1,0,0,0,0|2,0,1]=4 260 B11R1.25 CC(CO)NCc1ccco1 Amb9359840 [0,1,0,0,0,0|1,0,2]=4 261 B11R1.25 CC(CO)SCc1ccco1 Amb27492356 [0,1,0,0,0,0|0,1,2]=4 262 B11R1.25 CC(\C=C\c1ccco1)=N/O Amb32662875 [0,1,0,0,0,0|1,0,2]=4 263 B11R1.25 CCC(=N)NCc1ccno1 Amb27601992 [0,1,0,0,0,0|3,0,0]=4 264 B11R1.25 CCC(=O)CCc1ccco1 Amb18177203 [0,1,0,0,0,0|1,0,0]=2 265 B11R1.25 CCC(=O)CCc1ccsn1 Amb27271377 [0,1,0,0,0,0|3,0,0]=4 266 B11R1.25 CCC(=O)CCc1cscn1 Amb27670938 [0,1,0,0,0,0|3,0,0]=4 267 B11R1.25 CCC(=O)CCc1nccs1 Amb27671136 [0,1,0,0,0,0|2,1,0]=4 268 B11R1.25 CCC(=O)CSc1cccs1 Amb19075945 [0,1,0,0,0,0|2,1,0]=4 269 B11R1.25 CCC(=O)NCc1ccco1 Amb3097296 [0,1,0,0,0,0|1,0,0]=2 270 B11R1.25 CCC(=O)NCc1cccs1 Amb8324161 [0,1,0,0,0,0|1,1,0]=3 271 B11R1.25 CCC(=O)NCc1ccns1 Amb35720523 [0,1,0,0,0,0|2,1,0]=4 272 B11R1.25 CCC(=O)NCc1ccon1 Amb27204024 [0,1,0,0,0,0|3,0,0]=4 273 B11R1.25 CCC(=O)NCc1nccs1 Amb28350602 [0,1,0,0,0,0|2,1,0]=4 274 B11R1.25 CCC(=O)OCC1=CCCC1 Amb28326450 [0,1,0,0,0,0|1,0,2]=4 275 B11R1.25 CCC(=O)OCC1CC=CC1 Amb28326453 [0,1,0,0,0,0|1,0,2]=4 276 B11R1.25 CCC(=O)OSc1cccs1 Amb27272272 [0,1,0,0,0,0|1,1,0]=3 277 B11R1.25 CCC(=O)SCc1ccco1 Amb9786684 [0,1,0,0,0,0|0,1,0]=2 278 B11R1.25 CCC(=O)\C=C\c1ccco1 Amb25233726 [0,1,0,0,0,0|1,0,1]=3 279 B11R1.25 CCC(Br)CCc1ccco1 Amb27987844 [0,1,0,0,0,0|2,0,1]=4 280 B11R1.25 CCC(C)NCc1ccco1 Amb19890326 [0,1,0,0,0,0|2,0,1]=4 281 B11R1.25 CCC(C)NCc1ccco1 Amb9714693 [0,1,0,0,0,0|2,0,1]=4 282 B11R1.25 CCC(Cl)CCc1ccco1 Amb27987850 [0,1,0,0,0,0|2,0,1]=4 283 B11R1.25 CCC(N)CCc1ccco1 Amb19035953 [0,1,0,0,0,0|2,0,1]=4 284 B11R1.25 CCC(O)CCc1ccco1 Amb17939197 [0,1,0,0,0,0|1,0,2]=4 285 B11R1.25 CCS(=O)\N=C\c1ccco1 Amb35726565 [0,1,0,0,0,0|2,0,1]=4 286 B11R1.25 CNC(=O)CCc1ccco1 Amb8328018 [0,1,0,0,0,0|1,0,0]=2 287 B11R1.25 CNC(=O)CCc1cccs1 Amb27464851 [0,1,0,0,0,0|1,1,0]=3 288 B11R1.25 CNC(=O)CCc1ccsc1 Amb8331157 [0,1,0,0,0,0|3,0,0]=4 289 B11R1.25 CNC(=O)CCc1cscn1 Amb27458378 [0,1,0,0,0,0|3,0,0]=4 290 B11R1.25 CNC(=O)CCn1cccc1 Amb18182791 [0,1,0,0,0,0|3,0,0]=4 291 B11R1.25 CNC(=O)CCn1cccn1 Amb27254089 [0,1,0,0,0,0|3,0,0]=4 292 B11R1.25 CNC(=O)CSc1ncco1 Amb28249463 [0,1,0,0,0,0|3,0,0]=4 293 B11R1.25 CNC(=O)NCc1cccs1 Amb2132771 [0,1,0,0,0,0|1,1,0]=3 294 B11R1.25 CNC(=O)NCc1ccno1 Amb25682017 [0,1,0,0,0,0|2,0,0]=3 295 B11R1.25 CNC(=O)NCc1ccns1 Amb35682438 [0,1,0,0,0,0|2,1,0]=4 296 B11R1.25 CNC(=O)NCc1ccon1 Amb25920772 [0,1,0,0,0,0|3,0,0]=4 297 B11R1.25 CNC(=O)NCc1cncs1 Amb27462823 [0,1,0,0,0,0|2,1,0]=4 298 B11R1.25 CNC(=O)NCc1cocn1 Amb28281367 [0,1,0,0,0,0|3,0,0]=4 299 B11R1.25 CNC(=O)NCc1nccs1 Amb26860623 [0,1,0,0,0,0|2,1,0]=4 300 B11R1.25 CNC(=S)NCc1ccco1 Amb2738638 [0,1,0,0,0,0|1,1,0]=3 301 B11R1.25 CNC(=S)NCc1cccs1 Amb4343347 [0,1,0,0,0,0|1,2,0]=4 302 B11R1.25 CNC(=S)NCc1ccno1 Amb27776385 [0,1,0,0,0,0|2,1,0]=4 303 B11R1.25 CNC(C)CCc1ccco1 Amb1946260 [0,1,0,0,0,0|2,0,1]=4 304 B11R1.25 COC(=N)CCc1ccco1 Amb18065394 [0,1,0,0,0,0|2,0,0]=3 305 B11R1.25 COC(=N)CCc1cccs1 Amb18563908 [0,1,0,0,0,0|2,1,0]=4 306 B11R1.25 COC(=N)\C=C\c1ccco1 Amb27201924 [0,1,0,0,0,0|2,0,1]=4 307 B11R1.25 COC(=O)C#Cc1ccco1 Amb27855944 [0,1,0,0,0,0|1,0,1]=3 308 B11R1.25 COC(=O)C#Cc1cnco1 Amb33168805 [0,1,0,0,0,0|2,0,1]=4 309 B11R1.25 COC(=O)CCc1ccno1 Amb24762935 [0,1,0,0,0,0|2,0,0]=3 310 B11R1.25 COC(=O)CCc1ccoc1 Amb27272302 [0,1,0,0,0,0|3,0,0]=4 311 B11R1.25 COC(=O)CCc1ccsc1 Amb27491907 [0,1,0,0,0,0|3,0,0]=4 312 B11R1.25 COC(=O)CCc1cncs1 Amb28387274 [0,1,0,0,0,0|2,1,0]=4 313 B11R1.25 COC(=O)CCc1nccs1 Amb17334847 [0,1,0,0,0,0|2,1,0]=4 314 B11R1.25 COC(=O)CCn1cccc1 Amb18799453 [0,1,0,0,0,0|3,0,0]=4 315 B11R1.25 COC(=O)CCn1cccn1 Amb535322 [0,1,0,0,0,0|3,0,0]=4 316 B11R1.25 COC(=O)NCc1ccco1 Amb3363702 [0,1,0,0,0,0|1,0,0]=2 317 B11R1.25 COC(=O)NCc1ccns1 Amb35682439 [0,1,0,0,0,0|2,1,0]=4 318 B11R1.25 COC(=O)NCc1ccoc1 Amb27485865 [0,1,0,0,0,0|3,0,0]=4 319 B11R1.25 COC(=O)\C=C\c1ccco1 Amb26473604 [0,1,0,0,0,0|1,0,1]=3 320 B11R1.25 COC(=O)\C=C\c1cccs1 Amb2724557 [0,1,0,0,0,0|1,1,1]=4 321 B11R1.25 COC(=O)\C=C\c1cccs1 Amb33714728 [0,1,0,0,0,0|1,1,1]=4 322 B11R1.25 COC(=O)\C=C\c1ccno1 Amb27782507 [0,1,0,0,0,0|2,0,1]=4 323 B11R1.25 COC(=O)\C=C\c1ncco1 Amb27398431 [0,1,0,0,0,0|2,0,1]=4 324 B11R1.25 COC(=S)SCc1cccs1 Amb27987389 [0,1,0,0,0,0|0,3,0]=4 325 B11R1.25 COC(=S)SCc1ccno1 Amb27987391 [0,1,0,0,0,0|1,2,0]=4 326 B11R1.25 CSC(=S)NCc1ccco1 Amb5716146 [0,1,0,0,0,0|1,1,0]=3 327 B11R1.25 CSC(=S)NCc1cccs1 Amb2445153 [0,1,0,0,0,0|1,2,0]=4 328 B11R1.25 C[C@@H](C=O)\C=C\c1ccco1 Amb27854650 [0,1,0,0,0,0|1,0,2]=4 329 B11R1.25 C[C@@H](CF)NCc1ccco1 Amb27986937 [0,1,0,0,0,0|2,0,1]=4 330 B11R1.25 C\C(CCc1ccco1)=N/O Amb19888637 [0,1,0,0,0,0|1,0,1]=3 331 B11R1.25 C\C(CCc1ccco1)=N\N Amb27840227 [0,1,0,0,0,0|2,0,0]=3 332 B11R1.25 N#CC(=O)\C=C\c1ccco1 Amb26627118 [0,1,0,0,0,0|1,0,2]=4 333 B11R1.25 NC(CO)CCc1ccco1 Amb18065439 [0,1,0,0,0,0|2,0,1]=4 334 B11R1.25 NCC(=O)CCc1cccs1 Amb18563911 [0,1,0,0,0,0|1,1,0]=3 335 B11R1.25 NCC(=O)CCc1ccns1 Amb33132629 [0,1,0,0,0,0|2,1,0]=4 336 B11R1.25 NCC(=O)CCc1ccsc1 Amb26651231 [0,1,0,0,0,0|3,0,0]=4 337 B11R1.25 NCC(=O)CCn1cccn1 Amb33224536 [0,1,0,0,0,0|3,0,0]=4 338 B11R1.25 NCC(=O)NCc1ccco1 Amb10609039 [0,1,0,0,0,0|1,0,0]=2 339 B11R1.25 NCC(=O)NCc1ccco1 Amb444976 [0,1,0,0,0,0|1,0,0]=2 340 B11R1.25 NCC(=O)NCc1cccs1 Amb5782413 [0,1,0,0,0,0|1,1,0]=3 341 B11R1.25 NCC(=O)NCc1ccns1 Amb18198581 [0,1,0,0,0,0|2,1,0]=4 342 B11R1.25 NCC(=O)NCc1ccoc1 Amb27470424 [0,1,0,0,0,0|3,0,0]=4 343 B11R1.25 NCC(=O)NCc1cnco1 Amb25935541 [0,1,0,0,0,0|2,0,0]=3 344 B11R1.25 NCC(=O)NCc1cncs1 Amb21862172 [0,1,0,0,0,0|2,1,0]=4 345 B11R1.25 NCC(=O)NCc1cscn1 Amb28061106 [0,1,0,0,0,0|3,0,0]=4 346 B11R1.25 NCC(=O)NCc1ncco1 Amb27437231 [0,1,0,0,0,0|2,0,0]=3 347 B11R1.25 NCC(=O)NCc1nccs1 Amb18974923 [0,1,0,0,0,0|2,1,0]=4 348 B11R1.25 NNC(=O)CCc1ccco1 Amb6744507 [0,1,0,0,0,0|2,0,0]=3 349 B11R1.25 NNC(=O)NCc1ccco1 Amb33552055 [0,1,0,0,0,0|2,0,0]=3 350 B11R1.25 NNC(=O)\C=C\c1ccco1 Amb27211757 [0,1,0,0,0,0|2,0,1]=4 351 B11R1.25 NNC(=S)NCc1ccco1 Amb1152490 [0,1,0,0,0,0|2,1,0]=4 352 B11R1.25 N\N=C(\N)NCc1ccco1 Amb25315878 [0,1,0,0,0,0|3,0,0]=4 353 B11R1.25 O=C(CBr)NCc1ccco1 Amb2221075 [0,1,0,0,0,0|1,0,0]=2 354 B11R1.25 O=C(CBr)NCc1cccs1 Amb2089070 [0,1,0,0,0,0|1,1,0]=3 355 B11R1.25 O=C(CBr)NCc1ccno1 Amb27855462 [0,1,0,0,0,0|2,0,0]=3 356 B11R1.25 O=C(CBr)NCc1ccns1 Amb35717041 [0,1,0,0,0,0|2,1,0]=4 357 B11R1.25 O=C(CBr)NCc1ccon1 Amb28241755 [0,1,0,0,0,0|3,0,0]=4 358 B11R1.25 O=C(CBr)NCc1ccsc1 Amb28423698 [0,1,0,0,0,0|3,0,0]=4 359 B11R1.25 O=C(CBr)NCc1nccs1 Amb17326612 [0,1,0,0,0,0|2,1,0]=4 360 B11R1.25 O=C(CCl)CCc1ccco1 Amb27672907 [0,1,0,0,0,0|1,0,0]=2 361 B11R1.25 O=C(CCl)CCc1cccs1 Amb17139224 [0,1,0,0,0,0|1,1,0]=3 362 B11R1.25 O=C(CCl)CCn1cccn1 Amb33223978 [0,1,0,0,0,0|3,0,0]=4 363 B11R1.25 O=C(CCl)NCc1ccco1 Amb6334831 [0,1,0,0,0,0|1,0,0]=2 364 B11R1.25 O=C(CCl)NCc1cccs1 Amb1149817 [0,1,0,0,0,0|1,1,0]=3 365 B11R1.25 O=C(CCl)NCc1ccns1 Amb35717040 [0,1,0,0,0,0|2,1,0]=4 366 B11R1.25 O=C(CCl)NCc1cocn1 Amb27973670 [0,1,0,0,0,0|3,0,0]=4 367 B11R1.25 O=C(CCl)OCc1ccsc1 Amb27990000 [0,1,0,0,0,0|2,0,0]=3 368 B11R1.25 O=C(CI)NCc1ccco1 Amb26943751 [0,1,0,0,0,0|1,0,0]=2 369 B11R1.25 O=C(CO)CCc1ccco1 Amb18065408 [0,1,0,0,0,0|1,0,0]=2 370 B11R1.25 O=C(CO)CCc1cccs1 Amb18563930 [0,1,0,0,0,0|1,1,0]=3 371 B11R1.25 O=C(CO)NCc1ccco1 Amb5798115 [0,1,0,0,0,0|1,0,0]=2 372 B11R1.25 O=C(CO)NCc1cccs1 Amb1110201 [0,1,0,0,0,0|1,1,0]=3 373 B11R1.25 O=C(CO)NCc1ccon1 Amb27479257 [0,1,0,0,0,0|3,0,0]=4 374 B11R1.25 O=C(CO)OCc1ccco1 Amb27988703 [0,1,0,0,0,0|0,0,0]=1 375 B11R1.25 O=C(CO)OCc1cccs1 Amb27988704 [0,1,0,0,0,0|0,1,0]=2 376 B11R1.25 O=C(CO)OCc1ccoc1 Amb27988705 [0,1,0,0,0,0|2,0,0]=3 377 B11R1.25 O=C(CO)OCc1ccsc1 Amb27988706 [0,1,0,0,0,0|2,0,0]=3 378 B11R1.25 O=C(CO)OCc1cncs1 Amb27988707 [0,1,0,0,0,0|1,1,0]=3 379 B11R1.25 O=C(CO)OCc1cnns1 Amb27988708 [0,1,0,0,0,0|2,1,0]=4 380 B11R1.25 O=C(CO)OCc1cscn1 Amb27988709 [0,1,0,0,0,0|2,0,0]=3 381 B11R1.25 O=C(CO)OCc1csnn1 Amb27988710 [0,1,0,0,0,0|3,0,0]=4 382 B11R1.25 O=C(CO)OCc1nccs1 Amb27988711 [0,1,0,0,0,0|1,1,0]=3 383 B11R1.25 O=C(CS)NCc1ccns1 Amb35717216 [0,1,0,0,0,0|2,1,0]=4 384 B11R1.25 O=C(CS)NCc1ccsc1 Amb27981247 [0,1,0,0,0,0|3,0,0]=4 385 B11R1.25 O=C(CS)NCc1cncs1 Amb27793944 [0,1,0,0,0,0|2,1,0]=4 386 B11R1.25 O=C(\C=C\c1ccco1)CCl Amb26476618 [0,1,0,0,0,0|1,0,1]=3 387 B11R1.25 O=C(\C=C\c1cccs1)CCl Amb28347537 [0,1,0,0,0,0|1,1,1]=4 388 B11R1.25 O=CC(=O)\C=C\c1ccco1 Amb26331989 [0,1,0,0,0,0|1,0,2]=4 389 B11R1.35 C=C(C)C(O)Cc1ccco1 Amb28207366 [0,1,0,0,0,0|2,0,0]=3 390 B11R1.35 C=C(Cc1ccco1)C(=O)O Amb27985009 [0,1,0,0,0,0|2,0,0]=3 391 B11R1.35 CC(=N)N(C)Cc1ccco1 Amb28288271 [0,1,0,0,0,0|2,0,0]=3 392 B11R1.35 CC(=O)C(=O)Cc1ccco1 Amb25177671 [0,1,0,0,0,0|1,0,0]=2 393 B11R1.35 CC(=O)C(=O)Cc1cccs1 Amb24456858 [0,1,0,0,0,0|1,1,0]=3 394 B11R1.35 CC(=O)C(C)Cc1ccco1 Amb17939894 [0,1,0,0,0,0|1,0,0]=2 395 B11R1.35 CC(=O)C(C)Cc1ccns1 Amb35649986 [0,1,0,0,0,0|2,1,0]=4 396 B11R1.35 CC(=O)C(C)Cc1cscn1 Amb27663866 [0,1,0,0,0,0|3,0,0]=4 397 B11R1.35 CC(=O)C(N)Cc1cncs1 Amb18198886 [0,1,0,0,0,0|2,1,0]=4 398 B11R1.35 CC(=O)N(C)Cc1ccco1 Amb8336371 [0,1,0,0,0,0|1,0,0]=2 399 B11R1.35 CC(=O)N(C)Cc1ccns1 Amb35716430 [0,1,0,0,0,0|2,1,0]=4 400 B11R1.35 CC(=O)N(C)Cc1ccsc1 Amb8337943 [0,1,0,0,0,0|3,0,0]=4 401 B11R1.35 CC(=O)N(C)Cc1cncs1 Amb27850732 [0,1,0,0,0,0|2,1,0]=4 402 B11R1.35 CC(=O)N(C)Cc1cscn1 Amb27255526 [0,1,0,0,0,0|3,0,0]=4 403 B11R1.35 CC(=O)\C(C)=C\c1ccco1 Amb33079023 [0,1,0,0,0,0|1,0,1]=3 404 B11R1.35 CC(C)C(Cl)Cc1ccco1 Amb27264336 [0,1,0,0,0,0|2,0,1]=4 405 B11R1.35 CC(C)C(O)Cc1ccco1 Amb28284899 [0,1,0,0,0,0|2,0,1]=4 406 B11R1.35 CC(Cc1ccco1)C(=O)O Amb33540750 [0,1,0,0,0,0|2,0,0]=3 407 B11R1.35 CC(Cc1cccs1)C(=O)Cl Amb5744094 [0,1,0,0,0,0|2,1,0]=4 408 B11R1.35 CC(Cc1cccs1)C(=O)O Amb5400513 [0,1,0,0,0,0|2,1,0]=4 409 B11R1.35 CC(Cc1cccs1)C(N)=O Amb27760469 [0,1,0,0,0,0|2,1,0]=4 410 B11R1.35 CC(Cc1cnco1)C(=O)O Amb33415283 [0,1,0,0,0,0|3,0,0]=4 411 B11R1.35 CC(N)C(=O)Cc1ccco1 Amb27391416 [0,1,0,0,0,0|2,0,1]=4 412 B11R1.35 CC(N)C(O)Cc1ccco1 Amb35588650 [0,1,0,0,0,0|2,0,1]=4 413 B11R1.35 CC(O)C(C)Cc1ccco1 Amb18787510 [0,1,0,0,0,0|1,0,2]=4 414 B11R1.35 CN(Cc1ccco1)C(=N)N Amb18181784 [0,1,0,0,0,0|3,0,0]=4 415 B11R1.35 CN(Cc1ccco1)C(=O)Cl Amb33296643 [0,1,0,0,0,0|2,0,0]=3 416 B11R1.35 CN(Cc1cccs1)C(N)=O Amb9251648 [0,1,0,0,0,0|2,1,0]=4 417 B11R1.35 CN(Cc1ccno1)C(=O)Cl Amb28321489 [0,1,0,0,0,0|3,0,0]=4 418 B11R1.35 C[C@@H](N)C(=O)Cc1ccco1 Amb30024814 [0,1,0,0,0,0|2,0,1]=4 419 B11R1.35 C[C@@H](N)C(O)Cc1ccco1 Amb30024565 [0,1,0,0,0,0|2,0,1]=4 420 B11R1.35 C[C@H](Cc1cccs1)C(=O)O Amb10844000 [0,1,0,0,0,0|2,1,0]=4 421 B11R1.35 C[C@H](N)C(=O)Cc1ccco1 Amb33131786 [0,1,0,0,0,0|2,0,1]=4 422 B11R1.35 C[C@H](N)C(O)Cc1ccco1 Amb35737797 [0,1,0,0,0,0|2,0,1]=4 423 B11R1.35 C\C(=C/c1ccco1)C(=O)O Amb5743924 [0,1,0,0,0,0|2,0,1]=4 424 B11R1.35 C\C(=C/c1ccco1)C(N)=O Amb27231811 [0,1,0,0,0,0|2,0,1]=4 425 B11R1.35 C\C(=C\c1ccco1)C(=O)O Amb4010273 [0,1,0,0,0,0|2,0,1]=4 426 B11R1.35 NC(=O)C(N)Cc1ccco1 Amb33066014 [0,1,0,0,0,0|2,0,0]=3 427 B11R1.35 NC(=O)C(N)Cc1cccs1 Amb24487730 [0,1,0,0,0,0|2,1,0]=4 428 B11R1.35 NC(Cc1ccco1)C(=O)O Amb9724188 [0,1,0,0,0,0|2,0,0]=3 429 B11R1.35 NC(Cc1cccs1)C(=O)O Amb9720695 [0,1,0,0,0,0|2,1,0]=4 430 B11R1.35 NC(Cc1ccno1)C(=O)O Amb25891427 [0,1,0,0,0,0|3,0,0]=4 431 B11R1.35 NC(Cc1ccno1)C(=O)O Amb28652917 [0,1,0,0,0,0|3,0,0]=4 432 B11R1.35 NC(Cc1cnco1)C(=O)O Amb33295162 [0,1,0,0,0,0|3,0,0]=4 433 B11R1.35 NC(Cc1ncco1)C(=O)O Amb18200255 [0,1,0,0,0,0|3,0,0]=4 434 B11R1.35 N[C@@H](Cc1ccco1)C(=O)O Amb10068214 [0,1,0,0,0,0|2,0,0]=3 435 B11R1.35 N[C@@H](Cc1ccco1)C(=O)O Amb31291682 [0,1,0,0,0,0|2,0,0]=3 436 B11R1.35 N[C@@H](Cc1cccs1)C(=O)O Amb10068210 [0,1,0,0,0,0|2,1,0]=4 437 B11R1.35 N[C@@H](Cc1cccs1)C(=O)O Amb22747410 [0,1,0,0,0,0|2,1,0]=4 438 B11R1.35 N[C@@H](Cc1ccno1)C(=O)O Amb25891409 [0,1,0,0,0,0|3,0,0]=4 439 B11R1.35 N[C@H](Cc1ccco1)C(=O)O Amb10068215 [0,1,0,0,0,0|2,0,0]=3 440 B11R1.35 N[C@H](Cc1cccs1)C(=O)O Amb10068211 [0,1,0,0,0,0|2,1,0]=4 441 B11R1.35 N\C(=C\c1ccco1)C(=O)O Amb27493744 [0,1,0,0,0,0|2,0,1]=4 442 B11R1.35 O=C(Cc1ccco1)C(O)=S Amb25871308 [0,1,0,0,0,0|2,0,1]=4 443 B11R1.35 O=C(O)C(=O)Cc1ccco1 Amb1137668 [0,1,0,0,0,0|2,0,0]=3 444 B11R1.35 O=C(O)C(=O)Cc1cccs1 Amb1135982 [0,1,0,0,0,0|2,1,0]=4 445 B11R1.35 O=C(O)C(=O)Cc1cnco1 Amb33415275 [0,1,0,0,0,0|3,0,0]=4 446 B11R1.35 O=C(O)C(=S)Cc1ccco1 Amb4026925 [0,1,0,0,0,0|2,0,0]=3 447 B11R1.35 O=C(O)C(O)Cc1ccco1 Amb17138461 [0,1,0,0,0,0|2,0,0]=3 448 B11R1.35 O=C(O)C(O)Cc1cccs1 Amb17138686 [0,1,0,0,0,0|2,1,0]=4 449 B11R1.35 O=C(O)C(O)Cc1cnco1 Amb33226476 [0,1,0,0,0,0|3,0,0]=4 450 B11R1.35 O=C(O)C(O)Cc1ncco1 Amb28369831 [0,1,0,0,0,0|3,0,0]=4 451 B11R1.35 O=C(O)[C@H](O)Cc1cccs1 Amb25962724 [0,1,0,0,0,0|2,1,0]=4 452 B11R1.35 O=C([O-])C(=O)Cc1cccs1 Amb33512939 [0,1,0,0,0,0|2,1,0]=4 453 B11R1.75 CC(=N)NCc1ccc(Cl)o1 Amb35635348 [0,1,0,0,0,0|2,0,0]=3 454 B11R1.75 CC(=N)NCc1cnc(C)o1 Amb27627868 [0,1,0,0,0,0|3,0,0]=4 455 B11R1.75 CC(=O)CCC1=CC(=O)NN1 Amb27225157 [0,1,0,0,0,0|3,0,0]=4 456 B11R1.75 CC(=O)CCC1=CC(=O)ON1 Amb27847260 [0,1,0,0,0,0|3,0,0]=4 457 B11R1.75 CC(=O)CCC1=CCC(=O)N1 Amb27849883 [0,1,0,0,0,0|2,0,1]=4 458 B11R1.75 CC(=O)CCc1cc(Br)co1 Amb33431947 [0,1,0,0,0,0|1,0,0]=2 459 B11R1.75 CC(=O)CCc1cc(Br)cs1 Amb24533193 [0,1,0,0,0,0|1,1,0]=3 460 B11R1.75 CC(=O)CCc1cc(C)cs1 Amb33373478 [0,1,0,0,0,0|1,1,0]=3 461 B11R1.75 CC(=O)CCc1cc(C)no1 Amb26445801 [0,1,0,0,0,0|2,0,0]=3 462 B11R1.75 CC(=O)CCc1cc(C)on1 Amb18201114 [0,1,0,0,0,0|3,0,0]=4 463 B11R1.75 CC(=O)CCc1cc(Cl)cs1 Amb33058561 [0,1,0,0,0,0|1,1,0]=3 464 B11R1.75 CC(=O)CCc1ccc(Br)o1 Amb25358774 [0,1,0,0,0,0|1,0,0]=2 465 B11R1.75 CC(=O)CCc1ccc(Br)s1 Amb9031566 [0,1,0,0,0,0|1,1,0]=3 466 B11R1.75 CC(=O)CCc1ccc(C)o1 Amb2794107 [0,1,0,0,0,0|1,0,0]=2 467 B11R1.75 CC(=O)CCc1ccc(C)s1 Amb27197401 [0,1,0,0,0,0|1,1,0]=3 468 B11R1.75 CC(=O)CCc1ccc(Cl)o1 Amb33258674 [0,1,0,0,0,0|1,0,0]=2 469 B11R1.75 CC(=O)CCc1ccc(Cl)s1 Amb9031565 [0,1,0,0,0,0|1,1,0]=3 470 B11R1.75 CC(=O)CCc1ccn(C)c1 Amb18224264 [0,1,0,0,0,0|3,0,0]=4 471 B11R1.75 CC(=O)CCc1ccn(C)n1 Amb18201311 [0,1,0,0,0,0|3,0,0]=4 472 B11R1.75 CC(=O)CCc1cn(C)cn1 Amb26328220 [0,1,0,0,0,0|3,0,0]=4 473 B11R1.75 CC(=O)CCc1cnc(C)s1 Amb25084411 [0,1,0,0,0,0|2,1,0]=4 474 B11R1.75 CC(=O)CCc1cnc(Cl)s1 Amb2436182 [0,1,0,0,0,0|2,1,0]=4 475 B11R1.75 CC(=O)CCc1cnc(N)s1 Amb33307917 [0,1,0,0,0,0|2,1,0]=4 476 B11R1.75 CC(=O)CCc1csc(Br)c1 Amb33263429 [0,1,0,0,0,0|3,0,0]=4 477 B11R1.75 CC(=O)CCc1csc(Br)n1 Amb33335510 [0,1,0,0,0,0|3,0,0]=4 478 B11R1.75 CC(=O)CCc1csc(C)n1 Amb18062040 [0,1,0,0,0,0|3,0,0]=4 479 B11R1.75 CC(=O)CCc1csc(Cl)c1 Amb24523155 [0,1,0,0,0,0|3,0,0]=4 480 B11R1.75 CC(=O)CCc1nc(C)cs1 Amb17334776 [0,1,0,0,0,0|2,1,0]=4 481 B11R1.75 CC(=O)CCc1nc(C)no1 Amb27226295 [0,1,0,0,0,0|3,0,0]=4 482 B11R1.75 CC(=O)CCc1ncc(Br)s1 Amb33434751 [0,1,0,0,0,0|2,1,0]=4 483 B11R1.75 CC(=O)CCc1ncc(C)o1 Amb18201112 [0,1,0,0,0,0|2,0,0]=3 484 B11R1.75 CC(=O)CCn1cc(C)cn1 Amb18179419 [0,1,0,0,0,0|3,0,0]=4 485 B11R1.75 CC(=O)CCn1cc(I)cn1 Amb27975572 [0,1,0,0,0,0|3,0,0]=4 486 B11R1.75 CC(=O)CCn1ccc(C)n1 Amb27830341 [0,1,0,0,0,0|3,0,0]=4 487 B11R1.75 CC(=O)NCc1cc(C)ns1 Amb35720557 [0,1,0,0,0,0|2,1,0]=4 488 B11R1.75 CC(=O)NCc1ccc(Br)s1 Amb14004357 [0,1,0,0,0,0|1,1,0]=3 489 B11R1.75 CC(=O)NCc1ccc(Cl)s1 Amb27762022 [0,1,0,0,0,0|1,1,0]=3 490 B11R1.75 CC(=O)NCc1csc(Br)c1 Amb27836393 [0,1,0,0,0,0|3,0,0]=4 491 B11R1.75 CC(=O)NCc1csc(N)n1 Amb32722653 [0,1,0,0,0,0|3,0,0]=4 492 B11R1.75 CC(=O)NCc1nc(C)cs1 Amb28201193 [0,1,0,0,0,0|2,1,0]=4 493 B11R1.75 CC(=O)NCc1ncc(C)o1 Amb28399080 [0,1,0,0,0,0|2,0,0]=3 494 B11R1.75 CC(=O)NCc1ncc(C)s1 Amb28041503 [0,1,0,0,0,0|2,1,0]=4 495 B11R1.75 CC(=O)NCc1nnc(C)o1 Amb25796824 [0,1,0,0,0,0|3,0,0]=4 496 B11R1.75 CC(=O)NCc1nnc(N)o1 Amb25685328 [0,1,0,0,0,0|3,0,0]=4 497 B11R1.75 CC(=O)NCc1nnc(S)o1 Amb27853680 [0,1,0,0,0,0|3,0,0]=4 498 B11R1.75 CC(=O)OCC1C=CC(O)C1 Amb27604451 [0,1,0,0,0,0|1,0,2]=4 499 B11R1.75 CC(=O)OCC1CNC(=O)O1 Amb28122349 [0,1,0,0,0,0|1,0,2]=4 500 B11R1.75 CC(=O)OC[C@@H]1C=C[C@@H](O)C1 Amb28321370 [0,1,0,0,0,0|1,0,2]=4 501 B11R1.75 CC(=O)OCc1cc(C)co1 Amb28410173 [0,1,0,0,0,0|0,0,0]=1 502 B11R1.75 CC(=O)OCc1cc(C)no1 Amb26470976 [0,1,0,0,0,0|1,0,0]=2 503 B11R1.75 CC(=O)OCc1cc(C)ns1 Amb28284831 [0,1,0,0,0,0|1,1,0]=3 504 B11R1.75 CC(=O)OCc1ccc(Br)o1 Amb25868496 [0,1,0,0,0,0|0,0,0]=1 505 B11R1.75 CC(=O)OCc1ccc(Br)s1 Amb27176739 [0,1,0,0,0,0|0,1,0]=2 506 B11R1.75 CC(=O)OCc1ccc(Cl)o1 Amb27868505 [0,1,0,0,0,0|0,0,0]=1 507 B11R1.75 CC(=O)OCc1ccc(Cl)s1 Amb27427109 [0,1,0,0,0,0|0,1,0]=2 508 B11R1.75 CC(=O)OCc1cn(C)nn1 Amb27176855 [0,1,0,0,0,0|3,0,0]=4 509 B11R1.75 CC(=O)OCc1cnc(C)s1 Amb27809947 [0,1,0,0,0,0|1,1,0]=3 510 B11R1.75 CC(=O)OCc1cnc(Cl)s1 Amb2435207 [0,1,0,0,0,0|1,1,0]=3 511 B11R1.75 CC(=O)OCc1cnn(C)c1 Amb13952185 [0,1,0,0,0,0|3,0,0]=4 512 B11R1.75 CC(=O)OCc1cnn(C)n1 Amb27809981 [0,1,0,0,0,0|3,0,0]=4 513 B11R1.75 CC(=O)OCc1csc(C)c1 Amb27829622 [0,1,0,0,0,0|2,0,0]=3 514 B11R1.75 CC(=O)OCc1csc(C)n1 Amb22749065 [0,1,0,0,0,0|2,0,0]=3 515 B11R1.75 CC(=O)OCc1csc(Cl)n1 Amb27979274 [0,1,0,0,0,0|2,0,0]=3 516 B11R1.75 CC(=O)OCc1nc(C)no1 Amb19651315 [0,1,0,0,0,0|2,0,0]=3 517 B11R1.75 CC(=O)OCc1ncc(C)o1 Amb22284643 [0,1,0,0,0,0|1,0,0]=2 518 B11R1.75 CC(=O)OCc1ncc(C)s1 Amb27840372 [0,1,0,0,0,0|1,1,0]=3 519 B11R1.75 CC(=O)OCc1ncc(Cl)s1 Amb27176856 [0,1,0,0,0,0|1,1,0]=3 520 B11R1.75 CC(=O)OCc1nnc(C)o1 Amb13952452 [0,1,0,0,0,0|2,0,0]=3 521 B11R1.75 CC(=O)OCc1noc(C)n1 Amb27981362 [0,1,0,0,0,0|3,0,0]=4 522 B11R1.75 CC(=O)SCC1=CNC(=O)N1 Amb27401201 [0,1,0,0,0,0|2,1,0]=4 523 B11R1.75 CC(=O)SCc1cc(Br)cs1 Amb13890443 [0,1,0,0,0,0|0,2,0]=3 524 B11R1.75 CC(=O)SCc1ccc(C)o1 Amb27794255 [0,1,0,0,0,0|0,1,0]=2 525 B11R1.75 CC(=O)\C=C\c1cc(Br)co1 Amb33431943 [0,1,0,0,0,0|1,0,1]=3 526 B11R1.75 CC(=O)\C=C\c1cc(Br)cs1 Amb28322767 [0,1,0,0,0,0|1,1,1]=4 527 B11R1.75 CC(=O)\C=C\c1cc(C)cs1 Amb33373479 [0,1,0,0,0,0|1,1,1]=4 528 B11R1.75 CC(=O)\C=C\c1cc(C)no1 Amb26021563 [0,1,0,0,0,0|2,0,1]=4 529 B11R1.75 CC(=O)\C=C\c1cc(Cl)cs1 Amb33220768 [0,1,0,0,0,0|1,1,1]=4 530 B11R1.75 CC(=O)\C=C\c1ccc(Br)o1 Amb33241034 [0,1,0,0,0,0|1,0,1]=3 531 B11R1.75 CC(=O)\C=C\c1ccc(Br)s1 Amb33451169 [0,1,0,0,0,0|1,1,1]=4 532 B11R1.75 CC(=O)\C=C\c1ccc(C)o1 Amb3484427 [0,1,0,0,0,0|1,0,1]=3 533 B11R1.75 CC(=O)\C=C\c1ccc(C)s1 Amb33171945 [0,1,0,0,0,0|1,1,1]=4 534 B11R1.75 CC(=O)\C=C\c1ccc(Cl)o1 Amb33052107 [0,1,0,0,0,0|1,0,1]=3 535 B11R1.75 CC(=O)\C=C\c1ccc(Cl)s1 Amb33406786 [0,1,0,0,0,0|1,1,1]=4 536 B11R1.75 CC(=S)OCc1cc(C)co1 Amb25121246 [0,1,0,0,0,0|0,1,0]=2 537 B11R1.75 CC(=S)OCc1ccc(C)o1 Amb27653395 [0,1,0,0,0,0|0,1,0]=2 538 B11R1.75 CC(C)NCc1ccc(Br)o1 Amb6685405 [0,1,0,0,0,0|2,0,1]=4 539 B11R1.75 CC(C)NCc1ccc(Cl)o1 Amb18969165 [0,1,0,0,0,0|2,0,1]=4 540 B11R1.75 CC(C)OCc1cc(N)no1 Amb33273796 [0,1,0,0,0,0|2,0,1]=4 541 B11R1.75 CC(C)OCc1ccc(Br)o1 Amb27843346 [0,1,0,0,0,0|1,0,1]=3 542 B11R1.75 CC(C)OCc1cnc(N)o1 Amb33273794 [0,1,0,0,0,0|2,0,1]=4 543 B11R1.75 CC(N)CCc1cc(Br)co1 Amb33431586 [0,1,0,0,0,0|2,0,1]=4 544 B11R1.75 CC(N)CCc1ccc(Br)o1 Amb24619887 [0,1,0,0,0,0|2,0,1]=4 545 B11R1.75 CC(N)CCc1ccc(Cl)o1 Amb33258346 [0,1,0,0,0,0|2,0,1]=4 546 B11R1.75 CC(O)CCc1cc(Br)co1 Amb33431588 [0,1,0,0,0,0|1,0,2]=4 547 B11R1.75 CC(O)CCc1ccc(Br)o1 Amb25094102 [0,1,0,0,0,0|1,0,2]=4 548 B11R1.75 CC(O)CCc1ccc(Cl)o1 Amb33258353 [0,1,0,0,0,0|1,0,2]=4 549 B11R1.75 CN(C)NCc1ccc(Cl)o1 Amb27477558 [0,1,0,0,0,0|3,0,0]=4 550 B11R1.75 CN(C)NCc1ccc(I)o1 Amb28281349 [0,1,0,0,0,0|3,0,0]=4 551 B11R1.75 CS(=O)NCc1ccc(Br)o1 Amb28062755 [0,1,0,0,0,0|2,0,0]=3 552 B11R1.75 CS(=O)\N=C\c1ccc(Br)o1 Amb35718872 [0,1,0,0,0,0|2,0,1]=4 553 B11R1.75 CS(=O)\N=C\c1ccc(Cl)o1 Amb35718873 [0,1,0,0,0,0|2,0,1]=4 554 B11R1.75 C[C@@H](N)CCc1cc(Br)co1 Amb33431594 [0,1,0,0,0,0|2,0,1]=4 555 B11R1.75 C[C@@H](N)CCc1ccc(Br)o1 Amb33452189 [0,1,0,0,0,0|2,0,1]=4 556 B11R1.75 C[C@@H](N)CCc1ccc(Cl)o1 Amb33258610 [0,1,0,0,0,0|2,0,1]=4 557 B11R1.75 C[C@@H](O)CCc1cc(Br)co1 Amb33431592 [0,1,0,0,0,0|1,0,2]=4 558 B11R1.75 C[C@@H](O)CCc1ccc(Br)o1 Amb33452192 [0,1,0,0,0,0|1,0,2]=4 559 B11R1.75 C[C@@H](O)CCc1ccc(Cl)o1 Amb33258360 [0,1,0,0,0,0|1,0,2]=4 560 B11R1.75 C[C@H](N)CCc1cc(Br)co1 Amb33431858 [0,1,0,0,0,0|2,0,1]=4 561 B11R1.75 C[C@H](N)CCc1ccc(Br)o1 Amb33452190 [0,1,0,0,0,0|2,0,1]=4 562 B11R1.75 C[C@H](N)CCc1ccc(Cl)o1 Amb33258615 [0,1,0,0,0,0|2,0,1]=4 563 B11R1.75 C[C@H](O)CCc1cc(Br)co1 Amb33431590 [0,1,0,0,0,0|1,0,2]=4 564 B11R1.75 C[C@H](O)CCc1ccc(Br)o1 Amb33452191 [0,1,0,0,0,0|1,0,2]=4 565 B11R1.75 C[C@H](O)CCc1ccc(Cl)o1 Amb33258357 [0,1,0,0,0,0|1,0,2]=4 566 B11R1.75 C\C(N)=N\Cc1ccc(Cl)o1 Amb27178751 [0,1,0,0,0,0|2,0,0]=3 567 B11R1.75 Cc1cc(CCC(=O)O)on1 Amb18200535 [0,1,0,0,0,0|3,0,0]=4 568 B11R1.75 Cc1cc(COC(=O)Cl)no1 Amb33297122 [0,1,0,0,0,0|3,0,0]=4 569 B11R1.75 Cc1cc(COC(=O)Cl)on1 Amb33297351 [0,1,0,0,0,0|2,0,0]=3 570 B11R1.75 Cc1ccc(C#CC(=O)O)o1 Amb25361971 [0,1,0,0,0,0|2,0,1]=4 571 B11R1.75 Cc1ccc(CCC(=O)O)o1 Amb6336472 [0,1,0,0,0,0|2,0,0]=3 572 B11R1.75 Cc1ccc(CCC(=O)O)s1 Amb33528678 [0,1,0,0,0,0|2,1,0]=4 573 B11R1.75 Cc1ccc(CCC(C)N)o1 Amb18644581 [0,1,0,0,0,0|2,0,1]=4 574 B11R1.75 Cc1ccc(CCC(C)O)o1 Amb28322235 [0,1,0,0,0,0|1,0,2]=4 575 B11R1.75 Cc1ccc(CCC(N)=O)o1 Amb4055592 [0,1,0,0,0,0|2,0,0]=3 576 B11R1.75 Cc1ccc(CC[C@@H](C)N)o1 Amb33374496 [0,1,0,0,0,0|2,0,1]=4 577 B11R1.75 Cc1ccc(CC[C@@H](C)O)o1 Amb33317926 [0,1,0,0,0,0|1,0,2]=4 578 B11R1.75 Cc1ccc(CC[C@H](C)N)o1 Amb33374495 [0,1,0,0,0,0|2,0,1]=4 579 B11R1.75 Cc1ccc(CC[C@H](C)O)o1 Amb33317927 [0,1,0,0,0,0|1,0,2]=4 580 B11R1.75 Cc1ccc(CC[N+](=O)[O-])o1 Amb28196482 [0,1,0,0,0,0|3,0,0]=4 581 B11R1.75 Cc1ccc(CNC(=N)N)o1 Amb18799456 [0,1,0,0,0,0|3,0,0]=4 582 B11R1.75 Cc1ccc(CNC(=N)N)o1 Amb22828138 [0,1,0,0,0,0|3,0,0]=4 583 B11R1.75 Cc1ccc(CNC(=O)Cl)o1 Amb35625549 [0,1,0,0,0,0|2,0,0]=3 584 B11R1.75 Cc1ccc(CNC(=O)Cl)s1 Amb35625648 [0,1,0,0,0,0|2,1,0]=4 585 B11R1.75 Cc1ccc(CNC(C)C)o1 Amb10609352 [0,1,0,0,0,0|2,0,1]=4 586 B11R1.75 Cc1ccc(CNC(C)C)o1 Amb2693199 [0,1,0,0,0,0|2,0,1]=4 587 B11R1.75 Cc1ccc(CNC(N)=O)s1 Amb18183591 [0,1,0,0,0,0|2,1,0]=4 588 B11R1.75 Cc1ccc(OCC(=O)O)o1 Amb33317586 [0,1,0,0,0,0|3,0,0]=4 589 B11R1.75 Cc1ccc(SCC(N)=O)o1 Amb28385570 [0,1,0,0,0,0|3,0,0]=4 590 B11R1.75 Cc1ccc(\C=C\C(=O)Cl)o1 Amb16230249 [0,1,0,0,0,0|2,0,1]=4 591 B11R1.75 Cc1ccc(\C=C\C(=O)O)o1 Amb34915176 [0,1,0,0,0,0|2,0,1]=4 592 B11R1.75 Cc1ccc(\C=C\C(N)=O)o1 Amb6514414 [0,1,0,0,0,0|2,0,1]=4 593 B11R1.75 Cc1ccc(\C=N\S(C)=O)o1 Amb35681718 [0,1,0,0,0,0|2,0,1]=4 594 B11R1.75 Cc1cnc(CCC(=O)O)o1 Amb17087659 [0,1,0,0,0,0|3,0,0]=4 595 B11R1.75 Cc1coc(CCC(=O)O)n1 Amb18200527 [0,1,0,0,0,0|3,0,0]=4 596 B11R1.75 Cc1coc(\C=C\C(=O)O)c1 Amb25958503 [0,1,0,0,0,0|2,0,1]=4 597 B11R1.75 Cc1csc(CCC(=O)O)c1 Amb22886570 [0,1,0,0,0,0|2,1,0]=4 598 B11R1.75 Cc1csc(CNC(=O)Cl)c1 Amb35633222 [0,1,0,0,0,0|2,1,0]=4 599 B11R1.75 Cc1ncc(CCC(=O)O)o1 Amb18830921 [0,1,0,0,0,0|3,0,0]=4 600 B11R1.75 Cc1ncc(COC(=O)Cl)s1 Amb33296805 [0,1,0,0,0,0|2,1,0]=4 601 B11R1.75 Cn1ccc(COC(=O)Cl)n1 Amb33296815 [0,1,0,0,0,0|3,0,0]=4 602 B11R1.75 Cn1cnc(COC(=O)Cl)c1 Amb33297125 [0,1,0,0,0,0|3,0,0]=4 603 B11R1.75 N=C(N)NCc1ccc(Cl)o1 Amb25279632 [0,1,0,0,0,0|3,0,0]=4 604 B11R1.75 N=C(N)NCc1ccc(Cl)o1 Amb35638794 [0,1,0,0,0,0|3,0,0]=4 605 B11R1.75 N=C(N)SCc1ccc(Br)o1 Amb27979756 [0,1,0,0,0,0|2,1,0]=4 606 B11R1.75 NC(=O)CCc1cc(Br)no1 Amb19650950 [0,1,0,0,0,0|3,0,0]=4 607 B11R1.75 NC(=O)CCc1cc(Cl)no1 Amb19134366 [0,1,0,0,0,0|3,0,0]=4 608 B11R1.75 NC(=O)CCc1ccc(Cl)s1 Amb20638603 [0,1,0,0,0,0|2,1,0]=4 609 B11R1.75 NC(=O)NCc1cc(Br)cs1 Amb26924539 [0,1,0,0,0,0|2,1,0]=4 610 B11R1.75 NC(=O)NCc1ccc(Br)o1 Amb28125378 [0,1,0,0,0,0|2,0,0]=3 611 B11R1.75 NC(=O)NCc1ccc(Br)s1 Amb25333063 [0,1,0,0,0,0|2,1,0]=4 612 B11R1.75 NC(=O)NCc1ccc(Cl)s1 Amb26633464 [0,1,0,0,0,0|2,1,0]=4 613 B11R1.75 NC(=S)NCc1ccc(Br)o1 Amb27973930 [0,1,0,0,0,0|2,1,0]=4 614 B11R1.75 NC(=S)NCc1ccc(Cl)o1 Amb35654787 [0,1,0,0,0,0|2,1,0]=4 615 B11R1.75 Nc1ccc(CCC(=O)O)s1 Amb18825427 [0,1,0,0,0,0|2,1,0]=4 616 B11R1.75 O=C(Cl)CCc1ccc(Cl)s1 Amb26008268 [0,1,0,0,0,0|2,1,0]=4 617 B11R1.75 O=C(Cl)NCc1cc(Br)cs1 Amb35625771 [0,1,0,0,0,0|2,1,0]=4 618 B11R1.75 O=C(Cl)NCc1ccc(Br)o1 Amb35633454 [0,1,0,0,0,0|2,0,0]=3 619 B11R1.75 O=C(Cl)NCc1ccc(Br)s1 Amb35625810 [0,1,0,0,0,0|2,1,0]=4 620 B11R1.75 O=C(Cl)NCc1ccc(Cl)o1 Amb35625508 [0,1,0,0,0,0|2,0,0]=3 621 B11R1.75 O=C(Cl)NCc1ccc(Cl)s1 Amb35625880 [0,1,0,0,0,0|2,1,0]=4 622 B11R1.75 O=C(Cl)OCc1ccc(Cl)s1 Amb33297089 [0,1,0,0,0,0|1,1,0]=3 623 B11R1.75 O=C(Cl)OCc1cnc(Br)s1 Amb33297399 [0,1,0,0,0,0|2,1,0]=4 624 B11R1.75 O=C(O)C#Cc1ccc(Br)o1 Amb27466662 [0,1,0,0,0,0|2,0,1]=4 625 B11R1.75 O=C(O)CCC1=CC(=O)NO1 Amb18830676 [0,1,0,0,0,0|3,0,0]=4 626 B11R1.75 O=C(O)CCc1cc(Br)co1 Amb33332934 [0,1,0,0,0,0|2,0,0]=3 627 B11R1.75 O=C(O)CCc1cc(Br)cs1 Amb8834285 [0,1,0,0,0,0|2,1,0]=4 628 B11R1.75 O=C(O)CCc1cc(Br)no1 Amb16186748 [0,1,0,0,0,0|3,0,0]=4 629 B11R1.75 O=C(O)CCc1cc(Cl)cs1 Amb19374564 [0,1,0,0,0,0|2,1,0]=4 630 B11R1.75 O=C(O)CCc1cc(Cl)no1 Amb1063482 [0,1,0,0,0,0|3,0,0]=4 631 B11R1.75 O=C(O)CCc1cc(O)no1 Amb535160 [0,1,0,0,0,0|3,0,0]=4 632 B11R1.75 O=C(O)CCc1ccc(Br)o1 Amb9175389 [0,1,0,0,0,0|2,0,0]=3 633 B11R1.75 O=C(O)CCc1ccc(Br)s1 Amb33528679 [0,1,0,0,0,0|2,1,0]=4 634 B11R1.75 O=C(O)CCc1ccc(Cl)o1 Amb27235080 [0,1,0,0,0,0|2,0,0]=3 635 B11R1.75 O=C(O)CCc1ccc(Cl)s1 Amb3934543 [0,1,0,0,0,0|2,1,0]=4 636 B11R1.75 O=C(O)CCc1ccc(F)o1 Amb27428994 [0,1,0,0,0,0|2,0,0]=3 637 B11R1.75 O=C(O)CCc1ccc(F)s1 Amb28132897 [0,1,0,0,0,0|2,1,0]=4 638 B11R1.75 O=C(O)COc1cc(Br)co1 Amb33383653 [0,1,0,0,0,0|3,0,0]=4 639 B11R1.75 O=C(O)COc1ccc(Br)o1 Amb33452237 [0,1,0,0,0,0|3,0,0]=4 640 B11R1.75 O=C(O)COc1ccc(Cl)o1 Amb33259048 [0,1,0,0,0,0|3,0,0]=4 641 B11R1.75 O=C(O)\C=C\c1cc(Br)co1 Amb33451300 [0,1,0,0,0,0|2,0,1]=4 642 B11R1.75 O=C(O)\C=C\c1ccc(Br)o1 Amb1102780 [0,1,0,0,0,0|2,0,1]=4 643 B11R1.75 O=C(O)\C=C\c1ccc(Cl)o1 Amb1107531 [0,1,0,0,0,0|2,0,1]=4 644 B11R1.75 O=C(O)\C=C\c1ccc(F)o1 Amb26070880 [0,1,0,0,0,0|2,0,1]=4 645 B11R1.75 O=C(O)\C=C\c1ccc(I)o1 Amb33578339 [0,1,0,0,0,0|2,0,1]=4 646 B11R1.75 O=[N+]([O-])CCc1cc(Br)co1 Amb33431902 [0,1,0,0,0,0|3,0,0]=4 647 B11R1.75 O=[N+]([O-])CCc1ccc(Br)o1 Amb33456697 [0,1,0,0,0,0|3,0,0]=4 648 B11R1.75 O=[N+]([O-])CCc1ccc(Cl)o1 Amb33456698 [0,1,0,0,0,0|3,0,0]=4 649 B11R1.77 C=C(C)CC(=O)c1ccco1 Amb18065315 [0,1,0,0,0,0|2,0,1]=4 650 B11R1.77 C=C(C)CC(O)c1ccco1 Amb28383642 [0,1,0,0,0,0|2,0,0]=3 651 B11R1.77 C=C(C)CC(O)c1cccs1 Amb27647473 [0,1,0,0,0,0|2,1,0]=4 652 B11R1.77 C=C(C)C[C@@H](N)c1cccs1 Amb27439974 [0,1,0,0,0,0|2,1,0]=4 653 B11R1.77 C=C(F)CC(O)c1ccco1 Amb27842067 [0,1,0,0,0,0|2,0,1]=4 654 B11R1.77 CC(=O)CC(=O)c1ccco1 Amb6298873 [0,1,0,0,0,0|1,0,1]=3 655 B11R1.77 CC(=O)CC(=O)c1cccs1 Amb6752515 [0,1,0,0,0,0|1,1,1]=4 656 B11R1.77 CC(=O)CC(C)c1cccs1 Amb5740066 [0,1,0,0,0,0|1,1,0]=3 657 B11R1.77 CC(=O)CC(C)c1ccns1 Amb27811393 [0,1,0,0,0,0|2,1,0]=4 658 B11R1.77 CC(=O)CC(C)c1ccsn1 Amb28054579 [0,1,0,0,0,0|3,0,0]=4 659 B11R1.77 CC(=O)CC(C)c1cncs1 Amb35612878 [0,1,0,0,0,0|2,1,0]=4 660 B11R1.77 CC(=O)CC(N)c1ccoc1 Amb27804016 [0,1,0,0,0,0|3,0,0]=4 661 B11R1.77 CC(=O)CC(O)c1ccco1 Amb26055659 [0,1,0,0,0,0|1,0,0]=2 662 B11R1.77 CC(=O)CC(O)c1ccoc1 Amb27762505 [0,1,0,0,0,0|3,0,0]=4 663 B11R1.77 CC(=O)C[C@H](C)c1cccs1 Amb27948566 [0,1,0,0,0,0|1,1,0]=3 664 B11R1.77 CC(=O)C[C@H](O)c1ccsc1 Amb27226997 [0,1,0,0,0,0|3,0,0]=4 665 B11R1.77 CC(=O)NC(C)c1cccs1 Amb4552225 [0,1,0,0,0,0|1,1,0]=3 666 B11R1.77 CC(=O)NC(C)c1cscn1 Amb35612292 [0,1,0,0,0,0|3,0,0]=4 667 B11R1.77 CC(=O)N[C@@H](C)c1ccsc1 Amb28365530 [0,1,0,0,0,0|3,0,0]=4 668 B11R1.77 CC(=O)N[C@H](C)c1ccco1 Amb27834225 [0,1,0,0,0,0|1,0,0]=2 669 B11R1.77 CC(=O)OC(C)c1cccs1 Amb25667972 [0,1,0,0,0,0|0,1,0]=2 670 B11R1.77 CC(=O)OC(C)n1ccnc1 Amb25145933 [0,1,0,0,0,0|3,0,0]=4 671 B11R1.77 CC(=O)O[C@H](C)c1ccco1 Amb8515980 [0,1,0,0,0,0|0,0,0]=1 672 B11R1.77 CC(=O)O[C@H](C)c1nccs1 Amb27485642 [0,1,0,0,0,0|1,1,0]=3 673 B11R1.77 CC(=O)\C=C(/C)c1cccs1 Amb27227102 [0,1,0,0,0,0|1,1,1]=4 674 B11R1.77 CC(=O)\C=C(/N)c1cccs1 Amb27823651 [0,1,0,0,0,0|1,1,1]=4 675 B11R1.77 CC(=O)\C=C(\N)c1ccco1 Amb27251384 [0,1,0,0,0,0|1,0,1]=3 676 B11R1.77 CC(=S)\C=C(\N)c1ccco1 Amb27398070 [0,1,0,0,0,0|1,1,1]=4 677 B11R1.77 CC(Br)CC(C)c1ccco1 Amb27805458 [0,1,0,0,0,0|2,0,1]=4 678 B11R1.77 CC(C)=CC(O)c1cccs1 Amb27776395 [0,1,0,0,0,0|2,1,0]=4 679 B11R1.77 CC(C)CC(Cl)c1ccco1 Amb27982245 [0,1,0,0,0,0|2,0,1]=4 680 B11R1.77 CC(C)CC(N)c1ccco1 Amb18981697 [0,1,0,0,0,0|2,0,1]=4 681 B11R1.77 CC(C)CC(N)c1ccco1 Amb35745561 [0,1,0,0,0,0|2,0,1]=4 682 B11R1.77 CC(C)CC(O)c1ccco1 Amb17232133 [0,1,0,0,0,0|2,0,1]=4 683 B11R1.77 CC(C)C[C@H](N)c1ccco1 Amb28066246 [0,1,0,0,0,0|2,0,1]=4 684 B11R1.77 CC(C)C[C@H](O)c1ccco1 Amb27981561 [0,1,0,0,0,0|2,0,1]=4 685 B11R1.77 CC(C)OC(=O)c1ccco1 Amb10572174 [0,1,0,0,0,0|1,0,2]=4 686 B11R1.77 CC(CC(=O)Cl)c1cccs1 Amb5738838 [0,1,0,0,0,0|2,1,0]=4 687 B11R1.77 CC(CC(=O)O)c1ccco1 Amb33533316 [0,1,0,0,0,0|2,0,0]=3 688 B11R1.77 CC(CC(=O)O)c1cccs1 Amb5738626 [0,1,0,0,0,0|2,1,0]=4 689 B11R1.77 CC(CC(=O)O)c1cnco1 Amb33415284 [0,1,0,0,0,0|3,0,0]=4 690 B11R1.77 CC(CC(N)=O)c1cccs1 Amb17232718 [0,1,0,0,0,0|2,1,0]=4 691 B11R1.77 CC(Cl)OC(=O)c1ccco1 Amb27478035 [0,1,0,0,0,0|1,0,2]=4 692 B11R1.77 CC(N)CC(O)c1ccco1 Amb20668953 [0,1,0,0,0,0|2,0,1]=4 693 B11R1.77 CC(NC(=O)Cl)c1ccco1 Amb35625513 [0,1,0,0,0,0|2,0,0]=3 694 B11R1.77 CC(NC(=O)Cl)c1cccs1 Amb35614182 [0,1,0,0,0,0|2,1,0]=4 695 B11R1.77 CC(NC(N)=O)c1cccs1 Amb9257663 [0,1,0,0,0,0|2,1,0]=4 696 B11R1.77 CC(NN(C)C)c1ccco1 Amb27207977 [0,1,0,0,0,0|3,0,0]=4 697 B11R1.77 CC(O)CC(O)c1ccco1 Amb27255195 [0,1,0,0,0,0|1,0,2]=4 698 B11R1.77 CC(OC(=O)Cl)c1cccs1 Amb33297076 [0,1,0,0,0,0|1,1,0]=3 699 B11R1.77 CN(C)CC(N)c1ccco1 Amb1125377 [0,1,0,0,0,0|3,0,0]=4 700 B11R1.77 CN(C)CC(N)c1ccco1 Amb33528949 [0,1,0,0,0,0|3,0,0]=4 701 B11R1.77 CN(C)CC(O)c1ccco1 Amb17104280 [0,1,0,0,0,0|3,0,0]=4 702 B11R1.77 CN(C)C[C@@H](O)c1ccco1 Amb27588986 [0,1,0,0,0,0|3,0,0]=4 703 B11R1.77 CN(C)C[C@H](O)c1ccco1 Amb27853194 [0,1,0,0,0,0|3,0,0]=4 704 B11R1.77 CS(=O)CC(O)c1cccs1 Amb27480744 [0,1,0,0,0,0|2,1,0]=4 705 B11R1.77 C[C@H](O)C[C@H](O)c1ccco1 Amb27764937 [0,1,0,0,0,0|1,0,2]=4 706 B11R1.77 C\C(=C/C(=O)O)c1ccco1 Amb6749111 [0,1,0,0,0,0|2,0,1]=4 707 B11R1.77 C\C(=C\C(=O)O)c1ccco1 Amb24668653 [0,1,0,0,0,0|2,0,1]=4 708 B11R1.77 C\C(=N\S(C)=O)c1ccco1 Amb29858771 [0,1,0,0,0,0|2,0,1]=4 709 B11R1.77 NC(=O)CC(N)c1ccco1 Amb7800615 [0,1,0,0,0,0|2,0,0]=3 710 B11R1.77 NC(=O)CC(N)c1cccs1 Amb7800598 [0,1,0,0,0,0|2,1,0]=4 711 B11R1.77 NC(=O)C[C@@H](N)c1ccco1 Amb18179504 [0,1,0,0,0,0|2,0,0]=3 712 B11R1.77 NC(=O)C[C@@H](N)c1cccs1 Amb18180267 [0,1,0,0,0,0|2,1,0]=4 713 B11R1.77 NC(=O)C[C@H](N)c1ccco1 Amb25702198 [0,1,0,0,0,0|2,0,0]=3 714 B11R1.77 NC(=O)C[C@H](N)c1cccs1 Amb25991260 [0,1,0,0,0,0|2,1,0]=4 715 B11R1.77 NC(=O)\C=C(/O)c1ccco1 Amb27441744 [0,1,0,0,0,0|2,0,1]=4 716 B11R1.77 NC(CC(=O)O)c1ccco1 Amb2583027 [0,1,0,0,0,0|2,0,0]=3 717 B11R1.77 NC(CC(=O)O)c1ccco1 Amb33295176 [0,1,0,0,0,0|2,0,0]=3 718 B11R1.77 NC(CC(=O)O)c1cccs1 Amb9730102 [0,1,0,0,0,0|2,1,0]=4 719 B11R1.77 NC(CC(=O)O)c1cnco1 Amb33226498 [0,1,0,0,0,0|3,0,0]=4 720 B11R1.77 N[C@@H](CC(=O)O)c1ccco1 Amb18179572 [0,1,0,0,0,0|2,0,0]=3 721 B11R1.77 N[C@@H](CC(=O)O)c1cccs1 Amb18180320 [0,1,0,0,0,0|2,1,0]=4 722 B11R1.77 N[C@H](CC(=O)O)c1ccco1 Amb25319193 [0,1,0,0,0,0|2,0,0]=3 723 B11R1.77 N[C@H](CC(=O)O)c1cccs1 Amb26888722 [0,1,0,0,0,0|2,1,0]=4 724 B11R1.77 O=C(O)CC(=O)c1ccco1 Amb18125632 [0,1,0,0,0,0|2,0,1]=4 725 B11R1.77 O=C(O)CC(O)c1ccco1 Amb17232169 [0,1,0,0,0,0|2,0,0]=3 726 B11R1.77 O=C(O)CC(O)c1cccs1 Amb17232866 [0,1,0,0,0,0|2,1,0]=4 727 B11R1.77 O=C(O)CC(O)c1cnco1 Amb18200045 [0,1,0,0,0,0|3,0,0]=4 728 B11R1.77 O=C(O)C[C@@H](O)c1ccco1 Amb33360966 [0,1,0,0,0,0|2,0,0]=3 729 B11R1.77 O=C(O)C[C@@H](O)c1cccs1 Amb33360892 [0,1,0,0,0,0|2,1,0]=4 730 B11R1.77 O=C(O)C[C@@H](O)c1cnco1 Amb33414844 [0,1,0,0,0,0|3,0,0]=4 731 B11R1.77 O=C(O)C[C@H](O)c1ccco1 Amb33360969 [0,1,0,0,0,0|2,0,0]=3 732 B11R1.77 O=C(O)C[C@H](O)c1cccs1 Amb33360894 [0,1,0,0,0,0|2,1,0]=4 733 B11R1.77 O=C(O)C[C@H](O)c1cnco1 Amb33414846 [0,1,0,0,0,0|3,0,0]=4 734 B11R1.77 O=[N+]([O-])CC(O)c1ccco1 Amb2701915 [0,1,0,0,0,0|3,0,0]=4 735 B11R1.90 CC(=N)NCc1occc1C Amb27840027 [0,1,0,0,0,0|2,0,0]=3 736 B11R1.90 CC(=O)C#Cc1cccn1C Amb25151535 [0,1,0,0,0,0|2,0,1]=4 737 B11R1.90 CC(=O)CCc1cccn1C Amb26038750 [0,1,0,0,0,0|2,0,0]=3 738 B11R1.90 CC(=O)CCc1ccnn1C Amb18831194 [0,1,0,0,0,0|3,0,0]=4 739 B11R1.90 CC(=O)CCc1ccoc1C Amb26553050 [0,1,0,0,0,0|3,0,0]=4 740 B11R1.90 CC(=O)CCc1ccsc1C Amb27866001 [0,1,0,0,0,0|3,0,0]=4 741 B11R1.90 CC(=O)CCc1cncn1C Amb26048243 [0,1,0,0,0,0|3,0,0]=4 742 B11R1.90 CC(=O)CCc1cscc1C Amb33146520 [0,1,0,0,0,0|3,0,0]=4 743 B11R1.90 CC(=O)CCc1nccn1C Amb25691923 [0,1,0,0,0,0|3,0,0]=4 744 B11R1.90 CC(=O)CCc1occc1C Amb26853347 [0,1,0,0,0,0|1,0,0]=2 745 B11R1.90 CC(=O)CCc1sccc1Br Amb25329410 [0,1,0,0,0,0|1,1,0]=3 746 B11R1.90 CC(=O)CCc1sccc1C Amb26320137 [0,1,0,0,0,0|1,1,0]=3 747 B11R1.90 CC(=O)CCc1sccc1Cl Amb25692710 [0,1,0,0,0,0|1,1,0]=3 748 B11R1.90 CC(=O)CCc1scnc1C Amb26936638 [0,1,0,0,0,0|2,1,0]=4 749 B11R1.90 CC(=O)NCc1cccn1C Amb27784913 [0,1,0,0,0,0|2,0,0]=3 750 B11R1.90 CC(=O)NCc1cccn1O Amb27186784 [0,1,0,0,0,0|2,0,0]=3 751 B11R1.90 CC(=O)NCc1ccoc1C Amb25923186 [0,1,0,0,0,0|3,0,0]=4 752 B11R1.90 CC(=O)NCc1ccsc1Br Amb27810068 [0,1,0,0,0,0|3,0,0]=4 753 B11R1.90 CC(=O)NCc1cscc1C Amb27235540 [0,1,0,0,0,0|3,0,0]=4 754 B11R1.90 CC(=O)NCc1sccc1C Amb27647871 [0,1,0,0,0,0|1,1,0]=3 755 B11R1.90 CC(=O)N\N=C1\OC=CN1C Amb27790414 [0,1,0,0,0,0|3,0,0]=4 756 B11R1.90 CC(=O)OCc1cccn1C Amb28319861 [0,1,0,0,0,0|1,0,0]=2 757 B11R1.90 CC(=O)OCc1ccnn1C Amb28140315 [0,1,0,0,0,0|2,0,0]=3 758 B11R1.90 CC(=O)OCc1ccoc1C Amb28370039 [0,1,0,0,0,0|2,0,0]=3 759 B11R1.90 CC(=O)OCc1cncn1C Amb27220497 [0,1,0,0,0,0|2,0,0]=3 760 B11R1.90 CC(=O)OCc1nccn1C Amb27624401 [0,1,0,0,0,0|2,0,0]=3 761 B11R1.90 CC(=O)OCc1nonc1C Amb709261 [0,1,0,0,0,0|3,0,0]=4 762 B11R1.90 CC(=O)OCc1occc1C Amb27272698 [0,1,0,0,0,0|0,0,0]=1 763 B11R1.90 CC(=O)OCc1snnc1C Amb22370505 [0,1,0,0,0,0|2,1,0]=4 764 B11R1.90 CC(=O)SCc1cccn1C Amb27215415 [0,1,0,0,0,0|1,1,0]=3 765 B11R1.90 CC(=O)\C=C\c1cccn1C Amb33079842 [0,1,0,0,0,0|2,0,1]=4 766 B11R1.90 CC(=O)\C=C\c1occc1C Amb33358518 [0,1,0,0,0,0|1,0,1]=3 767 B11R1.90 CC(=O)\C=C\c1sccc1Br Amb27176258 [0,1,0,0,0,0|1,1,1]=4 768 B11R1.90 CC(=O)\C=C\c1sccc1C Amb33448507 [0,1,0,0,0,0|1,1,1]=4 769 B11R1.90 CC(=O)\C=C\c1sccc1Cl Amb33259263 [0,1,0,0,0,0|1,1,1]=4 770 B11R1.90 CC(C)OCc1oncc1N Amb33273795 [0,1,0,0,0,0|2,0,1]=4 771 B11R1.90 CC(O)CCc1occc1Br Amb27798185 [0,1,0,0,0,0|1,0,2]=4 772 B11R1.90 CN(C)NCc1occc1Br Amb27853357 [0,1,0,0,0,0|3,0,0]=4 773 B11R1.90 CS(=O)\N=C\c1occc1Br Amb29865962 [0,1,0,0,0,0|2,0,1]=4 774 B11R1.90 C\C(N)=N\Cc1cccn1C Amb27664866 [0,1,0,0,0,0|3,0,0]=4 775 B11R1.90 Cc1ccoc1CCC(=O)O Amb18200842 [0,1,0,0,0,0|2,0,0]=3 776 B11R1.90 Cc1ccoc1CCC(C)N Amb24488313 [0,1,0,0,0,0|2,0,1]=4 777 B11R1.90 Cc1ccoc1CCC(C)O Amb26395906 [0,1,0,0,0,0|1,0,2]=4 778 B11R1.90 Cc1ccoc1CC[C@@H](C)N Amb33291738 [0,1,0,0,0,0|2,0,1]=4 779 B11R1.90 Cc1ccoc1CC[C@@H](C)O Amb33292666 [0,1,0,0,0,0|1,0,2]=4 780 B11R1.90 Cc1ccoc1CC[C@H](C)N Amb33291593 [0,1,0,0,0,0|2,0,1]=4 781 B11R1.90 Cc1ccoc1CC[C@H](C)O Amb33292703 [0,1,0,0,0,0|1,0,2]=4 782 B11R1.90 Cc1ccoc1CC[N+](=O)[O-] Amb33343166 [0,1,0,0,0,0|3,0,0]=4 783 B11R1.90 Cc1ccoc1CNC(=O)Cl Amb35625874 [0,1,0,0,0,0|2,0,0]=3 784 B11R1.90 Cc1ccoc1CNC(N)=S Amb27850936 [0,1,0,0,0,0|2,1,0]=4 785 B11R1.90 Cc1ccoc1OCC(=O)O Amb33342797 [0,1,0,0,0,0|3,0,0]=4 786 B11R1.90 Cc1ccoc1\C=C\C(=O)O Amb28456772 [0,1,0,0,0,0|2,0,1]=4 787 B11R1.90 Cc1ccoc1\C=N\S(C)=O Amb29865965 [0,1,0,0,0,0|2,0,1]=4 788 B11R1.90 Cc1ccsc1CCC(=O)O Amb2592463 [0,1,0,0,0,0|2,1,0]=4 789 B11R1.90 Cc1ccsc1CNC(=O)Cl Amb35625594 [0,1,0,0,0,0|2,1,0]=4 790 B11R1.90 Cc1ncoc1CCC(=O)O Amb18830918 [0,1,0,0,0,0|3,0,0]=4 791 B11R1.90 Cc1ncsc1COC(=O)Cl Amb33297067 [0,1,0,0,0,0|2,1,0]=4 792 B11R1.90 Cn1cccc1CCC(=O)O Amb33531730 [0,1,0,0,0,0|3,0,0]=4 793 B11R1.90 Cn1cccc1CNC(N)=O Amb25786793 [0,1,0,0,0,0|3,0,0]=4 794 B11R1.90 Cn1ccnc1COC(=O)Cl Amb33297371 [0,1,0,0,0,0|3,0,0]=4 795 B11R1.90 Cn1cncc1COC(=O)Cl Amb33297342 [0,1,0,0,0,0|3,0,0]=4 796 B11R1.90 Cn1nccc1COC(=O)Cl Amb33297359 [0,1,0,0,0,0|3,0,0]=4 797 B11R1.90 O=C(Cl)NCc1sccc1Br Amb35625889 [0,1,0,0,0,0|2,1,0]=4 798 B11R1.90 O=C(Cl)OCc1cscc1Br Amb33297157 [0,1,0,0,0,0|3,0,0]=4 799 B11R1.90 O=C(Cl)OCc1sccc1Br Amb33297111 [0,1,0,0,0,0|1,1,0]=3 800 B11R1.90 O=C(Cl)OCc1scnc1Cl Amb33297224 [0,1,0,0,0,0|2,1,0]=4 801 B11R1.90 O=C(O)C#Cc1occc1Br Amb27605486 [0,1,0,0,0,0|2,0,1]=4 802 B11R1.90 O=C(O)CCc1occc1F Amb27823334 [0,1,0,0,0,0|2,0,0]=3 803 B11R1.90 O=C(O)CCc1sccc1Br Amb18293479 [0,1,0,0,0,0|2,1,0]=4 804 B11R1.90 O=C(O)CCc1sccc1Cl Amb28061379 [0,1,0,0,0,0|2,1,0]=4 805 B11R1.90 O=C(O)CCc1sccc1F Amb33470227 [0,1,0,0,0,0|2,1,0]=4 806 B11R1.90 O=C(O)CCc1sccc1I Amb33470233 [0,1,0,0,0,0|2,1,0]=4 807 B11R1.510 CC(C)(C)NCc1ccco1 Amb1131110 [0,1,0,0,0,0|2,0,1]=4 808 B11R1.510 CC(C)(C)NCc1ccco1 Amb6867987 [0,1,0,0,0,0|2,0,1]=4 809 B11R1.510 CC(C)(C)OCc1cnco1 Amb35652442 [0,1,0,0,0,0|2,0,1]=4 810 B11R1.510 CC(C)(N)CCc1ccco1 Amb18065402 [0,1,0,0,0,0|2,0,1]=4 811 B11R1.510 CS(=N)(=O)NCc1ccco1 Amb29867234 [0,1,0,0,0,0|2,0,0]=3 812 B11R1.510 CS(=N)(=O)NCc1cccs1 Amb30012347 [0,1,0,0,0,0|2,1,0]=4 813 B11R1.510 CS(=N)(=O)NCc1ccno1 Amb29867232 [0,1,0,0,0,0|3,0,0]=4 814 B11R1.510 CS(=O)(=O)NCc1ccco1 Amb3357688 [0,1,0,0,0,0|2,0,0]=3 815 B11R1.510 CS(=O)(=O)NCc1cccs1 Amb2435171 [0,1,0,0,0,0|2,1,0]=4 816 B11R1.510 CS(=O)(=O)NCc1ccno1 Amb28068646 [0,1,0,0,0,0|3,0,0]=4 817 B11R1.510 CS(=O)(=O)OCc1ccco1 Amb27466321 [0,1,0,0,0,0|1,0,0]=2 818 B11R1.510 CS(=O)(=O)OCc1cccs1 Amb28321209 [0,1,0,0,0,0|1,1,0]=3 819 B11R1.510 CS(=O)(=O)OCc1ccns1 Amb35733368 [0,1,0,0,0,0|2,1,0]=4 820 B11R1.510 CS(=O)(=O)OCc1ccsc1 Amb28050839 [0,1,0,0,0,0|3,0,0]=4 821 B11R1.510 CS(=O)(=O)OCc1cncs1 Amb27762783 [0,1,0,0,0,0|2,1,0]=4 822 B11R1.510 NS(=O)(=O)OCc1ccco1 Amb33054157 [0,1,0,0,0,0|2,0,0]=3 823 B11R1.510 NS(=O)(=O)OCc1cccs1 Amb33054163 [0,1,0,0,0,0|2,1,0]=4 824 B11R1.510 NS(=O)(=O)OCc1cnco1 Amb33056479 [0,1,0,0,0,0|3,0,0]=4 825 B11R1.510 O=S(=O)(Cl)CCc1ccco1 Amb33054152 [0,1,0,0,0,0|3,0,0]=4 826 B11R1.510 O=S(=O)(Cl)NCc1ccco1 Amb27949334 [0,1,0,0,0,0|3,0,0]=4 827 B11R1.510 O=S(=O)(F)CCc1ccco1 Amb33054154 [0,1,0,0,0,0|3,0,0]=4 828 B9R0.2 C=CCCCCOC(C)=O Amb10842183 [0,0,1,0,0,0|1,0,2]=4 829 B9R0.2 C=CCOCCCC(C)=O Amb27590994 [0,0,1,0,0,0|1,0,2]=4 830 B9R0.2 C=CCOCCOC(C)=O Amb27656617 [0,0,1,0,0,0|0,0,2]=3 831 B9R0.2 C=C\C=C/CCCC(C)=O Amb28126953 [0,0,1,0,0,0|2,0,1]=4 832 B9R0.2 C=C\C=C\C=C\CC(C)=O Amb27823042 [0,0,1,0,0,0|2,0,1]=4 833 B9R0.2 C=C\C=C\CCCC(C)=O Amb25713959 [0,0,1,0,0,0|2,0,1]=4 834 B9R0.2 CC(=O)N\C=C\C=C\C=O Amb27881539 [0,0,1,0,0,0|1,0,2]=4 835 B9R0.2 CC(=O)OCCC\C=C\Cl Amb24720035 [0,0,1,0,0,0|1,0,2]=4 836 B9R0.2 CC(=O)O\C=C\C=C\CO Amb28453851 [0,0,1,0,0,0|0,0,2]=3 837 B9R0.2 CC(=O)\C=C\C=C\C=C\Cl Amb28125315 [0,0,1,0,0,0|2,0,1]=4 838 B9R0.2 CCC\C=C\COC(C)=O Amb8515402 [0,0,1,0,0,0|1,0,2]=4 839 B9R0.2 CC\C=C\CCOC(C)=O Amb9134795 [0,0,1,0,0,0|1,0,2]=4 840 B9R0.2 C\C=C\C=C\CCC(=O)O Amb18643576 [0,0,1,0,0,0|3,0,0]=4 841 B9R0.2 C\C=C\C=C\CNC(C)=O Amb27827731 [0,0,1,0,0,0|2,0,0]=3 842 B9R0.2 C\C=C\C=C\COC(C)=O Amb4035104 [0,0,1,0,0,0|1,0,0]=2 843 B9R0.2 C\C=C\C=C\COC(N)=O Amb27968532 [0,0,1,0,0,0|2,0,0]=3 844 B9R0.43 C=CC(CO)COC(C)=O Amb28400888 [0,0,1,0,0,0|2,0,1]=4 845 B9R0.43 CC(=O)OC\C(C=O)=N\O Amb27438152 [0,0,1,0,0,0|3,0,0]=4 846 B9R0.43 C\C=C(/C=O)COC(C)=O Amb25371691 [0,0,1,0,0,0|2,0,1]=4 847 B9R0.43 C\C=C(\CO)COC(C)=O Amb27443414 [0,0,1,0,0,0|2,0,1]=4 848 B9R0.48 C=C(COC(C)=O)OCC Amb28050232 [0,0,1,0,0,0|0,0,2]=3 849 B9R0.48 C=CCC(O)CCC(C)=O Amb28194573 [0,0,1,0,0,0|1,0,2]=4 850 B9R0.48 C=CC[C@@H](O)CCC(C)=O Amb28386579 [0,0,1,0,0,0|1,0,2]=4 851 B9R0.48 CC(=O)CC\C(C)=C/C=O Amb27643630 [0,0,1,0,0,0|3,0,0]=4 852 B9R0.48 CC(=O)CC\C(C)=C\C=O Amb27818040 [0,0,1,0,0,0|3,0,0]=4 853 B9R0.48 CC(=O)OCC(=O)C=[N+]=[N-] Amb17593580 [0,0,1,0,0,0|2,0,1]=4 854 B9R0.48 CC(=O)OC\C(C)=C\C=O Amb28385065 [0,0,1,0,0,0|2,0,0]=3 855 B9R0.48 CC(=O)OC\C(C)=C\CBr Amb27817722 [0,0,1,0,0,0|2,0,1]=4 856 B9R0.48 CC(=O)OC\C(C)=C\CN Amb27626538 [0,0,1,0,0,0|2,0,1]=4 857 B9R0.48 C\C=C/[C@@H](O)CCC(C)=O Amb25146706 [0,0,1,0,0,0|1,0,2]=4 858 B9R0.48 C\C=C\C(O)CCC(C)=O Amb25142677 [0,0,1,0,0,0|1,0,2]=4 859 B9R0.48 C\C=C\C(O)CNC(C)=O Amb24480779 [0,0,1,0,0,0|1,0,2]=4 860 B11R2.11 O=C1CC(c2ccco2)N1 Amb27230866 [0,0,0,1,0,0|1,0,0]=2 861 B11R2.11 O=C1CC(c2cccs2)N1 Amb25185121 [0,0,0,1,0,0|1,1,0]=3 862 B11R2.11 O=C1CC(c2ccns2)N1 Amb33192091 [0,0,0,1,0,0|2,1,0]=4 863 B11R2.11 O=C1CC(c2ccoc2)N1 Amb27175356 [0,0,0,1,0,0|3,0,0]=4 864 B11R2.11 O=C1CC(c2ccsc2)C1 Amb27396314 [0,0,0,1,0,0|3,0,0]=4 865 B11R2.11 O=C1CC(c2ccsc2)N1 Amb24376718 [0,0,0,1,0,0|3,0,0]=4 866 B11R2.11 O=C1CC(c2cncs2)N1 Amb27204951 [0,0,0,1,0,0|2,1,0]=4 867 B11R2.11 O=C1CC(n2cccn2)C1 Amb25199247 [0,0,0,1,0,0|3,0,0]=4 868 B11R2.11 O=C1C[C@H](c2cccs2)N1 Amb28397156 [0,0,0,1,0,0|1,1,0]=3 869 B11R2.36 Cc1ccc2occc2c1 Amb22751743 [0,0,0,1,0,0|2,0,1]=4 870 B11R2.36 Cc1ccc2occc2n1 Amb26844414 [0,0,0,1,0,0|2,0,1]=4 871 B11R2.36 Cc1cnc2occc2c1 Amb23403003 [0,0,0,1,0,0|3,0,0]=4 872 B11R2.36 O=C1CCc2ccsc2C1 Amb24707052 [0,0,0,1,0,0|3,0,0]=4 873 B11R2.36 O=C1CCc2cscc2C1 Amb25145556 [0,0,0,1,0,0|3,0,0]=4 874 B11R2.36 O=C1CCc2nccn2C1 Amb27787676 [0,0,0,1,0,0|3,0,0]=4 875 B11R2.36 O=C1CCc2ncoc2C1 Amb27851704 [0,0,0,1,0,0|3,0,0]=4 876 B11R2.36 O=C1CCc2sccc2C1 Amb28288918 [0,0,0,1,0,0|1,1,0]=3 877 B11R2.36 O=C1CCc2scnc2C1 Amb24694323 [0,0,0,1,0,0|2,1,0]=4 878 B11R2.36 O=C1CCn2cccc2C1 Amb18203103 [0,0,0,1,0,0|3,0,0]=4 879 B11R2.36 O=C1Cn2ccnc2CN1 Amb25057886 [0,0,0,1,0,0|3,0,0]=4 880 B11R2.141 CC(=O)C1CC12C=CC=C2 Amb25063592 [0,0,0,1,0,0|2,0,1]=4 881 B11R2.359 O=C1CC2C=CC(CN1)O2 Amb28194911 [0,0,0,1,0,0|1,0,2]=4 882 B11R2.385 c1coc(CNC2CC2)c1 Amb1136152 [0,0,0,1,0,0|2,0,1]=4 883 B9R1.13 BrC(Br)=Cc1ccco1 Amb22228062 [0,0,0,0,1,0|2,0,1]=4 884 B9R1.13 C=C(Br)Cc1ccco1 Amb24411253 [0,0,0,0,1,0|1,0,1]=3 885 B9R1.13 C=C(Br)Cc1cccs1 Amb25185096 [0,0,0,0,1,0|1,1,1]=4 886 B9R1.13 C=C(C)Cc1ccco1 Amb24673621 [0,0,0,0,1,0|1,0,0]=2 887 B9R1.13 C=C(C)Cc1cccs1 Amb27413817 [0,0,0,0,1,0|1,1,0]=3 888 B9R1.13 C=C(C)Cn1cccc1 Amb27454576 [0,0,0,0,1,0|3,0,0]=4 889 B9R1.13 C=C(Cl)Cc1ccco1 Amb27881309 [0,0,0,0,1,0|1,0,1]=3 890 B9R1.13 C=C(Cl)Cc1cccs1 Amb24674094 [0,0,0,0,1,0|1,1,1]=4 891 B9R1.13 CC(=O)CC1C=CCC1 Amb2721318 [0,0,0,0,1,0|1,0,2]=4 892 B9R1.13 CC(=O)CC1C=CCO1 Amb28251003 [0,0,0,0,1,0|0,0,2]=3 893 B9R1.13 CC(=O)C[C@@H]1C=CCO1 Amb28193210 [0,0,0,0,1,0|0,0,2]=3 894 B9R1.13 CC(=O)Cc1ccco1 Amb5751052 [0,0,0,0,1,0|0,0,0]=1 895 B9R1.13 CC(=O)Cc1cccs1 Amb3429447 [0,0,0,0,1,0|0,1,0]=2 896 B9R1.13 CC(=O)Cc1ccno1 Amb24425365 [0,0,0,0,1,0|1,0,0]=2 897 B9R1.13 CC(=O)Cc1ccns1 Amb35651562 [0,0,0,0,1,0|1,1,0]=3 898 B9R1.13 CC(=O)Cc1ccoc1 Amb25713513 [0,0,0,0,1,0|2,0,0]=3 899 B9R1.13 CC(=O)Cc1ccon1 Amb33080144 [0,0,0,0,1,0|2,0,0]=3 900 B9R1.13 CC(=O)Cc1ccsc1 Amb6744886 [0,0,0,0,1,0|2,0,0]=3 901 B9R1.13 CC(=O)Cc1cnco1 Amb33416893 [0,0,0,0,1,0|1,0,0]=2 902 B9R1.13 CC(=O)Cc1cncs1 Amb25887376 [0,0,0,0,1,0|1,1,0]=3 903 B9R1.13 CC(=O)Cc1cnsn1 Amb27475330 [0,0,0,0,1,0|3,0,0]=4 904 B9R1.13 CC(=O)Cc1conn1 Amb27267147 [0,0,0,0,1,0|3,0,0]=4 905 B9R1.13 CC(=O)Cc1cscn1 Amb26967074 [0,0,0,0,1,0|2,0,0]=3 906 B9R1.13 CC(=O)Cc1csnn1 Amb28120384 [0,0,0,0,1,0|3,0,0]=4 907 B9R1.13 CC(=O)Cc1nccs1 Amb6297701 [0,0,0,0,1,0|1,1,0]=3 908 B9R1.13 CC(=O)Cc1ncon1 Amb25758852 [0,0,0,0,1,0|3,0,0]=4 909 B9R1.13 CC(=O)Cc1ncsn1 Amb18202586 [0,0,0,0,1,0|3,0,0]=4 910 B9R1.13 CC(=O)Cc1nnco1 Amb27838736 [0,0,0,0,1,0|2,0,0]=3 911 B9R1.13 CC(=O)Cn1cccn1 Amb1092543 [0,0,0,0,1,0|2,0,0]=3 912 B9R1.13 CC(=O)Cn1cccn1 Amb21988437 [0,0,0,0,1,0|2,0,0]=3 913 B9R1.13 CC(=O)Cn1ccnc1 Amb8428069 [0,0,0,0,1,0|3,0,0]=4 914 B9R1.13 CC(=O)Cn1ccnc1 Amb9173088 [0,0,0,0,1,0|3,0,0]=4 915 B9R1.13 CC(=O)Cn1cncn1 Amb22284176 [0,0,0,0,1,0|3,0,0]=4 916 B9R1.13 CC(=O)Cn1cncn1 Amb33534624 [0,0,0,0,1,0|3,0,0]=4 917 B9R1.13 CC(=O)Nc1ccco1 Amb2611741 [0,0,0,0,1,0|1,0,0]=2 918 B9R1.13 CC(=O)Nc1cccs1 Amb2228309 [0,0,0,0,1,0|1,1,0]=3 919 B9R1.13 CC(=O)Nc1ccon1 Amb25868303 [0,0,0,0,1,0|3,0,0]=4 920 B9R1.13 CC(=O)Nc1ccsc1 Amb4036279 [0,0,0,0,1,0|3,0,0]=4 921 B9R1.13 CC(=O)Nc1cscn1 Amb6298641 [0,0,0,0,1,0|3,0,0]=4 922 B9R1.13 CC(=O)Nc1ncco1 Amb27614332 [0,0,0,0,1,0|2,0,0]=3 923 B9R1.13 CC(=O)Nc1nccs1 Amb6336321 [0,0,0,0,1,0|2,1,0]=4 924 B9R1.13 CC(=O)Oc1ccco1 Amb27614492 [0,0,0,0,1,0|0,0,0]=1 925 B9R1.13 CC(=O)Oc1ccsc1 Amb28138065 [0,0,0,0,1,0|2,0,0]=3 926 B9R1.13 CC(=O)On1cccc1 Amb28366433 [0,0,0,0,1,0|2,0,0]=3 927 B9R1.13 CC(=O)Sc1ccsc1 Amb24727644 [0,0,0,0,1,0|2,1,0]=4 928 B9R1.13 CC(=O)\C=C1/C=CCO1 Amb27186200 [0,0,0,0,1,0|0,0,2]=3 929 B9R1.13 CC(=O)\C=C1\CC=CO1 Amb28326023 [0,0,0,0,1,0|0,0,2]=3 930 B9R1.13 CC(Br)Cc1ccco1 Amb25074648 [0,0,0,0,1,0|1,0,1]=3 931 B9R1.13 CC(Br)Cc1cccs1 Amb26653704 [0,0,0,0,1,0|1,1,1]=4 932 B9R1.13 CC(Br)Cc1cnco1 Amb33335734 [0,0,0,0,1,0|2,0,1]=4 933 B9R1.13 CC(C)Cc1ccco1 Amb2592659 [0,0,0,0,1,0|1,0,1]=3 934 B9R1.13 CC(C)Cc1cccs1 Amb24061264 [0,0,0,0,1,0|1,1,1]=4 935 B9R1.13 CC(C)Cc1cnco1 Amb30019089 [0,0,0,0,1,0|2,0,1]=4 936 B9R1.13 CC(C)Cc1ncco1 Amb17399801 [0,0,0,0,1,0|2,0,1]=4 937 B9R1.13 CC(C)Oc1ccco1 Amb27451310 [0,0,0,0,1,0|1,0,1]=3 938 B9R1.13 CC(C)Sc1ccco1 Amb28255929 [0,0,0,0,1,0|1,1,1]=4 939 B9R1.13 CC(Cl)Cc1ccco1 Amb27472699 [0,0,0,0,1,0|1,0,1]=3 940 B9R1.13 CC(Cl)Cc1cccs1 Amb17477833 [0,0,0,0,1,0|1,1,1]=4 941 B9R1.13 CC(N)Cc1ccco1 Amb534653 [0,0,0,0,1,0|1,0,1]=3 942 B9R1.13 CC(N)Cc1cccs1 Amb19514742 [0,0,0,0,1,0|1,1,1]=4 943 B9R1.13 CC(N)Cc1cccs1 Amb9714775 [0,0,0,0,1,0|1,1,1]=4 944 B9R1.13 CC(N)Cc1ccno1 Amb27438725 [0,0,0,0,1,0|2,0,1]=4 945 B9R1.13 CC(O)Cc1ccco1 Amb22748663 [0,0,0,0,1,0|0,0,2]=3 946 B9R1.13 CC(O)Cc1cccs1 Amb4016400 [0,0,0,0,1,0|0,1,2]=4 947 B9R1.13 CC(O)Cc1ccno1 Amb24747618 [0,0,0,0,1,0|1,0,2]=4 948 B9R1.13 CC(O)Cc1cnco1 Amb33415202 [0,0,0,0,1,0|1,0,2]=4 949 B9R1.13 CC(S)Cc1ccco1 Amb25132353 [0,0,0,0,1,0|0,1,1]=3 950 B9R1.13 CC(S)Cc1cccs1 Amb29859712 [0,0,0,0,1,0|0,2,1]=4 951 B9R1.13 CN(C)Cc1cccs1 Amb21864815 [0,0,0,0,1,0|2,1,0]=4 952 B9R1.13 CN(C)Cc1ccno1 Amb28285245 [0,0,0,0,1,0|3,0,0]=4 953 B9R1.13 CN(N)Cc1cccs1 Amb27185999 [0,0,0,0,1,0|2,1,0]=4 954 B9R1.13 CN(O)Cc1ccco1 Amb33360968 [0,0,0,0,1,0|1,0,1]=3 955 B9R1.13 CN(O)Cc1cccs1 Amb33360066 [0,0,0,0,1,0|1,1,1]=4 956 B9R1.13 CN(O)Cc1cnco1 Amb33415281 [0,0,0,0,1,0|2,0,1]=4 957 B9R1.13 C[C@@H](N)Cc1ccco1 Amb33360956 [0,0,0,0,1,0|1,0,1]=3 958 B9R1.13 C[C@@H](N)Cc1cccs1 Amb24680998 [0,0,0,0,1,0|1,1,1]=4 959 B9R1.13 C[C@@H](N)Cc1ccno1 Amb33230097 [0,0,0,0,1,0|2,0,1]=4 960 B9R1.13 C[C@@H](N)Cc1cnco1 Amb33414816 [0,0,0,0,1,0|2,0,1]=4 961 B9R1.13 C[C@@H](O)Cc1ccco1 Amb24433279 [0,0,0,0,1,0|0,0,2]=3 962 B9R1.13 C[C@@H](O)Cc1cccs1 Amb22896924 [0,0,0,0,1,0|0,1,2]=4 963 B9R1.13 C[C@@H](O)Cc1ccno1 Amb28205802 [0,0,0,0,1,0|1,0,2]=4 964 B9R1.13 C[C@@H](O)Cc1cnco1 Amb33414812 [0,0,0,0,1,0|1,0,2]=4 965 B9R1.13 C[C@H](N)Cc1ccco1 Amb27831576 [0,0,0,0,1,0|1,0,1]=3 966 B9R1.13 C[C@H](N)Cc1cccs1 Amb27655600 [0,0,0,0,1,0|1,1,1]=4 967 B9R1.13 C[C@H](N)Cc1ccno1 Amb33230085 [0,0,0,0,1,0|2,0,1]=4 968 B9R1.13 C[C@H](N)Cc1cnco1 Amb33414815 [0,0,0,0,1,0|2,0,1]=4 969 B9R1.13 C[C@H](O)CC1=CC=CC1 Amb27770335 [0,0,0,0,1,0|1,0,2]=4 970 B9R1.13 C[C@H](O)Cc1ccco1 Amb28342905 [0,0,0,0,1,0|0,0,2]=3 971 B9R1.13 C[C@H](O)Cc1cccs1 Amb25354706 [0,0,0,0,1,0|0,1,2]=4 972 B9R1.13 C[C@H](O)Cc1cnco1 Amb33414814 [0,0,0,0,1,0|1,0,2]=4 973 B9R1.13 F\C(Br)=C\c1ccco1 Amb27847169 [0,0,0,0,1,0|2,0,1]=4 974 B9R1.13 N=C(N)Cc1ccco1 Amb27834673 [0,0,0,0,1,0|2,0,0]=3 975 B9R1.13 N=C(N)Cc1cccs1 Amb2696408 [0,0,0,0,1,0|2,1,0]=4 976 B9R1.13 N=C(N)Cc1cccs1 Amb8630204 [0,0,0,0,1,0|2,1,0]=4 977 B9R1.13 N=C(N)Cc1cnco1 Amb33319553 [0,0,0,0,1,0|3,0,0]=4 978 B9R1.13 NC(=O)Cc1cccs1 Amb3620365 [0,0,0,0,1,0|1,1,0]=3 979 B9R1.13 NC(=O)Cc1ccoc1 Amb28186970 [0,0,0,0,1,0|3,0,0]=4 980 B9R1.13 NC(=O)Cc1ccsc1 Amb33545701 [0,0,0,0,1,0|3,0,0]=4 981 B9R1.13 NC(=O)Cc1ccsn1 Amb27460712 [0,0,0,0,1,0|3,0,0]=4 982 B9R1.13 NC(=O)Cc1cncs1 Amb22372056 [0,0,0,0,1,0|2,1,0]=4 983 B9R1.13 NC(=O)Cc1cscn1 Amb2610764 [0,0,0,0,1,0|3,0,0]=4 984 B9R1.13 NC(=O)Cn1cccn1 Amb10609663 [0,0,0,0,1,0|3,0,0]=4 985 B9R1.13 NC(=O)Nc1ccco1 Amb27804619 [0,0,0,0,1,0|2,0,0]=3 986 B9R1.13 NC(=O)Nc1cccs1 Amb28248962 [0,0,0,0,1,0|2,1,0]=4 987 B9R1.13 NC(=O)Nc1ncco1 Amb27201421 [0,0,0,0,1,0|3,0,0]=4 988 B9R1.13 NC(=S)Cc1ccco1 Amb27217977 [0,0,0,0,1,0|1,1,0]=3 989 B9R1.13 NC(=S)Cc1cccs1 Amb1092031 [0,0,0,0,1,0|1,2,0]=4 990 B9R1.13 NC(=S)Cc1cnco1 Amb33319552 [0,0,0,0,1,0|2,1,0]=4 991 B9R1.13 O=C(Cl)Cc1ccco1 Amb25124003 [0,0,0,0,1,0|1,0,0]=2 992 B9R1.13 O=C(Cl)Cc1cccs1 Amb535730 [0,0,0,0,1,0|1,1,0]=3 993 B9R1.13 O=C(Cl)Cc1ccoc1 Amb27634134 [0,0,0,0,1,0|3,0,0]=4 994 B9R1.13 O=C(Cl)Cc1ccsc1 Amb2690604 [0,0,0,0,1,0|3,0,0]=4 995 B9R1.13 O=C(O)CC1=CC=CC1 Amb28370362 [0,0,0,0,1,0|2,0,0]=3 996 B9R1.13 O=C(O)CC1=CCC=C1 Amb27945563 [0,0,0,0,1,0|2,0,1]=4 997 B9R1.13 O=C(O)Cc1ccco1 Amb2792725 [0,0,0,0,1,0|1,0,0]=2 998 B9R1.13 O=C(O)Cc1cccs1 Amb6335251 [0,0,0,0,1,0|1,1,0]=3 999 B9R1.13 O=C(O)Cc1ccno1 Amb8009410 [0,0,0,0,1,0|2,0,0]=3 1000 B9R1.13 O=C(O)Cc1ccns1 Amb18831590 [0,0,0,0,1,0|2,1,0]=4 1001 B9R1.13 O=C(O)Cc1ccoc1 Amb2611514 [0,0,0,0,1,0|3,0,0]=4 1002 B9R1.13 O=C(O)Cc1ccon1 Amb8009412 [0,0,0,0,1,0|3,0,0]=4 1003 B9R1.13 O=C(O)Cc1ccsc1 Amb1151879 [0,0,0,0,1,0|3,0,0]=4 1004 B9R1.13 O=C(O)Cc1ccsn1 Amb18831591 [0,0,0,0,1,0|3,0,0]=4 1005 B9R1.13 O=C(O)Cc1cnco1 Amb8009409 [0,0,0,0,1,0|2,0,0]=3 1006 B9R1.13 O=C(O)Cc1cncs1 Amb3319218 [0,0,0,0,1,0|2,1,0]=4 1007 B9R1.13 O=C(O)Cc1cocn1 Amb8009408 [0,0,0,0,1,0|3,0,0]=4 1008 B9R1.13 O=C(O)Cc1cscn1 Amb17039671 [0,0,0,0,1,0|3,0,0]=4 1009 B9R1.13 O=C(O)Cc1cscn1 Amb33537693 [0,0,0,0,1,0|3,0,0]=4 1010 B9R1.13 O=C(O)Cc1ncco1 Amb8009407 [0,0,0,0,1,0|2,0,0]=3 1011 B9R1.13 O=C(O)Cc1nccs1 Amb9533133 [0,0,0,0,1,0|2,1,0]=4 1012 B9R1.13 O=C(O)Cc1nnco1 Amb22753920 [0,0,0,0,1,0|3,0,0]=4 1013 B9R1.13 O=C(O)Cn1cccc1 Amb1124868 [0,0,0,0,1,0|3,0,0]=4 1014 B9R1.13 O=C(O)Cn1cccn1 Amb1157167 [0,0,0,0,1,0|3,0,0]=4 1015 B9R1.13 O=C([O-])Cc1ccoc1 Amb8439404 [0,0,0,0,1,0|3,0,0]=4 1016 B9R1.13 O=C([O-])Cc1cnco1 Amb33621239 [0,0,0,0,1,0|2,0,0]=3 1017 B9R1.13 O=C([O-])Cc1nccs1 Amb32648040 [0,0,0,0,1,0|2,1,0]=4 1018 B9R1.13 O=C([O-])Cc1nnco1 Amb20667981 [0,0,0,0,1,0|3,0,0]=4 1019 B9R1.13 O=C([OH2+])Cn1cccn1 Amb10552495 [0,0,0,0,1,0|3,0,0]=4 1020 B9R1.13 O=S([O-])Cc1ccno1 Amb32755743 [0,0,0,0,1,0|3,0,0]=4 1021 B9R1.13 O=[N+]([O-])Cc1ccco1 Amb28240844 [0,0,0,0,1,0|2,0,0]=3 1022 B9R1.13 O=[N+]([O-])Cc1cccs1 Amb26527648 [0,0,0,0,1,0|2,1,0]=4 1023 B9R1.13 O=[N+]([O-])Cc1cnco1 Amb33414797 [0,0,0,0,1,0|3,0,0]=4 1024 B9R1.13 OC(=S)Cc1cccs1 Amb2611516 [0,0,0,0,1,0|1,1,1]=4 1025 B11R1.91 C=C(C)CCc1ccccc1 Amb28199357 [0,0,0,0,0,1|3,0,0]=4 1026 B11R1.91 C=C(C)NCc1ccccc1 Amb27174576 [0,0,0,0,0,1|3,0,0]=4 1027 B11R1.91 C=C(C)OCc1ccccc1 Amb22731238 [0,0,0,0,0,1|2,0,0]=3 1028 B11R1.91 C=C(O)OCc1ccccc1 Amb26478129 [0,0,0,0,0,1|1,0,2]=4 1029 B11R1.91 CC(=N)NCc1ccccc1 Amb24477667 [0,0,0,0,0,1|3,0,0]=4 1030 B11R1.91 CC(=N)NCc1ccccn1 Amb25798703 [0,0,0,0,0,1|3,0,0]=4 1031 B11R1.91 CC(=N)NCc1cnccn1 Amb35635343 [0,0,0,0,0,1|3,0,0]=4 1032 B11R1.91 CC(=N)SCc1ccccc1 Amb17609340 [0,0,0,0,0,1|2,1,0]=4 1033 B11R1.91 CC(=O)C#Cc1ccccc1 Amb6336493 [0,0,0,0,0,1|2,0,1]=4 1034 B11R1.91 CC(=O)C#Cc1ccccn1 Amb27267519 [0,0,0,0,0,1|2,0,1]=4 1035 B11R1.91 CC(=O)C#Cc1cccnc1 Amb26455637 [0,0,0,0,0,1|2,0,1]=4 1036 B11R1.91 CC(=O)C#Cc1ccncc1 Amb27249499 [0,0,0,0,0,1|2,0,1]=4 1037 B11R1.91 CC(=O)CCc1ccccc1 Amb4605983 [0,0,0,0,0,1|2,0,0]=3 1038 B11R1.91 CC(=O)CCc1ccccn1 Amb17507163 [0,0,0,0,0,1|2,0,0]=3 1039 B11R1.91 CC(=O)CCc1cccnc1 Amb17507164 [0,0,0,0,0,1|2,0,0]=3 1040 B11R1.91 CC(=O)CCc1ccncc1 Amb17507165 [0,0,0,0,0,1|2,0,0]=3 1041 B11R1.91 CC(=O)CCc1ccncc1 Amb33329478 [0,0,0,0,0,1|2,0,0]=3 1042 B11R1.91 CC(=O)CCc1ccncn1 Amb27399166 [0,0,0,0,0,1|2,0,0]=3 1043 B11R1.91 CC(=O)CCc1cnccn1 Amb25307907 [0,0,0,0,0,1|2,0,0]=3 1044 B11R1.91 CC(=O)CCc1cncnc1 Amb28285350 [0,0,0,0,0,1|3,0,0]=4 1045 B11R1.91 CC(=O)CCc1ncccn1 Amb24726140 [0,0,0,0,0,1|2,0,0]=3 1046 B11R1.91 CC(=O)CNc1ccccc1 Amb24447025 [0,0,0,0,0,1|3,0,0]=4 1047 B11R1.91 CC(=O)CNc1ccccn1 Amb26542003 [0,0,0,0,0,1|3,0,0]=4 1048 B11R1.91 CC(=O)COc1ccccc1 Amb8515312 [0,0,0,0,0,1|3,0,0]=4 1049 B11R1.91 CC(=O)COc1ccccn1 Amb26557634 [0,0,0,0,0,1|3,0,0]=4 1050 B11R1.91 CC(=O)CSc1ccccc1 Amb3836103 [0,0,0,0,0,1|3,0,0]=4 1051 B11R1.91 CC(=O)CSc1ccccn1 Amb9215975 [0,0,0,0,0,1|3,0,0]=4 1052 B11R1.91 CC(=O)CSc1cccnc1 Amb28351579 [0,0,0,0,0,1|3,0,0]=4 1053 B11R1.91 CC(=O)CSc1ncccn1 Amb9268712 [0,0,0,0,0,1|3,0,0]=4 1054 B11R1.91 CC(=O)NCC1=CCCOC1 Amb27652806 [0,0,0,0,0,1|1,0,2]=4 1055 B11R1.91 CC(=O)NCC1=COCCO1 Amb28065546 [0,0,0,0,0,1|1,0,2]=4 1056 B11R1.91 CC(=O)NC[C@@H]1CCC=CO1 Amb28074130 [0,0,0,0,0,1|1,0,2]=4 1057 B11R1.91 CC(=O)NCc1ccccc1 Amb1214455 [0,0,0,0,0,1|2,0,0]=3 1058 B11R1.91 CC(=O)NCc1ccccn1 Amb3358089 [0,0,0,0,0,1|2,0,0]=3 1059 B11R1.91 CC(=O)NCc1ccccn1 Amb6892496 [0,0,0,0,0,1|2,0,0]=3 1060 B11R1.91 CC(=O)NCc1cccnn1 Amb26956190 [0,0,0,0,0,1|2,0,0]=3 1061 B11R1.91 CC(=O)NCc1ccncc1 Amb2694533 [0,0,0,0,0,1|2,0,0]=3 1062 B11R1.91 CC(=O)NCc1cncnc1 Amb22727960 [0,0,0,0,0,1|3,0,0]=4 1063 B11R1.91 CC(=O)NNc1ccccc1 Amb4081010 [0,0,0,0,0,1|3,0,0]=4 1064 B11R1.91 CC(=O)NNc1ccncn1 Amb27665829 [0,0,0,0,0,1|3,0,0]=4 1065 B11R1.91 CC(=O)NNc1ncccn1 Amb25739617 [0,0,0,0,0,1|3,0,0]=4 1066 B11R1.91 CC(=O)OC[n+]1ccccc1 Amb27259021 [0,0,0,0,0,1|2,0,0]=3 1067 B11R1.91 CC(=O)OCc1ccccc1 Amb8513061 [0,0,0,0,0,1|1,0,0]=2 1068 B11R1.91 CC(=O)OCc1ccccn1 Amb9780355 [0,0,0,0,0,1|1,0,0]=2 1069 B11R1.91 CC(=O)OCc1cccnc1 Amb8388631 [0,0,0,0,0,1|1,0,0]=2 1070 B11R1.91 CC(=O)OCc1ncccn1 Amb22756932 [0,0,0,0,0,1|1,0,0]=2 1071 B11R1.91 CC(=O)O[Hg]c1ccccc1 Amb8385173 [0,0,0,0,0,1|2,0,0]=3 1072 B11R1.91 CC(=O)SCc1ccccc1 Amb26888160 [0,0,0,0,0,1|1,1,0]=3 1073 B11R1.91 CC(=O)\C=C\c1ccccc1 Amb1658842 [0,0,0,0,0,1|2,0,1]=4 1074 B11R1.91 CC(=O)\C=C\c1ccccc1 Amb33716963 [0,0,0,0,0,1|2,0,1]=4 1075 B11R1.91 CC(=O)\C=C\c1ccccn1 Amb17477755 [0,0,0,0,0,1|2,0,1]=4 1076 B11R1.91 CC(=O)\C=C\c1ccccn1 Amb32652097 [0,0,0,0,0,1|2,0,1]=4 1077 B11R1.91 CC(=O)\C=C\c1cccnc1 Amb33223775 [0,0,0,0,0,1|2,0,1]=4 1078 B11R1.91 CC(=O)\C=C\c1ccncc1 Amb33359225 [0,0,0,0,0,1|2,0,1]=4 1079 B11R1.91 CC(=O)\C=C\c1ccncn1 Amb33359235 [0,0,0,0,0,1|2,0,1]=4 1080 B11R1.91 CC(=O)\C=C\c1cnccn1 Amb35601036 [0,0,0,0,0,1|2,0,1]=4 1081 B11R1.91 CC(=O)\C=C\c1ncccn1 Amb26488880 [0,0,0,0,0,1|2,0,1]=4 1082 B11R1.91 CC(=O)\N=N\c1ccccc1 Amb16231119 [0,0,0,0,0,1|3,0,0]=4 1083 B11R1.91 CC(=S)NCc1ccccc1 Amb1797002 [0,0,0,0,0,1|2,1,0]=4 1084 B11R1.91 CC(C)=CCc1ccccc1 Amb2720924 [0,0,0,0,0,1|3,0,0]=4 1085 B11R1.91 CC(C)=NCc1ccccc1 Amb10568469 [0,0,0,0,0,1|3,0,0]=4 1086 B11R1.91 CC(C)OCc1ccccc1 Amb3988003 [0,0,0,0,0,1|2,0,1]=4 1087 B11R1.91 C[PH](=O)OCc1ccccc1 Amb8391293 [0,0,0,0,0,1|2,0,0]=3 1088 B11R1.91 N=C(N)OCc1ccccc1 Amb6773970 [0,0,0,0,0,1|3,0,0]=4 1089 B11R1.91 NC(=O)CCc1ccccc1 Amb2708677 [0,0,0,0,0,1|3,0,0]=4 1090 B11R1.91 NC(=O)CCc1ccccn1 Amb17399914 [0,0,0,0,0,1|3,0,0]=4 1091 B11R1.91 NC(=O)CCc1ccncc1 Amb10553007 [0,0,0,0,0,1|3,0,0]=4 1092 B11R1.91 NC(=O)CCc1ccncn1 Amb27231725 [0,0,0,0,0,1|3,0,0]=4 1093 B11R1.91 NC(=O)NCc1ccccc1 Amb2435042 [0,0,0,0,0,1|3,0,0]=4 1094 B11R1.91 NC(=O)NCc1ccccn1 Amb1050832 [0,0,0,0,0,1|3,0,0]=4 1095 B11R1.91 NC(=O)NCc1cccnc1 Amb2435041 [0,0,0,0,0,1|3,0,0]=4 1096 B11R1.91 NC(=O)NCc1cccnn1 Amb28284968 [0,0,0,0,0,1|3,0,0]=4 1097 B11R1.91 NC(=O)NCc1ccncc1 Amb6658828 [0,0,0,0,0,1|3,0,0]=4 1098 B11R1.91 NC(=O)NCc1cnccn1 Amb35654788 [0,0,0,0,0,1|3,0,0]=4 1099 B11R1.91 NC(=O)OCc1ccccc1 Amb4404204 [0,0,0,0,0,1|2,0,0]=3 1100 B11R1.91 NC(=O)OCc1cccnc1 Amb26464124 [0,0,0,0,0,1|2,0,0]=3 1101 B11R1.91 NC(=O)SCc1ccccc1 Amb28342215 [0,0,0,0,0,1|2,1,0]=4 1102 B11R1.91 NC(=O)SCc1ccccn1 Amb28145815 [0,0,0,0,0,1|2,1,0]=4 1103 B11R1.91 O=C(Cl)CCc1ccccc1 Amb2725506 [0,0,0,0,0,1|3,0,0]=4 1104 B11R1.91 O=C(Cl)CCc1ccccn1 Amb2696649 [0,0,0,0,0,1|3,0,0]=4 1105 B11R1.91 O=C(Cl)CCc1cccnc1 Amb24077445 [0,0,0,0,0,1|3,0,0]=4 1106 B11R1.91 O=C(Cl)OCc1ccccc1 Amb6296595 [0,0,0,0,0,1|2,0,0]=3 1107 B11R1.91 O=C(Cl)OCc1ccccn1 Amb33297000 [0,0,0,0,0,1|2,0,0]=3 1108 B11R1.91 O=C(Cl)OCc1cccnc1 Amb25852784 [0,0,0,0,0,1|2,0,0]=3 1109 B11R1.91 O=C(Cl)OCc1cccnc1 Amb33465543 [0,0,0,0,0,1|2,0,0]=3 1110 B11R1.91 O=C(Cl)OCc1ccncc1 Amb24559531 [0,0,0,0,0,1|2,0,0]=3 1111 B11R1.91 O=C(Cl)OCc1cnccn1 Amb33297299 [0,0,0,0,0,1|2,0,0]=3 1112 B11R1.91 O=C(F)OCc1ccccc1 Amb27879062 [0,0,0,0,0,1|2,0,0]=3 1113 B11R1.91 O=C(O)CCc1ccccc1 Amb6356505 [0,0,0,0,0,1|3,0,0]=4 1114 B11R1.91 O=C(O)CCc1ccccn1 Amb2696647 [0,0,0,0,0,1|3,0,0]=4 1115 B11R1.91 O=C(O)CCc1ccccn1 Amb33532884 [0,0,0,0,0,1|3,0,0]=4 1116 B11R1.91 O=C(O)CCc1ccccn1 Amb8428105 [0,0,0,0,0,1|3,0,0]=4 1117 B11R1.91 O=C(O)CCc1cccnc1 Amb1214870 [0,0,0,0,0,1|3,0,0]=4 1118 B11R1.91 O=C(O)CCc1cccnn1 Amb23592184 [0,0,0,0,0,1|3,0,0]=4 1119 B11R1.91 O=C(O)CCc1ccncc1 Amb1090849 [0,0,0,0,0,1|3,0,0]=4 1120 B11R1.91 O=C(O)CCc1ccncn1 Amb33545203 [0,0,0,0,0,1|3,0,0]=4 1121 B11R1.91 O=C(O)CCc1cnccn1 Amb5846608 [0,0,0,0,0,1|3,0,0]=4 1122 B11R1.91 O=C(O)CCc1ncccn1 Amb3997808 [0,0,0,0,0,1|3,0,0]=4 1123 B11R1.91 O=C([O-])CCc1ccccn1 Amb32882485 [0,0,0,0,0,1|3,0,0]=4 1124 B11R1.172 C=C(Br)CNCc1ccco1 Amb2643510 [0,0,0,0,0,1|2,0,1]=4 1125 B11R1.172 C=C(C)CNCc1ccco1 Amb17308692 [0,0,0,0,0,1|2,0,0]=3 1126 B11R1.172 C=C(C)CNCc1cccs1 Amb18805734 [0,0,0,0,0,1|2,1,0]=4 1127 B11R1.172 C=C(C)CNCc1ccno1 Amb27987999 [0,0,0,0,0,1|3,0,0]=4 1128 B11R1.172 CC(=O)C=C=Cc1ccco1 Amb24689517 [0,0,0,0,0,1|1,0,1]=3 1129 B11R1.172 CC(=O)CCCc1ccco1 Amb17232099 [0,0,0,0,0,1|1,0,0]=2 1130 B11R1.172 CC(=O)CCCc1cccs1 Amb17232678 [0,0,0,0,0,1|1,1,0]=3 1131 B11R1.172 CC(=O)CCCc1ccoc1 Amb28080133 [0,0,0,0,0,1|3,0,0]=4 1132 B11R1.172 CC(=O)CCCc1ccsc1 Amb27492050 [0,0,0,0,0,1|3,0,0]=4 1133 B11R1.172 CC(=O)CCCc1nccs1 Amb27492117 [0,0,0,0,0,1|2,1,0]=4 1134 B11R1.172 CC(=O)CCCn1cccn1 Amb9659583 [0,0,0,0,0,1|3,0,0]=4 1135 B11R1.172 CC(=O)CCNc1ccsc1 Amb32675826 [0,0,0,0,0,1|3,0,0]=4 1136 B11R1.172 CC(=O)CCSc1ccco1 Amb27672627 [0,0,0,0,0,1|1,0,0]=2 1137 B11R1.172 CC(=O)CSCc1ccco1 Amb6357577 [0,0,0,0,0,1|0,1,0]=2 1138 B11R1.172 CC(=O)CSCc1ccoc1 Amb27672517 [0,0,0,0,0,1|2,1,0]=4 1139 B11R1.172 CC(=O)NCCc1ccco1 Amb8336373 [0,0,0,0,0,1|1,0,0]=2 1140 B11R1.172 CC(=O)NCCc1ccoc1 Amb22643451 [0,0,0,0,0,1|3,0,0]=4 1141 B11R1.172 CC(=O)NCCn1cccc1 Amb2409180 [0,0,0,0,0,1|3,0,0]=4 1142 B11R1.172 CC(=O)NOCc1ccon1 Amb28205727 [0,0,0,0,0,1|2,0,0]=3 1143 B11R1.172 CC(=O)NOCc1nccs1 Amb28139406 [0,0,0,0,0,1|1,1,0]=3 1144 B11R1.172 CC(=O)N\C=C\c1ccco1 Amb28143852 [0,0,0,0,0,1|1,0,1]=3 1145 B11R1.172 CC(=O)N\N=C\c1ccco1 Amb6883602 [0,0,0,0,0,1|1,0,1]=3 1146 B11R1.172 CC(=O)N\N=C\c1cccs1 Amb3359974 [0,0,0,0,0,1|1,1,1]=4 1147 B11R1.172 CC(=O)OCCc1ccco1 Amb27272289 [0,0,0,0,0,1|0,0,0]=1 1148 B11R1.172 CC(=O)OCCc1cccs1 Amb24756179 [0,0,0,0,0,1|0,1,0]=2 1149 B11R1.172 CC(=O)OCCc1cscn1 Amb27989529 [0,0,0,0,0,1|2,0,0]=3 1150 B11R1.172 CC(=O)OCSc1cccs1 Amb27270358 [0,0,0,0,0,1|0,1,0]=2 1151 B11R1.172 CC(=O)OCSc1nccs1 Amb27270360 [0,0,0,0,0,1|1,1,0]=3 1152 B11R1.172 CC(=O)OCSc1nncs1 Amb27270361 [0,0,0,0,0,1|2,1,0]=4 1153 B11R1.172 CC(C)=CCCc1ccco1 Amb35709490 [0,0,0,0,0,1|2,0,0]=3 1154 B11R1.172 CC(C)=CCCc1cccs1 Amb30023890 [0,0,0,0,0,1|2,1,0]=4 1155 B11R1.172 CC(C)=CCSc1cccs1 Amb27840166 [0,0,0,0,0,1|2,1,0]=4 1156 B11R1.172 CC(C)=CCSc1ncco1 Amb27839919 [0,0,0,0,0,1|3,0,0]=4 1157 B11R1.172 CC(C)CNCc1ccco1 Amb1114742 [0,0,0,0,0,1|2,0,1]=4 1158 B11R1.172 CC(C)CNCc1ccco1 Amb6867990 [0,0,0,0,0,1|2,0,1]=4 1159 B11R1.172 CC(C)NCCc1ccco1 Amb9249972 [0,0,0,0,0,1|2,0,1]=4 1160 B11R1.172 CC(C)O\N=C\c1ccco1 Amb27761424 [0,0,0,0,0,1|1,0,2]=4 1161 B11R1.172 CC(N)CCCc1ccco1 Amb17232123 [0,0,0,0,0,1|2,0,1]=4 1162 B11R1.172 CC(N)COCc1cccs1 Amb27670875 [0,0,0,0,0,1|1,1,1]=4 1163 B11R1.172 CC(O)CNCc1ccco1 Amb2592328 [0,0,0,0,0,1|1,0,2]=4 1164 B11R1.172 CC(O)COCc1ccco1 Amb4056393 [0,0,0,0,0,1|0,0,2]=3 1165 B11R1.172 CS(=O)CCSc1cccs1 Amb27272267 [0,0,0,0,0,1|2,1,0]=4 1166 B11R1.172 C[C@@H](N)CNCc1ccco1 Amb27270033 [0,0,0,0,0,1|2,0,1]=4 1167 B11R1.172 C[C@@H](N)CSCc1ccco1 Amb28386913 [0,0,0,0,0,1|1,1,1]=4 1168 B11R1.172 C[C@H](N)CNCc1ccco1 Amb27270036 [0,0,0,0,0,1|2,0,1]=4 1169 B11R1.172 C[C@H](N)CSCc1ccco1 Amb28386912 [0,0,0,0,0,1|1,1,1]=4 1170 B11R1.172 N=C(N)SSCc1ccco1 Amb27818761 [0,0,0,0,0,1|2,1,0]=4 1171 B11R1.172 NC(=O)CCCc1cccs1 Amb8858354 [0,0,0,0,0,1|2,1,0]=4 1172 B11R1.172 NC(=O)CNCc1ccco1 Amb1131866 [0,0,0,0,0,1|2,0,0]=3 1173 B11R1.172 NC(=O)CNCc1cccs1 Amb1139535 [0,0,0,0,0,1|2,1,0]=4 1174 B11R1.172 NC(=O)CNCc1ccno1 Amb27988000 [0,0,0,0,0,1|3,0,0]=4 1175 B11R1.172 NC(=O)COCc1cccs1 Amb18806841 [0,0,0,0,0,1|1,1,0]=3 1176 B11R1.172 NC(=O)NCCc1cccs1 Amb1089616 [0,0,0,0,0,1|2,1,0]=4 1177 B11R1.172 NC(=O)NOCc1ccno1 Amb27451559 [0,0,0,0,0,1|2,0,0]=3 1178 B11R1.172 NC(=O)N\N=C\c1ccco1 Amb27399961 [0,0,0,0,0,1|2,0,1]=4 1179 B11R1.172 NC(=O)OCCn1cccc1 Amb27271168 [0,0,0,0,0,1|3,0,0]=4 1180 B11R1.172 O=C(Cl)NCCc1ccco1 Amb35625501 [0,0,0,0,0,1|2,0,0]=3 1181 B11R1.172 O=C(Cl)NCCc1cccs1 Amb35625498 [0,0,0,0,0,1|2,1,0]=4 1182 B11R1.172 O=C(Cl)OCCc1cccs1 Amb27269565 [0,0,0,0,0,1|1,1,0]=3 1183 B11R1.172 O=C(Cl)OCCc1ccoc1 Amb33297070 [0,0,0,0,0,1|3,0,0]=4 1184 B11R1.172 O=C(Cl)OCCc1ccsc1 Amb27989801 [0,0,0,0,0,1|3,0,0]=4 1185 B11R1.172 O=C(O)CC#Cc1ccco1 Amb25229145 [0,0,0,0,0,1|2,0,1]=4 1186 B11R1.172 O=C(O)CCCc1ccco1 Amb18125675 [0,0,0,0,0,1|2,0,0]=3 1187 B11R1.172 O=C(O)CCCc1cccs1 Amb1152340 [0,0,0,0,0,1|2,1,0]=4 1188 B11R1.172 O=C(O)CCCc1ccno1 Amb18200545 [0,0,0,0,0,1|3,0,0]=4 1189 B11R1.172 O=C(O)CCCc1cnco1 Amb18200538 [0,0,0,0,0,1|3,0,0]=4 1190 B11R1.172 O=C(O)CCCc1ncco1 Amb18559420 [0,0,0,0,0,1|3,0,0]=4 1191 B11R1.172 O=C(O)CCSc1cccs1 Amb6717244 [0,0,0,0,0,1|2,1,0]=4 1192 B11R1.172 O=C(O)CNCc1ccco1 Amb2592332 [0,0,0,0,0,1|2,0,0]=3 1193 B11R1.172 O=C(O)CNCc1cccs1 Amb8827556 [0,0,0,0,0,1|2,1,0]=4 1194 B11R1.172 O=C(O)CNCc1ccno1 Amb9325921 [0,0,0,0,0,1|3,0,0]=4 1195 B11R1.172 O=C(O)COCc1cccs1 Amb19015456 [0,0,0,0,0,1|1,1,0]=3 1196 B11R1.172 O=C(O)COCc1ccsc1 Amb27271137 [0,0,0,0,0,1|3,0,0]=4 1197 B11R1.172 O=C(O)COCc1cncs1 Amb27986318 [0,0,0,0,0,1|2,1,0]=4 1198 B11R1.172 O=C(O)COCc1nccs1 Amb23570603 [0,0,0,0,0,1|2,1,0]=4 1199 B11R1.172 O=C(O)COCc1ncno1 Amb18306338 [0,0,0,0,0,1|3,0,0]=4 1200 B11R1.172 O=C(O)CSCc1ccco1 Amb2721897 [0,0,0,0,0,1|1,1,0]=3 1201 B11R1.172 O=C(O)CSCc1cccs1 Amb423757 [0,0,0,0,0,1|1,2,0]=4 1202 B11R1.172 O=C(O)\C=C\Cc1ccco1 Amb25060755 [0,0,0,0,0,1|2,0,0]=3 1203 B11R1.172 O=C(O)\C=C\Cc1cccs1 Amb25989107 [0,0,0,0,0,1|2,1,0]=4 1204 B11R1.172 O=C([O-])CCCc1cccs1 Amb33513078 [0,0,0,0,0,1|2,1,0]=4 1205 B11R1.172 O=C([O-])COCc1ccco1 Amb10610157 [0,0,0,0,0,1|1,0,0]=2 1206 B11R1.172 O=[N+]([O-])CSCc1ccco1 Amb27988716 [0,0,0,0,0,1|2,1,0]=4 1207 B8R0.4 O=CCC\C=C/C=C/Br Amb27484031 [1,0,1,0,0,0|2,0,0]=4 1208 B8R0.7 C=CC=C=CCC(=O)O Amb28120587 [1,0,1,0,0,0|2,0,0]=4 1209 B8R0.7 C=CCCCOC(C)=O Amb6366589 [1,0,1,0,0,0|0,0,2]=4 1210 B8R0.7 C=COCCSC(C)=O Amb35788457 [1,0,1,0,0,0|0,1,1]=4 1211 B8R0.7 C=C\C=C\CCC(=O)O Amb10605294 [1,0,1,0,0,0|2,0,0]=4 1212 B8R0.7 C=C\C=C\COC(N)=O Amb25991296 [1,0,1,0,0,0|1,0,0]=3 1213 B8R0.7 CC(=O)CC\C=C/CO Amb27828969 [1,0,1,0,0,0|0,0,2]=4 1214 B8R0.7 CC(=O)CC\C=C\C=O Amb26875051 [1,0,1,0,0,0|0,0,2]=4 1215 B8R0.7 CC(=O)CN\C=C\C=O Amb18642499 [1,0,1,0,0,0|1,0,1]=4 1216 B8R0.7 CC\C=C\COC(C)=O Amb27487199 [1,0,1,0,0,0|0,0,2]=4 1217 B8R0.7 C\C=C\C=C\CC(=O)O Amb27755824 [1,0,1,0,0,0|2,0,0]=4 1218 B8R0.7 C\C=C\C=C\CC(C)=O Amb27248237 [1,0,1,0,0,0|1,0,0]=3 1219 B8R0.7 C\C=C\C=C\CC(N)=O Amb27251723 [1,0,1,0,0,0|2,0,0]=4 1220 B8R0.7 C\C=C\OCCC(C)=O Amb24631670 [1,0,1,0,0,0|0,0,2]=4 1221 B8R0.9 C=CC(=C)CCC(=O)O Amb18642412 [1,0,1,0,0,0|2,0,0]=4 1222 B8R0.9 C=CC(=O)COC(C)=O Amb17607380 [1,0,1,0,0,0|0,0,1]=3 1223 B8R0.9 C=CC(Cl)COC(C)=O Amb27860523 [1,0,1,0,0,0|1,0,1]=4 1224 B8R0.9 CC(=O)OC\C(C)=C/Cl Amb27793522 [1,0,1,0,0,0|1,0,1]=4 1225 B8R0.9 CC(=O)OC\C(C)=C\Br Amb27803059 [1,0,1,0,0,0|1,0,1]=4 1226 B8R0.9 CC(=O)OC\C(Cl)=C/Cl Amb27768652 [1,0,1,0,0,0|2,0,0]=4 1227 B8R0.9 COC(=O)COC(C)=O Amb28049254 [1,0,1,0,0,0|1,0,1]=4 1228 B8R1.8 BrCCc1ccco1 Amb22752866 [2,0,0,0,0,0|1,0,1]=4 1229 B8R1.8 Br\C=C\c1ccco1 Amb33134803 [2,0,0,0,0,0|1,0,1]=4 1230 B8R1.8 C#CCc1ccco1 Amb26445263 [2,0,0,0,0,0|0,0,2]=4 1231 B8R1.8 C#NCc1ccco1 Amb31132339 [2,0,0,0,0,0|1,0,1]=4 1232 B8R1.8 C=C=Cc1ccco1 Amb27638814 [2,0,0,0,0,0|1,0,1]=4 1233 B8R1.8 C=CCc1ccco1 Amb26612842 [2,0,0,0,0,0|0,0,1]=3 1234 B8R1.8 C=CCc1cccs1 Amb27882648 [2,0,0,0,0,0|0,1,1]=4 1235 B8R1.8 C=NCc1ccco1 Amb28287800 [2,0,0,0,0,0|1,0,0]=3 1236 B8R1.8 C=NCc1cccs1 Amb27964411 [2,0,0,0,0,0|1,1,0]=4 1237 B8R1.8 CCCc1ccco1 Amb10070288 [2,0,0,0,0,0|0,0,1]=3 1238 B8R1.8 CCCc1cccs1 Amb2690417 [2,0,0,0,0,0|0,1,1]=4 1239 B8R1.8 CCCc1cnco1 Amb35647887 [2,0,0,0,0,0|1,0,1]=4 1240 B8R1.8 CCNc1ccco1 Amb27593280 [2,0,0,0,0,0|1,0,1]=4 1241 B8R1.8 CCOc1ncco1 Amb28196629 [2,0,0,0,0,0|1,0,1]=4 1242 B8R1.8 CCSc1ccco1 Amb27667158 [2,0,0,0,0,0|0,1,1]=4 1243 B8R1.8 CNCc1ccco1 Amb1153202 [2,0,0,0,0,0|1,0,0]=3 1244 B8R1.8 CNCc1ccco1 Amb7172520 [2,0,0,0,0,0|1,0,0]=3 1245 B8R1.8 CNCc1cccs1 Amb1152299 [2,0,0,0,0,0|1,1,0]=4 1246 B8R1.8 CNCc1cccs1 Amb6344856 [2,0,0,0,0,0|1,1,0]=4 1247 B8R1.8 CNCc1ccno1 Amb8009694 [2,0,0,0,0,0|2,0,0]=4 1248 B8R1.8 CNCc1cnco1 Amb8009703 [2,0,0,0,0,0|2,0,0]=4 1249 B8R1.8 CNCc1ncco1 Amb8009701 [2,0,0,0,0,0|2,0,0]=4 1250 B8R1.8 COCc1ccco1 Amb24116969 [2,0,0,0,0,0|0,0,0]=2 1251 B8R1.8 COCc1cccs1 Amb25169518 [2,0,0,0,0,0|0,1,0]=3 1252 B8R1.8 COCc1ccno1 Amb28316180 [2,0,0,0,0,0|1,0,0]=3 1253 B8R1.8 COCc1ccns1 Amb33456878 [2,0,0,0,0,0|1,1,0]=4 1254 B8R1.8 COCc1ccsc1 Amb28051701 [2,0,0,0,0,0|2,0,0]=4 1255 B8R1.8 COCc1cnco1 Amb35652247 [2,0,0,0,0,0|1,0,0]=3 1256 B8R1.8 COCc1cscn1 Amb27404957 [2,0,0,0,0,0|2,0,0]=4 1257 B8R1.8 COCn1cccc1 Amb23401113 [2,0,0,0,0,0|2,0,0]=4 1258 B8R1.8 COCn1cccn1 Amb22546249 [2,0,0,0,0,0|2,0,0]=4 1259 B8R1.8 CO[SiH2]c1ccco1 Amb27215529 [2,0,0,0,0,0|0,1,0]=3 1260 B8R1.8 CSCc1ccco1 Amb8393158 [2,0,0,0,0,0|0,1,0]=3 1261 B8R1.8 CSCc1ccno1 Amb28454927 [2,0,0,0,0,0|1,1,0]=4 1262 B8R1.8 ICCc1ccco1 Amb27224391 [2,0,0,0,0,0|1,0,1]=4 1263 B8R1.8 I\C=C\c1ccco1 Amb24697510 [2,0,0,0,0,0|1,0,1]=4 1264 B8R1.8 N#CCc1ccco1 Amb9210908 [2,0,0,0,0,0|1,0,1]=4 1265 B8R1.8 NCCc1ccco1 Amb1080943 [2,0,0,0,0,0|1,0,1]=4 1266 B8R1.8 NCCc1ccco1 Amb22587649 [2,0,0,0,0,0|1,0,1]=4 1267 B8R1.8 NNCc1ccco1 Amb29848033 [2,0,0,0,0,0|2,0,0]=4 1268 B8R1.8 NNCc1ccco1 Amb6246463 [2,0,0,0,0,0|2,0,0]=4 1269 B8R1.8 NOCc1ccco1 Amb25141783 [2,0,0,0,0,0|1,0,0]=3 1270 B8R1.8 NOCc1cccs1 Amb25189036 [2,0,0,0,0,0|1,1,0]=4 1271 B8R1.8 NOCc1cnco1 Amb33414840 [2,0,0,0,0,0|2,0,0]=4 1272 B8R1.8 N\C=C\c1ccco1 Amb28367758 [2,0,0,0,0,0|1,0,1]=4 1273 B8R1.8 O=C=Nc1ccco1 Amb6272977 [2,0,0,0,0,0|1,0,1]=4 1274 B8R1.8 O=CCc1ccco1 Amb17089526 [2,0,0,0,0,0|0,0,0]=2 1275 B8R1.8 O=CCc1cccs1 Amb17089527 [2,0,0,0,0,0|0,1,0]=3 1276 B8R1.8 O=CCc1ccno1 Amb28060201 [2,0,0,0,0,0|1,0,0]=3 1277 B8R1.8 O=CCc1ccoc1 Amb18641576 [2,0,0,0,0,0|2,0,0]=4 1278 B8R1.8 O=CCc1ccon1 Amb26390824 [2,0,0,0,0,0|2,0,0]=4 1279 B8R1.8 O=CCc1ccsc1 Amb26603755 [2,0,0,0,0,0|2,0,0]=4 1280 B8R1.8 O=CCc1ccsn1 Amb27190366 [2,0,0,0,0,0|2,0,0]=4 1281 B8R1.8 O=CCc1cnco1 Amb24653904 [2,0,0,0,0,0|1,0,0]=3 1282 B8R1.8 O=CCc1cncs1 Amb28316235 [2,0,0,0,0,0|1,1,0]=4 1283 B8R1.8 O=CCc1cscn1 Amb24469342 [2,0,0,0,0,0|2,0,0]=4 1284 B8R1.8 O=CCc1ncco1 Amb26946687 [2,0,0,0,0,0|1,0,0]=3 1285 B8R1.8 O=CCc1nccs1 Amb26856976 [2,0,0,0,0,0|1,1,0]=4 1286 B8R1.8 O=CCn1cccc1 Amb18203408 [2,0,0,0,0,0|2,0,0]=4 1287 B8R1.8 O=CCn1cccn1 Amb32411521 [2,0,0,0,0,0|2,0,0]=4 1288 B8R1.8 O=CNc1ccco1 Amb28135036 [2,0,0,0,0,0|1,0,0]=3 1289 B8R1.8 O=CNc1cccs1 Amb28282647 [2,0,0,0,0,0|1,1,0]=4 1290 B8R1.8 O=COc1ccco1 Amb27591421 [2,0,0,0,0,0|0,0,0]=2 1291 B8R1.8 O=COc1cccs1 Amb27798954 [2,0,0,0,0,0|0,1,0]=3 1292 B8R1.8 OCCc1ccco1 Amb17089516 [2,0,0,0,0,0|0,0,2]=4 1293 B8R1.8 ONCc1ccco1 Amb23449450 [2,0,0,0,0,0|1,0,1]=4 1294 B8R1.8 SCCc1ccco1 Amb24511324 [2,0,0,0,0,0|0,1,1]=4 1295 B8R1.8 SCOc1ccco1 Amb28130026 [2,0,0,0,0,0|0,1,1]=4 1296 B8R1.8 [C-]#[N+]Cc1ccco1 Amb1981056 [2,0,0,0,0,0|1,0,1]=4 1297 B10R0.3 C\C=C\C(=O)\C=C\OC(C)=O Amb27269947 [0,1,1,0,0,0|1,0,1]=4 1298 B10R0.3 C\C=C\C(Cl)=C\CCC(C)=O Amb27673570 [0,1,1,0,0,0|2,0,0]=4 1299 B10R0.4 C\C=C\C\C=C\CNC(C)=O Amb28080123 [0,1,1,0,0,0|2,0,0]=4 1300 B10R0.6 C\C=C\C=C\[C@@H](O)CC(C)=O Amb27673835 [0,1,1,0,0,0|2,0,0]=4 1301 B10R0.74 COC(=O)NC\C=C\C=C\Cl Amb27990144 [0,1,1,0,0,0|2,0,0]=4 1302 B10R0.97 CC(=O)CC\C=C\C=C(C)C Amb27673795 [0,1,1,0,0,0|2,0,0]=4 1303 B10R0.97 CC(=O)N\C=C\C=C\C(=O)O Amb27983773 [0,1,1,0,0,0|1,0,1]=4 1304 B10R0.32 C\C=C\C(=O)C(C)OC(C)=O Amb27673563 [0,1,1,0,0,0|0,0,2]=4 1305 B10R0.32 C\C=C\C(=O)[C@H](C)OC(C)=O Amb27673755 [0,1,1,0,0,0|0,0,2]=4 1306 B10R0.57 C=C\C(Cl)=C(/C)CCC(C)=O Amb28080348 [0,1,1,0,0,0|2,0,0]=4 1307 B10R0.57 C=C\C(Cl)=C(\C)CCC(C)=O Amb27672625 [0,1,1,0,0,0|2,0,0]=4 1308 B10R0.96 CC(=O)OCC(=O)C=C(C)C Amb27673722 [0,1,1,0,0,0|0,0,2]=4 1309 B10R1.11 C=CCC(O)c1ccco1 Amb22360627 [1,1,0,0,0,0|1,0,1]=4 1310 B10R1.11 CC(CC=O)c1ccco1 Amb17593491 [1,1,0,0,0,0|1,0,0]=3 1311 B10R1.11 CC(N=C=O)c1ccco1 Amb25702120 [1,1,0,0,0,0|1,0,1]=4 1312 B10R1.11 CCCC(Cl)c1ccco1 Amb17138479 [1,1,0,0,0,0|1,0,1]=4 1313 B10R1.11 CCCC(N)c1ccco1 Amb18991109 [1,1,0,0,0,0|1,0,1]=4 1314 B10R1.11 CCCC(N)c1ccco1 Amb35745825 [1,1,0,0,0,0|1,0,1]=4 1315 B10R1.11 CCCC(O)c1ccco1 Amb4139715 [1,1,0,0,0,0|1,0,1]=4 1316 B10R1.11 CCNC(C)c1ccco1 Amb6276681 [1,1,0,0,0,0|1,0,1]=4 1317 B10R1.11 CCOC(=N)c1ccco1 Amb27837592 [1,1,0,0,0,0|0,0,2]=4 1318 B10R1.11 CCOC(=O)c1ccco1 Amb2725474 [1,1,0,0,0,0|0,0,2]=4 1319 B10R1.11 CNCC(O)c1ccco1 Amb5750893 [1,1,0,0,0,0|2,0,0]=4 1320 B10R1.11 CNC[C@@H](O)c1ccco1 Amb26968688 [1,1,0,0,0,0|2,0,0]=4 1321 B10R1.11 COCC(N)c1ccco1 Amb1126956 [1,1,0,0,0,0|2,0,0]=4 1322 B10R1.11 COC[C@H](N)c1ccco1 Amb28250819 [1,1,0,0,0,0|2,0,0]=4 1323 B10R1.11 CONC(C)c1ccco1 Amb27425113 [1,1,0,0,0,0|2,0,0]=4 1324 B10R1.11 CSCC(Cl)c1ccco1 Amb27847565 [1,1,0,0,0,0|2,0,0]=4 1325 B10R1.11 CSCC(N)c1ccco1 Amb24502407 [1,1,0,0,0,0|2,0,0]=4 1326 B10R1.11 CSCC(O)c1ccco1 Amb25703539 [1,1,0,0,0,0|2,0,0]=4 1327 B10R1.11 C[C@@H](NC=O)c1ccco1 Amb27485041 [1,1,0,0,0,0|1,0,0]=3 1328 B10R1.11 C\C=C\[C@@H](O)c1ccco1 Amb27978317 [1,1,0,0,0,0|1,0,0]=3 1329 B10R1.11 O=CCC(=O)c1ccco1 Amb9204969 [1,1,0,0,0,0|1,0,1]=4 1330 B10R1.16 C=CCCc1ccc(C)o1 Amb22339450 [1,1,0,0,0,0|1,0,1]=4 1331 B10R1.16 CCCCc1ccc(C)o1 Amb4018006 [1,1,0,0,0,0|1,0,1]=4 1332 B10R1.16 CCNCc1cc(Br)co1 Amb27652399 [1,1,0,0,0,0|1,0,1]=4 1333 B10R1.16 CCNCc1ccc(Br)o1 Amb6275503 [1,1,0,0,0,0|1,0,1]=4 1334 B10R1.16 CCNCc1ccc(C)o1 Amb21959933 [1,1,0,0,0,0|1,0,1]=4 1335 B10R1.16 CCNCc1ccc(C)o1 Amb2592074 [1,1,0,0,0,0|1,0,1]=4 1336 B10R1.16 CCNCc1ccc(Cl)o1 Amb18288966 [1,1,0,0,0,0|1,0,1]=4 1337 B10R1.16 CCNCc1ccc(I)o1 Amb9621228 [1,1,0,0,0,0|1,0,1]=4 1338 B10R1.16 CCNCc1ccc(N)o1 Amb18625539 [1,1,0,0,0,0|1,0,1]=4 1339 B10R1.16 CCOCc1cc(Br)cs1 Amb26931676 [1,1,0,0,0,0|0,1,1]=4 1340 B10R1.16 CCOCc1ccc(Br)s1 Amb28063107 [1,1,0,0,0,0|0,1,1]=4 1341 B10R1.16 CCSCc1ccc(Br)o1 Amb27409997 [1,1,0,0,0,0|0,1,1]=4 1342 B10R1.16 CNCCc1cc(Br)co1 Amb33431202 [1,1,0,0,0,0|2,0,0]=4 1343 B10R1.16 CNCCc1ccc(Br)o1 Amb26421015 [1,1,0,0,0,0|2,0,0]=4 1344 B10R1.16 CNCCc1ccc(C)o1 Amb25130668 [1,1,0,0,0,0|2,0,0]=4 1345 B10R1.16 CNCCc1ccc(Cl)o1 Amb26605863 [1,1,0,0,0,0|2,0,0]=4 1346 B10R1.16 CNCCc1ccc(F)o1 Amb28195954 [1,1,0,0,0,0|2,0,0]=4 1347 B10R1.16 CONCc1ccc(C)o1 Amb25782479 [1,1,0,0,0,0|2,0,0]=4 1348 B10R1.16 CSCCc1ccc(C)o1 Amb27185996 [1,1,0,0,0,0|2,0,0]=4 1349 B10R1.16 C\C=C\Sc1ccc(C)o1 Amb27778637 [1,1,0,0,0,0|2,0,0]=4 1350 B10R1.16 Cc1cc(CCC=O)on1 Amb33326420 [1,1,0,0,0,0|2,0,0]=4 1351 B10R1.16 Cc1ccc(CCC=O)o1 Amb2794106 [1,1,0,0,0,0|1,0,0]=3 1352 B10R1.16 Cc1ccc(CCC=O)s1 Amb24720268 [1,1,0,0,0,0|1,1,0]=4 1353 B10R1.16 Cc1ccc(CN=C=O)o1 Amb19648776 [1,1,0,0,0,0|1,0,1]=4 1354 B10R1.16 Cc1ccc(CNC=O)o1 Amb27238043 [1,1,0,0,0,0|1,0,0]=3 1355 B10R1.16 Cc1ccc(\C=C\C=O)o1 Amb17593442 [1,1,0,0,0,0|1,0,1]=4 1356 B10R1.16 Cc1csc(CCC=O)c1 Amb33373461 [1,1,0,0,0,0|1,1,0]=4 1357 B10R1.16 Cc1csc(CNC=O)c1 Amb27185562 [1,1,0,0,0,0|1,1,0]=4 1358 B10R1.16 Cc1ncc(CNC=O)o1 Amb28073187 [1,1,0,0,0,0|2,0,0]=4 1359 B10R1.16 O=C=NCc1cc(Br)co1 Amb33431529 [1,1,0,0,0,0|1,0,1]=4 1360 B10R1.16 O=C=NCc1ccc(Br)o1 Amb24646002 [1,1,0,0,0,0|1,0,1]=4 1361 B10R1.16 O=C=NCc1ccc(Cl)o1 Amb33258314 [1,1,0,0,0,0|1,0,1]=4 1362 B10R1.16 O=CCCc1cc(Br)co1 Amb33431940 [1,1,0,0,0,0|1,0,0]=3 1363 B10R1.16 O=CCCc1cc(Br)cs1 Amb26363941 [1,1,0,0,0,0|1,1,0]=4 1364 B10R1.16 O=CCCc1cc(Cl)cs1 Amb33058557 [1,1,0,0,0,0|1,1,0]=4 1365 B10R1.16 O=CCCc1ccc(Br)o1 Amb24690247 [1,1,0,0,0,0|1,0,0]=3 1366 B10R1.16 O=CCCc1ccc(Br)s1 Amb26913485 [1,1,0,0,0,0|1,1,0]=4 1367 B10R1.16 O=CCCc1ccc(Cl)o1 Amb26916053 [1,1,0,0,0,0|1,0,0]=3 1368 B10R1.16 O=CCCc1ccc(Cl)s1 Amb18803947 [1,1,0,0,0,0|1,1,0]=4 1369 B10R1.16 O=CCCc1ccc(F)o1 Amb27240180 [1,1,0,0,0,0|1,0,0]=3 1370 B10R1.16 O=CNCc1ccc(Cl)o1 Amb35635341 [1,1,0,0,0,0|1,0,0]=3 1371 B10R1.16 O=C\C=C\c1cc(Br)co1 Amb33431864 [1,1,0,0,0,0|1,0,1]=4 1372 B10R1.16 O=C\C=C\c1ccc(Br)o1 Amb18130678 [1,1,0,0,0,0|1,0,1]=4 1373 B10R1.16 O=C\C=C\c1ccc(Cl)o1 Amb18644875 [1,1,0,0,0,0|1,0,1]=4 1374 B10R1.21 C=CCNCc1ccco1 Amb19890257 [1,1,0,0,0,0|1,0,1]=4 1375 B10R1.21 C=CCNCc1ccco1 Amb5261474 [1,1,0,0,0,0|1,0,1]=4 1376 B10R1.21 C=CCSCc1ccco1 Amb26336655 [1,1,0,0,0,0|0,1,1]=4 1377 B10R1.21 C=COCCc1cccs1 Amb28342200 [1,1,0,0,0,0|0,1,1]=4 1378 B10R1.21 CCCCCc1ccco1 Amb8393189 [1,1,0,0,0,0|1,0,1]=4 1379 B10R1.21 CCCNCc1ccco1 Amb1127967 [1,1,0,0,0,0|1,0,1]=4 1380 B10R1.21 CCCNCc1ccco1 Amb19890265 [1,1,0,0,0,0|1,0,1]=4 1381 B10R1.21 CCCSCc1ccco1 Amb24430614 [1,1,0,0,0,0|0,1,1]=4 1382 B10R1.21 CCONCc1cccs1 Amb27838991 [1,1,0,0,0,0|0,1,1]=4 1383 B10R1.21 CCO\N=C\c1ccco1 Amb26411540 [1,1,0,0,0,0|0,0,2]=4 1384 B10R1.21 CC\C=C\Cc1ccco1 Amb24558353 [1,1,0,0,0,0|1,0,0]=3 1385 B10R1.21 CNCCCc1ccco1 Amb534654 [1,1,0,0,0,0|1,0,1]=4 1386 B10R1.21 CSCOCc1ccco1 Amb27186358 [1,1,0,0,0,0|0,0,1]=3 1387 B10R1.21 C\C=C\C#Cc1ccco1 Amb27191763 [1,1,0,0,0,0|1,0,1]=4 1388 B10R1.21 C\C=C\CSc1ncco1 Amb27424942 [1,1,0,0,0,0|2,0,0]=4 1389 B10R1.21 ClCCCCc1ccco1 Amb17138477 [1,1,0,0,0,0|1,0,1]=4 1390 B10R1.21 ClCCNCc1ccco1 Amb17334486 [1,1,0,0,0,0|1,0,1]=4 1391 B10R1.21 ClCCOCc1cccs1 Amb18795876 [1,1,0,0,0,0|0,1,1]=4 1392 B10R1.21 Cl\C=C\SCc1ccco1 Amb27219625 [1,1,0,0,0,0|0,1,1]=4 1393 B10R1.21 NCCCCc1ccco1 Amb5735488 [1,1,0,0,0,0|1,0,1]=4 1394 B10R1.21 NCCNCc1ccco1 Amb17091023 [1,1,0,0,0,0|1,0,1]=4 1395 B10R1.21 NCCSCc1ccco1 Amb2721849 [1,1,0,0,0,0|0,1,1]=4 1396 B10R1.21 O=C=NCCc1ccco1 Amb17231900 [1,1,0,0,0,0|1,0,1]=4 1397 B10R1.21 O=CCCCc1ccco1 Amb28050259 [1,1,0,0,0,0|1,0,0]=3 1398 B10R1.21 O=CCCCc1cccs1 Amb17089166 [1,1,0,0,0,0|1,1,0]=4 1399 B10R1.21 O=CCCCc1cnco1 Amb24478357 [1,1,0,0,0,0|2,0,0]=4 1400 B10R1.21 O=CCCSc1cccs1 Amb17082969 [1,1,0,0,0,0|1,1,0]=4 1401 B10R1.21 O=CNCCc1cccs1 Amb28141381 [1,1,0,0,0,0|1,1,0]=4 1402 B10R1.21 O=CN\N=C\c1ccco1 Amb28184754 [1,1,0,0,0,0|1,0,1]=4 1403 B10R1.21 O=CO\C=C\c1ccco1 Amb28436284 [1,1,0,0,0,0|0,0,1]=3 1404 B10R1.21 OCCCCc1ccco1 Amb17106038 [1,1,0,0,0,0|1,0,1]=4 1405 B10R1.21 OCCNCc1ccco1 Amb2592326 [1,1,0,0,0,0|1,0,1]=4 1406 B10R1.21 SCCCCc1ccco1 Amb18563472 [1,1,0,0,0,0|1,0,1]=4 1407 B10R1.21 SCCNCc1ccco1 Amb18644955 [1,1,0,0,0,0|1,0,1]=4 1408 B10R1.21 SCCSCc1ccco1 Amb27632177 [1,1,0,0,0,0|0,1,1]=4 1409 B10R1.21 [NH3+]CCSCc1ccco1 Amb33513003 [1,1,0,0,0,0|0,1,1]=4 1410 B10R1.27 C=CC(=O)Cc1ccco1 Amb27476270 [1,1,0,0,0,0|1,0,1]=4 1411 B10R1.27 CCC(=O)Cc1ccco1 Amb1102322 [1,1,0,0,0,0|1,0,1]=4 1412 B10R1.27 CCC(N)Cc1ccco1 Amb9428897 [1,1,0,0,0,0|1,0,1]=4 1413 B10R1.27 CN(C=O)Cc1cccs1 Amb27667566 [1,1,0,0,0,0|1,1,0]=4 1414 B10R1.27 CNC(C)Cc1ccco1 Amb5735446 [1,1,0,0,0,0|2,0,0]=4 1415 B10R1.27 CSC(=O)Cc1ccco1 Amb27843701 [1,1,0,0,0,0|2,0,0]=4 1416 B10R1.27 C[C@H](C=O)Cc1ccco1 Amb27861368 [1,1,0,0,0,0|1,0,0]=3 1417 B10R1.27 C\C(C=O)=C/c1ccco1 Amb3599297 [1,1,0,0,0,0|1,0,1]=4 1418 B10R1.27 C\C(C=O)=C\c1ccco1 Amb2792767 [1,1,0,0,0,0|1,0,1]=4 1419 B10R1.27 O=CC(=O)Cc1ccco1 Amb27180510 [1,1,0,0,0,0|1,0,0]=3 1420 B10R1.27 O=CC(O)Cc1ccco1 Amb27174865 [1,1,0,0,0,0|1,0,0]=3 1421 B10R1.27 O=C\C(Cl)=C\c1ccco1 Amb27166107 [1,1,0,0,0,0|1,0,1]=4 1422 B10R1.29 C=CCCc1occc1Br Amb29863834 [1,1,0,0,0,0|1,0,1]=4 1423 B10R1.29 CCNCc1occc1Br Amb27197261 [1,1,0,0,0,0|1,0,1]=4 1424 B10R1.29 CCNCc1occc1C Amb8853709 [1,1,0,0,0,0|1,0,1]=4 1425 B10R1.29 CNCCc1occc1C Amb24608196 [1,1,0,0,0,0|2,0,0]=4 1426 B10R1.29 CONCc1occc1Br Amb28195925 [1,1,0,0,0,0|2,0,0]=4 1427 B10R1.29 Cc1ccoc1CCC=O Amb33343122 [1,1,0,0,0,0|1,0,0]=3 1428 B10R1.29 Cc1ccoc1CN=C=O Amb25057025 [1,1,0,0,0,0|1,0,1]=4 1429 B10R1.29 Cc1ccoc1\C=C\C=O Amb32954708 [1,1,0,0,0,0|1,0,1]=4 1430 B10R1.29 Cc1ccsc1CCC=O Amb26454122 [1,1,0,0,0,0|1,1,0]=4 1431 B10R1.29 Cn1cccc1CCC=O Amb26546875 [1,1,0,0,0,0|2,0,0]=4 1432 B10R1.29 O=CCCc1occc1Br Amb28194630 [1,1,0,0,0,0|1,0,0]=3 1433 B10R1.29 O=CCCc1sccc1Br Amb25838062 [1,1,0,0,0,0|1,1,0]=4 1434 B10R1.29 O=CCCc1sccc1Cl Amb26969365 [1,1,0,0,0,0|1,1,0]=4 1435 B10R1.29 O=CNCc1sccc1Br Amb28049593 [1,1,0,0,0,0|1,1,0]=4 1436 B10R1.29 O=C\C=C\c1occc1Br Amb27839525 [1,1,0,0,0,0|1,0,1]=4 1437 B10R1.23 C=C(C(=O)O)c1ccco1 Amb26317937 [0,1,0,0,1,0|1,0,1]=4 1438 B10R1.23 CC(=O)C(=O)c1ccco1 Amb27861166 [0,1,0,0,1,0|0,0,1]=3 1439 B10R1.23 CC(=O)C(=O)c1cccs1 Amb17399955 [0,1,0,0,1,0|0,1,1]=4 1440 B10R1.23 CC(=O)C(Br)c1ccco1 Amb28315902 [0,1,0,0,1,0|0,0,0]=2 1441 B10R1.23 CC(=O)C(Br)c1cccs1 Amb31193102 [0,1,0,0,1,0|0,1,0]=3 1442 B10R1.23 CC(=O)C(C)c1cocn1 Amb18832113 [0,1,0,0,1,0|2,0,0]=4 1443 B10R1.23 CC(=O)C(C)n1cccn1 Amb9664496 [0,1,0,0,1,0|2,0,0]=4 1444 B10R1.23 CC(=O)C(Cl)c1cccs1 Amb17477839 [0,1,0,0,1,0|0,1,0]=3 1445 B10R1.23 CC(=O)C(N)c1ccco1 Amb27170705 [0,1,0,0,1,0|0,0,0]=2 1446 B10R1.23 CC(=O)C(N)c1cccs1 Amb25836886 [0,1,0,0,1,0|0,1,0]=3 1447 B10R1.23 CC(=O)C(O)c1ccco1 Amb26483648 [0,1,0,0,1,0|0,0,0]=2 1448 B10R1.23 CC(=O)C(O)c1cccs1 Amb25146757 [0,1,0,0,1,0|0,1,0]=3 1449 B10R1.23 CC(=O)C(O)c1ccoc1 Amb27615043 [0,1,0,0,1,0|2,0,0]=4 1450 B10R1.23 CC(=O)[C@H](O)c1ccco1 Amb27433154 [0,1,0,0,1,0|0,0,0]=2 1451 B10R1.23 CC(Br)C(C)c1ccco1 Amb27852671 [0,1,0,0,1,0|1,0,1]=4 1452 B10R1.23 CC(C(=O)O)c1ccco1 Amb17087431 [0,1,0,0,1,0|1,0,0]=3 1453 B10R1.23 CC(C(=O)O)c1cccs1 Amb10844027 [0,1,0,0,1,0|1,1,0]=4 1454 B10R1.23 CC(C(=O)O)c1cnco1 Amb33295052 [0,1,0,0,1,0|2,0,0]=4 1455 B10R1.23 CC(C(N)=O)c1cccs1 Amb27228397 [0,1,0,0,1,0|1,1,0]=4 1456 B10R1.23 CC(C)C(Cl)c1ccco1 Amb17138478 [0,1,0,0,1,0|1,0,1]=4 1457 B10R1.23 CC(C)C(N)c1ccco1 Amb18283654 [0,1,0,0,1,0|1,0,1]=4 1458 B10R1.23 CC(C)C(N)c1ccco1 Amb35745896 [0,1,0,0,1,0|1,0,1]=4 1459 B10R1.23 CC(C)C(O)c1ccco1 Amb17138390 [0,1,0,0,1,0|1,0,1]=4 1460 B10R1.23 CC(C)[C@@H](N)c1ccco1 Amb27877435 [0,1,0,0,1,0|1,0,1]=4 1461 B10R1.23 CC(C)[C@@H](O)c1ccco1 Amb28077780 [0,1,0,0,1,0|1,0,1]=4 1462 B10R1.23 CC(Cl)C(C)c1ccco1 Amb27414114 [0,1,0,0,1,0|1,0,1]=4 1463 B10R1.23 CC(N)C(N)c1ccco1 Amb27429900 [0,1,0,0,1,0|1,0,1]=4 1464 B10R1.23 CC(O)C(C)c1ccco1 Amb24464281 [0,1,0,0,1,0|0,0,2]=4 1465 B10R1.23 CN(O)C(O)c1ccco1 Amb27756288 [0,1,0,0,1,0|1,0,1]=4 1466 B10R1.23 C[C@@H](C(=O)O)c1cccs1 Amb10844019 [0,1,0,0,1,0|1,1,0]=4 1467 B10R1.23 C[C@@H](N)C(O)c1ccco1 Amb30024560 [0,1,0,0,1,0|1,0,1]=4 1468 B10R1.23 C[C@H](C(=O)O)c1ccco1 Amb27468877 [0,1,0,0,1,0|1,0,0]=3 1469 B10R1.23 C[C@H](N)C(O)c1ccco1 Amb35737792 [0,1,0,0,1,0|1,0,1]=4 1470 B10R1.23 C[C@H](O)[C@H](O)c1ccco1 Amb27432112 [0,1,0,0,1,0|0,0,2]=4 1471 B10R1.23 NC(=O)C(=O)c1ccco1 Amb9786661 [0,1,0,0,1,0|1,0,1]=4 1472 B10R1.23 NC(=O)C(N)c1ccco1 Amb17334171 [0,1,0,0,1,0|1,0,0]=3 1473 B10R1.23 NC(=O)C(N)c1cccs1 Amb17334394 [0,1,0,0,1,0|1,1,0]=4 1474 B10R1.23 NC(=O)C(O)c1ccco1 Amb25084322 [0,1,0,0,1,0|1,0,0]=3 1475 B10R1.23 NC(=O)[C@H](O)c1ccco1 Amb27874920 [0,1,0,0,1,0|1,0,0]=3 1476 B10R1.23 NC(C(=O)O)c1ccco1 Amb2696257 [0,1,0,0,1,0|1,0,0]=3 1477 B10R1.23 NC(C(=O)O)c1cccs1 Amb1840251 [0,1,0,0,1,0|1,1,0]=4 1478 B10R1.23 NC(C(=O)O)c1cnco1 Amb18202656 [0,1,0,0,1,0|2,0,0]=4 1479 B10R1.23 N[C@@H](C(=O)O)c1cccs1 Amb22747193 [0,1,0,0,1,0|1,1,0]=4 1480 B10R1.23 N[C@H](C(=O)O)c1ccco1 Amb4296942 [0,1,0,0,1,0|1,0,0]=3 1481 B10R1.23 N[C@H](C(=O)O)c1cccs1 Amb2694806 [0,1,0,0,1,0|1,1,0]=4 1482 B10R1.23 O=C(Cl)C(=O)c1ccco1 Amb28126625 [0,1,0,0,1,0|1,0,1]=4 1483 B10R1.23 O=C(O)C(=O)c1ccco1 Amb9786662 [0,1,0,0,1,0|1,0,1]=4 1484 B10R1.23 O=C(O)C(Cl)c1cccs1 Amb17233234 [0,1,0,0,1,0|1,1,0]=4 1485 B10R1.23 O=C(O)C(F)c1ccco1 Amb25825778 [0,1,0,0,1,0|1,0,0]=3 1486 B10R1.23 O=C(O)C(F)c1cccs1 Amb28193693 [0,1,0,0,1,0|1,1,0]=4 1487 B10R1.23 O=C(O)C(O)c1ccco1 Amb597147 [0,1,0,0,1,0|1,0,0]=3 1488 B10R1.23 O=C(O)C(O)c1cccs1 Amb17232241 [0,1,0,0,1,0|1,1,0]=4 1489 B10R1.23 O=C(O)C(O)c1cnco1 Amb18202499 [0,1,0,0,1,0|2,0,0]=4 1490 B10R1.23 O=C(O)[C@H](O)c1cccs1 Amb27614848 [0,1,0,0,1,0|1,1,0]=4 1491 B10R1.23 O=[N+]([O-])C(O)c1ccco1 Amb27837944 [0,1,0,0,1,0|2,0,0]=4 1492 B10R1.23 O=[N+]([O-])[C@@H](O)c1ccco1 Amb27250538 [0,1,0,0,1,0|2,0,0]=4 1493 B10R1.54 C=C(C)Cc1ccc(C)s1 Amb25244717 [0,1,0,0,1,0|1,1,0]=4 1494 B10R1.54 C=C1C=C\C(=C\C(=O)O)O1 Amb27461481 [0,1,0,0,1,0|1,0,1]=4 1495 B10R1.54 CC(=O)CC1=CC(=O)NO1 Amb25961812 [0,1,0,0,1,0|1,0,0]=3 1496 B10R1.54 CC(=O)CC1=NNC(=O)O1 Amb28436521 [0,1,0,0,1,0|2,0,0]=4 1497 B10R1.54 CC(=O)Cc1cc(Br)co1 Amb33332649 [0,1,0,0,1,0|0,0,0]=2 1498 B10R1.54 CC(=O)Cc1cc(Br)cs1 Amb26048308 [0,1,0,0,1,0|0,1,0]=3 1499 B10R1.54 CC(=O)Cc1cc(C)cs1 Amb25146717 [0,1,0,0,1,0|0,1,0]=3 1500 B10R1.54 CC(=O)Cc1cc(C)no1 Amb26651822 [0,1,0,0,1,0|1,0,0]=3 1501 B10R1.54 CC(=O)Cc1cc(C)on1 Amb27615044 [0,1,0,0,1,0|2,0,0]=4 1502 B10R1.54 CC(=O)Cc1cc(Cl)cs1 Amb33057519 [0,1,0,0,1,0|0,1,0]=3 1503 B10R1.54 CC(=O)Cc1ccc(Br)o1 Amb26003095 [0,1,0,0,1,0|0,0,0]=2 1504 B10R1.54 CC(=O)Cc1ccc(C)o1 Amb17477800 [0,1,0,0,1,0|0,0,0]=2 1505 B10R1.54 CC(=O)Cc1ccc(C)s1 Amb25146673 [0,1,0,0,1,0|0,1,0]=3 1506 B10R1.54 CC(=O)Cc1ccc(Cl)o1 Amb33258287 [0,1,0,0,1,0|0,0,0]=2 1507 B10R1.54 CC(=O)Cc1ccc(Cl)s1 Amb33531007 [0,1,0,0,1,0|0,1,0]=3 1508 B10R1.54 CC(=O)Cc1ccn(C)c1 Amb18243431 [0,1,0,0,1,0|2,0,0]=4 1509 B10R1.54 CC(=O)Cc1ccn(C)n1 Amb26507502 [0,1,0,0,1,0|2,0,0]=4 1510 B10R1.54 CC(=O)Cc1cn(C)cn1 Amb33224218 [0,1,0,0,1,0|2,0,0]=4 1511 B10R1.54 CC(=O)Cc1cnc(C)o1 Amb28241211 [0,1,0,0,1,0|1,0,0]=3 1512 B10R1.54 CC(=O)Cc1cnc(C)s1 Amb18062038 [0,1,0,0,1,0|1,1,0]=4 1513 B10R1.54 CC(=O)Cc1cnc(Cl)o1 Amb27846962 [0,1,0,0,1,0|1,0,0]=3 1514 B10R1.54 CC(=O)Cc1cnc(Cl)s1 Amb33059180 [0,1,0,0,1,0|1,1,0]=4 1515 B10R1.54 CC(=O)Cc1coc(C)c1 Amb5494109 [0,1,0,0,1,0|2,0,0]=4 1516 B10R1.54 CC(=O)Cc1coc(Cl)n1 Amb28246177 [0,1,0,0,1,0|2,0,0]=4 1517 B10R1.54 CC(=O)Cc1csc(Br)c1 Amb33432545 [0,1,0,0,1,0|2,0,0]=4 1518 B10R1.54 CC(=O)Cc1csc(Br)n1 Amb18766886 [0,1,0,0,1,0|2,0,0]=4 1519 B10R1.54 CC(=O)Cc1csc(Cl)c1 Amb26893366 [0,1,0,0,1,0|2,0,0]=4 1520 B10R1.54 CC(=O)Cc1csc(N)n1 Amb18830764 [0,1,0,0,1,0|2,0,0]=4 1521 B10R1.54 CC(=O)Cc1nc(Br)no1 Amb18783668 [0,1,0,0,1,0|2,0,0]=4 1522 B10R1.54 CC(=O)Cc1nc(C)cs1 Amb18791661 [0,1,0,0,1,0|1,1,0]=4 1523 B10R1.54 CC(=O)Cc1nc(C)no1 Amb10607317 [0,1,0,0,1,0|2,0,0]=4 1524 B10R1.54 CC(=O)Cc1ncc(Br)s1 Amb33435428 [0,1,0,0,1,0|1,1,0]=4 1525 B10R1.54 CC(=O)Cc1ncc(C)s1 Amb18830874 [0,1,0,0,1,0|1,1,0]=4 1526 B10R1.54 CC(=O)Cc1nnc(C)o1 Amb10068140 [0,1,0,0,1,0|2,0,0]=4 1527 B10R1.54 CC(=O)Cc1nnc(N)o1 Amb18643669 [0,1,0,0,1,0|2,0,0]=4 1528 B10R1.54 CC(=O)Cn1cc(Br)cn1 Amb6888773 [0,1,0,0,1,0|2,0,0]=4 1529 B10R1.54 CC(=O)Cn1cc(C)cn1 Amb6891252 [0,1,0,0,1,0|2,0,0]=4 1530 B10R1.54 CC(=O)Cn1cc(I)cn1 Amb27839125 [0,1,0,0,1,0|2,0,0]=4 1531 B10R1.54 CC(=O)Cn1cc(N)cn1 Amb26861545 [0,1,0,0,1,0|2,0,0]=4 1532 B10R1.54 CC(=O)Cn1ccc(C)n1 Amb1945708 [0,1,0,0,1,0|2,0,0]=4 1533 B10R1.54 CC(=O)NC1C=CC(=O)O1 Amb20246300 [0,1,0,0,1,0|1,0,1]=4 1534 B10R1.54 CC(=O)Nc1cc(I)cs1 Amb23400215 [0,1,0,0,1,0|1,1,0]=4 1535 B10R1.54 CC(=O)Nc1ccc(Br)s1 Amb21864811 [0,1,0,0,1,0|1,1,0]=4 1536 B10R1.54 CC(=O)Nc1ccc(C)s1 Amb23447076 [0,1,0,0,1,0|1,1,0]=4 1537 B10R1.54 CC(=O)OC1=CC(=O)CC1 Amb25050258 [0,1,0,0,1,0|1,0,1]=4 1538 B10R1.54 CC(=O)OC1=CNC(=S)S1 Amb28051759 [0,1,0,0,1,0|1,1,0]=4 1539 B10R1.54 CC(=O)OC1=CSC(=O)N1 Amb27794456 [0,1,0,0,1,0|2,0,0]=4 1540 B10R1.54 CC(=O)OC1C=CC(=O)C1 Amb27837893 [0,1,0,0,1,0|1,0,1]=4 1541 B10R1.54 CC(=O)OC1C=CC(=O)O1 Amb25367336 [0,1,0,0,1,0|0,0,1]=3 1542 B10R1.54 CC(=O)O[C@@H]1C=CC(=O)C1 Amb25734052 [0,1,0,0,1,0|1,0,1]=4 1543 B10R1.54 CC(=O)O[C@H]1C=CC(=O)C1 Amb24183512 [0,1,0,0,1,0|1,0,1]=4 1544 B10R1.54 CC(=O)O[C@H]1C=CC(=O)N1 Amb27814627 [0,1,0,0,1,0|1,0,1]=4 1545 B10R1.54 CC(=O)Oc1cnc(Br)s1 Amb10807804 [0,1,0,0,1,0|1,1,0]=4 1546 B10R1.54 CC(=O)Oc1csc(N)n1 Amb27768730 [0,1,0,0,1,0|2,0,0]=4 1547 B10R1.54 CC(=O)Oc1nc(Br)cs1 Amb20617514 [0,1,0,0,1,0|1,1,0]=4 1548 B10R1.54 CC(=O)Oc1ncc(Br)s1 Amb20617501 [0,1,0,0,1,0|1,1,0]=4 1549 B10R1.54 CC(Br)Cc1cc(Br)co1 Amb33431583 [0,1,0,0,1,0|1,0,1]=4 1550 B10R1.54 CC(Br)Cc1ccc(Br)o1 Amb33452205 [0,1,0,0,1,0|1,0,1]=4 1551 B10R1.54 CC(Br)Cc1ccc(Cl)o1 Amb33335955 [0,1,0,0,1,0|1,0,1]=4 1552 B10R1.54 CC(C)Cc1ccc(Br)o1 Amb24318776 [0,1,0,0,1,0|1,0,1]=4 1553 B10R1.54 CC(C)Cc1ccc(N)o1 Amb18140336 [0,1,0,0,1,0|1,0,1]=4 1554 B10R1.54 CC(N)Cc1ccc(Br)o1 Amb6246181 [0,1,0,0,1,0|1,0,1]=4 1555 B10R1.54 CC(N)Cc1ccc(I)o1 Amb28363781 [0,1,0,0,1,0|1,0,1]=4 1556 B10R1.54 CC(O)Cc1cc(Br)co1 Amb33431569 [0,1,0,0,1,0|0,0,2]=4 1557 B10R1.54 CC(O)Cc1ccc(Br)o1 Amb28461341 [0,1,0,0,1,0|0,0,2]=4 1558 B10R1.54 CC(O)Cc1ccc(Cl)o1 Amb33258310 [0,1,0,0,1,0|0,0,2]=4 1559 B10R1.54 CC1=CCC(CC(=O)O)=C1 Amb28314099 [0,1,0,0,1,0|2,0,0]=4 1560 B10R1.54 CN(C)Cc1ccc(Br)o1 Amb27971904 [0,1,0,0,1,0|2,0,0]=4 1561 B10R1.54 CN(C)Cc1ccc(Cl)o1 Amb27963221 [0,1,0,0,1,0|2,0,0]=4 1562 B10R1.54 CN(O)Cc1cc(Br)co1 Amb33430953 [0,1,0,0,1,0|1,0,1]=4 1563 B10R1.54 CN(O)Cc1ccc(Br)o1 Amb33451886 [0,1,0,0,1,0|1,0,1]=4 1564 B10R1.54 CN(O)Cc1ccc(Cl)o1 Amb33258336 [0,1,0,0,1,0|1,0,1]=4 1565 B10R1.54 C[C@@H](N)Cc1cc(Br)co1 Amb33431856 [0,1,0,0,1,0|1,0,1]=4 1566 B10R1.54 C[C@@H](N)Cc1ccc(Br)o1 Amb33452180 [0,1,0,0,1,0|1,0,1]=4 1567 B10R1.54 C[C@@H](N)Cc1ccc(Cl)o1 Amb33258619 [0,1,0,0,1,0|1,0,1]=4 1568 B10R1.54 C[C@@H](O)Cc1cc(Br)co1 Amb33431577 [0,1,0,0,1,0|0,0,2]=4 1569 B10R1.54 C[C@@H](O)Cc1ccc(Br)o1 Amb33244152 [0,1,0,0,1,0|0,0,2]=4 1570 B10R1.54 C[C@@H](O)Cc1ccc(Cl)o1 Amb33258626 [0,1,0,0,1,0|0,0,2]=4 1571 B10R1.54 C[C@H](N)Cc1cc(Br)co1 Amb33431863 [0,1,0,0,1,0|1,0,1]=4 1572 B10R1.54 C[C@H](N)Cc1ccc(Br)o1 Amb33452132 [0,1,0,0,1,0|1,0,1]=4 1573 B10R1.54 C[C@H](N)Cc1ccc(Cl)o1 Amb33258405 [0,1,0,0,1,0|1,0,1]=4 1574 B10R1.54 C[C@H](O)Cc1cc(Br)co1 Amb33431575 [0,1,0,0,1,0|0,0,2]=4 1575 B10R1.54 C[C@H](O)Cc1ccc(Br)o1 Amb33243933 [0,1,0,0,1,0|0,0,2]=4 1576 B10R1.54 C[C@H](O)Cc1ccc(Cl)o1 Amb33258623 [0,1,0,0,1,0|0,0,2]=4 1577 B10R1.54 Cc1cc(CC(=O)O)on1 Amb9826061 [0,1,0,0,1,0|2,0,0]=4 1578 B10R1.54 Cc1ccc(CC(=N)N)o1 Amb33317523 [0,1,0,0,1,0|2,0,0]=4 1579 B10R1.54 Cc1ccc(CC(=O)Cl)o1 Amb27186019 [0,1,0,0,1,0|1,0,0]=3 1580 B10R1.54 Cc1ccc(CC(=O)O)o1 Amb18960367 [0,1,0,0,1,0|1,0,0]=3 1581 B10R1.54 Cc1ccc(CC(=O)O)s1 Amb2234463 [0,1,0,0,1,0|1,1,0]=4 1582 B10R1.54 Cc1ccc(CC(C)Br)o1 Amb33389141 [0,1,0,0,1,0|1,0,1]=4 1583 B10R1.54 Cc1ccc(CC(C)N)o1 Amb2592359 [0,1,0,0,1,0|1,0,1]=4 1584 B10R1.54 Cc1ccc(CC(C)O)o1 Amb27434854 [0,1,0,0,1,0|0,0,2]=4 1585 B10R1.54 Cc1ccc(CC(N)=O)o1 Amb28457670 [0,1,0,0,1,0|1,0,0]=3 1586 B10R1.54 Cc1ccc(CC(N)=O)s1 Amb26000481 [0,1,0,0,1,0|1,1,0]=4 1587 B10R1.54 Cc1ccc(CC(N)=S)o1 Amb33374455 [0,1,0,0,1,0|1,1,0]=4 1588 B10R1.54 Cc1ccc(CN(C)C)o1 Amb4011777 [0,1,0,0,1,0|2,0,0]=4 1589 B10R1.54 Cc1ccc(CN(C)O)o1 Amb33318248 [0,1,0,0,1,0|1,0,1]=4 1590 B10R1.54 Cc1ccc(C[C@@H](C)N)o1 Amb33317897 [0,1,0,0,1,0|1,0,1]=4 1591 B10R1.54 Cc1ccc(C[C@@H](C)O)o1 Amb27980727 [0,1,0,0,1,0|0,0,2]=4 1592 B10R1.54 Cc1ccc(C[C@H](C)N)o1 Amb33317925 [0,1,0,0,1,0|1,0,1]=4 1593 B10R1.54 Cc1ccc(C[C@H](C)O)o1 Amb33317924 [0,1,0,0,1,0|0,0,2]=4 1594 B10R1.54 Cc1ccc(C[N+](=O)[O-])o1 Amb33317913 [0,1,0,0,1,0|2,0,0]=4 1595 B10R1.54 Cc1cnc(CC(=O)O)o1 Amb18831795 [0,1,0,0,1,0|2,0,0]=4 1596 B10R1.54 Cc1cnc(CC(=O)[O-])o1 Amb32656061 [0,1,0,0,1,0|2,0,0]=4 1597 B10R1.54 Cc1coc(CC(=O)O)c1 Amb18831942 [0,1,0,0,1,0|1,0,0]=3 1598 B10R1.54 Cc1coc(CC(=O)O)n1 Amb18831793 [0,1,0,0,1,0|2,0,0]=4 1599 B10R1.54 Cc1coc(CC(=O)[O-])c1 Amb33299276 [0,1,0,0,1,0|1,0,0]=3 1600 B10R1.54 Cc1csc(CC(=O)O)c1 Amb8010099 [0,1,0,0,1,0|1,1,0]=4 1601 B10R1.54 Cc1ncc(CC(=O)O)o1 Amb18202766 [0,1,0,0,1,0|2,0,0]=4 1602 B10R1.54 N=C(N)Cc1cc(Br)co1 Amb33431975 [0,1,0,0,1,0|2,0,0]=4 1603 B10R1.54 N=C(N)Cc1ccc(Br)o1 Amb25053239 [0,1,0,0,1,0|2,0,0]=4 1604 B10R1.54 N=C(N)Cc1ccc(Cl)o1 Amb33258697 [0,1,0,0,1,0|2,0,0]=4 1605 B10R1.54 NC(=O)Cc1cc(Br)cs1 Amb18896728 [0,1,0,0,1,0|1,1,0]=4 1606 B10R1.54 NC(=O)Cc1ccc(Br)s1 Amb17405436 [0,1,0,0,1,0|1,1,0]=4 1607 B10R1.54 NC(=O)Cc1ccc(Cl)s1 Amb17400533 [0,1,0,0,1,0|1,1,0]=4 1608 B10R1.54 NC(=S)Cc1cc(Br)co1 Amb33431979 [0,1,0,0,1,0|1,1,0]=4 1609 B10R1.54 NC(=S)Cc1ccc(Br)o1 Amb25262447 [0,1,0,0,1,0|1,1,0]=4 1610 B10R1.54 NC(=S)Cc1ccc(Cl)o1 Amb33258699 [0,1,0,0,1,0|1,1,0]=4 1611 B10R1.54 Nc1cc(CC(=O)O)on1 Amb18202643 [0,1,0,0,1,0|2,0,0]=4 1612 B10R1.54 Nc1csc(CC(=O)O)c1 Amb18830633 [0,1,0,0,1,0|1,1,0]=4 1613 B10R1.54 Nc1ncc(CC(=O)O)o1 Amb18202644 [0,1,0,0,1,0|2,0,0]=4 1614 B10R1.54 O=C(O)CC1=CC(=O)NO1 Amb18831605 [0,1,0,0,1,0|2,0,0]=4 1615 B10R1.54 O=C(O)C[C@@H]1C=CC(=O)O1 Amb28314258 [0,1,0,0,1,0|1,0,1]=4 1616 B10R1.54 O=C(O)Cc1cc(Br)co1 Amb33335215 [0,1,0,0,1,0|1,0,0]=3 1617 B10R1.54 O=C(O)Cc1cc(Br)cs1 Amb10069924 [0,1,0,0,1,0|1,1,0]=4 1618 B10R1.54 O=C(O)Cc1cc(Cl)cs1 Amb26599631 [0,1,0,0,1,0|1,1,0]=4 1619 B10R1.54 O=C(O)Cc1ccc(Br)o1 Amb26028263 [0,1,0,0,1,0|1,0,0]=3 1620 B10R1.54 O=C(O)Cc1ccc(Br)s1 Amb2237320 [0,1,0,0,1,0|1,1,0]=4 1621 B10R1.54 O=C(O)Cc1ccc(Cl)o1 Amb27868697 [0,1,0,0,1,0|1,0,0]=3 1622 B10R1.54 O=C(O)Cc1ccc(Cl)s1 Amb2235520 [0,1,0,0,1,0|1,1,0]=4 1623 B10R1.54 O=C(O)Cc1ccc(F)o1 Amb25842555 [0,1,0,0,1,0|1,0,0]=3 1624 B10R1.54 O=C(O)Cc1ccc(F)s1 Amb24269131 [0,1,0,0,1,0|1,1,0]=4 1625 B10R1.54 O=C(O)Cc1ccc(I)o1 Amb24622567 [0,1,0,0,1,0|1,0,0]=3 1626 B10R1.54 O=C(O)Cc1cnc(Cl)o1 Amb28199010 [0,1,0,0,1,0|2,0,0]=4 1627 B10R1.54 O=C(O)Cc1nc(Cl)co1 Amb18829877 [0,1,0,0,1,0|2,0,0]=4 1628 B10R1.54 O=C(O)\C=C1/C=CC(=O)O1 Amb18643475 [0,1,0,0,1,0|1,0,1]=4 1629 B10R1.54 O=[N+]([O-])Cc1cc(Br)co1 Amb33431904 [0,1,0,0,1,0|2,0,0]=4 1630 B10R1.54 O=[N+]([O-])Cc1ccc(Br)o1 Amb33452037 [0,1,0,0,1,0|2,0,0]=4 1631 B10R1.54 O=[N+]([O-])Cc1ccc(Cl)o1 Amb32747904 [0,1,0,0,1,0|2,0,0]=4 1632 B10R1.64 CC(=O)Cc1cccn1C Amb25053401 [0,1,0,0,1,0|1,0,0]=3 1633 B10R1.64 CC(=O)Cc1ccnn1C Amb32954329 [0,1,0,0,1,0|2,0,0]=4 1634 B10R1.64 CC(=O)Cc1ccoc1C Amb33447489 [0,1,0,0,1,0|2,0,0]=4 1635 B10R1.64 CC(=O)Cc1ccsc1Cl Amb35617017 [0,1,0,0,1,0|2,0,0]=4 1636 B10R1.64 CC(=O)Cc1cncn1C Amb33344715 [0,1,0,0,1,0|2,0,0]=4 1637 B10R1.64 CC(=O)Cc1cscc1C Amb25178146 [0,1,0,0,1,0|2,0,0]=4 1638 B10R1.64 CC(=O)Cc1occc1C Amb26431468 [0,1,0,0,1,0|0,0,0]=2 1639 B10R1.64 CC(=O)Cc1oncc1C Amb28052941 [0,1,0,0,1,0|1,0,0]=3 1640 B10R1.64 CC(=O)Cc1sccc1Br Amb27424961 [0,1,0,0,1,0|0,1,0]=3 1641 B10R1.64 CC(=O)Cc1sccc1C Amb17477801 [0,1,0,0,1,0|0,1,0]=3 1642 B10R1.64 CC(=O)Cc1sccc1Cl Amb27632186 [0,1,0,0,1,0|0,1,0]=3 1643 B10R1.64 CC(=O)Cc1scnc1C Amb32877659 [0,1,0,0,1,0|1,1,0]=4 1644 B10R1.64 CC(=O)Cn1nccc1C Amb1945402 [0,1,0,0,1,0|2,0,0]=4 1645 B10R1.64 CC(=O)Nc1ocnc1C Amb27606018 [0,1,0,0,1,0|2,0,0]=4 1646 B10R1.64 CC(=O)Nc1oncc1C Amb27807024 [0,1,0,0,1,0|2,0,0]=4 1647 B10R1.64 CC(=O)Nc1sccc1Br Amb9175394 [0,1,0,0,1,0|1,1,0]=4 1648 B10R1.64 CC(=O)Nc1sccc1Cl Amb23400211 [0,1,0,0,1,0|1,1,0]=4 1649 B10R1.64 CC(=O)Nc1sccc1I Amb23400212 [0,1,0,0,1,0|1,1,0]=4 1650 B10R1.64 CC(=O)Oc1ccsc1C Amb27193810 [0,1,0,0,1,0|2,0,0]=4 1651 B10R1.64 CC(=O)Oc1sccc1N Amb10071362 [0,1,0,0,1,0|0,1,0]=3 1652 B10R1.64 CC(N)Cc1occc1Br Amb27594919 [0,1,0,0,1,0|1,0,1]=4 1653 B10R1.64 Cc1ccoc1CC(=N)N Amb33343289 [0,1,0,0,1,0|2,0,0]=4 1654 B10R1.64 Cc1ccoc1CC(=O)O Amb27787871 [0,1,0,0,1,0|1,0,0]=3 1655 B10R1.64 Cc1ccoc1CC(C)Br Amb33434756 [0,1,0,0,1,0|1,0,1]=4 1656 B10R1.64 Cc1ccoc1CC(C)O Amb27642707 [0,1,0,0,1,0|0,0,2]=4 1657 B10R1.64 Cc1ccoc1CC(N)=S Amb33342786 [0,1,0,0,1,0|1,1,0]=4 1658 B10R1.64 Cc1ccoc1CN(C)O Amb33343970 [0,1,0,0,1,0|1,0,1]=4 1659 B10R1.64 Cc1ccoc1C[C@@H](C)N Amb33502173 [0,1,0,0,1,0|1,0,1]=4 1660 B10R1.64 Cc1ccoc1C[C@@H](C)O Amb33343821 [0,1,0,0,1,0|0,0,2]=4 1661 B10R1.64 Cc1ccoc1C[C@H](C)N Amb33501953 [0,1,0,0,1,0|1,0,1]=4 1662 B10R1.64 Cc1ccoc1C[C@H](C)O Amb33343822 [0,1,0,0,1,0|0,0,2]=4 1663 B10R1.64 Cc1ccoc1C[N+](=O)[O-] Amb33343167 [0,1,0,0,1,0|2,0,0]=4 1664 B10R1.64 Cc1ccoc1OC(=O)Cl Amb27849264 [0,1,0,0,1,0|1,0,0]=3 1665 B10R1.64 Cc1ccsc1CC(=O)O Amb33530091 [0,1,0,0,1,0|1,1,0]=4 1666 B10R1.64 Cc1ccsc1CC(N)=O Amb27770390 [0,1,0,0,1,0|1,1,0]=4 1667 B10R1.64 Cc1cnoc1CC(=O)O Amb18202779 [0,1,0,0,1,0|2,0,0]=4 1668 B10R1.64 Cc1ncoc1CC(=O)O Amb17399865 [0,1,0,0,1,0|2,0,0]=4 1669 B10R1.64 Cn1cccc1CC(=O)O Amb33529881 [0,1,0,0,1,0|2,0,0]=4 1670 B10R1.64 Cn1cccc1CC(N)=O Amb23459725 [0,1,0,0,1,0|2,0,0]=4 1671 B10R1.64 Nc1ccoc1CC(=O)O Amb18202764 [0,1,0,0,1,0|1,0,0]=3 1672 B10R1.64 Nc1ccsc1CC(=O)O Amb22499925 [0,1,0,0,1,0|1,1,0]=4 1673 B10R1.64 O=C(O)Cc1occc1Br Amb18176122 [0,1,0,0,1,0|1,0,0]=3 1674 B10R1.64 O=C(O)Cc1occc1Cl Amb27465098 [0,1,0,0,1,0|1,0,0]=3 1675 B10R1.64 O=C(O)Cc1sccc1Br Amb18283686 [0,1,0,0,1,0|1,1,0]=4 1676 B10R1.64 O=C(O)Cc1sccc1Cl Amb27160571 [0,1,0,0,1,0|1,1,0]=4 1677 B10R1.281 CC(C)(N)Cc1ccco1 Amb5737512 [0,1,0,0,1,0|1,0,1]=4 1678 B10R1.281 CC(C)(O)Cc1ccco1 Amb26994354 [0,1,0,0,1,0|0,0,2]=4 1679 B10R1.281 CS(=O)(=O)Cc1cccs1 Amb27642768 [0,1,0,0,1,0|1,1,0]=4 1680 B10R1.281 CS(=O)(=O)Cc1ccno1 Amb28350884 [0,1,0,0,1,0|2,0,0]=4 1681 B10R1.281 CS(=O)(=O)Cc1cnco1 Amb35647932 [0,1,0,0,1,0|2,0,0]=4 1682 B10R1.281 C[N+](C)(C)Cc1ccco1 Amb33925036 [0,1,0,0,1,0|2,0,0]=4 1683 B10R1.281 C[Si](C)(Br)Cc1ccco1 Amb27224327 [0,1,0,0,1,0|1,1,0]=4 1684 B10R1.281 C[Si](C)(C)Oc1ccco1 Amb8629593 [0,1,0,0,1,0|1,1,0]=4 1685 B10R1.281 NS(=O)(=O)Cc1ccco1 Amb18183452 [0,1,0,0,1,0|2,0,0]=4 1686 B10R1.281 O=S(=O)(Cl)Cc1ccco1 Amb18186747 [0,1,0,0,1,0|2,0,0]=4 1687 B10R1.281 O=S(=O)(F)Cc1ccco1 Amb33352262 [0,1,0,0,1,0|2,0,0]=4 1688 B12R1.21 CC(=O)CCc1ccc(Br)cc1 Amb5740059 [0,1,0,0,0,1|2,0,0]=4 1689 B12R1.21 CC(=O)CCc1ccc(Br)cn1 Amb25729593 [0,1,0,0,0,1|2,0,0]=4 1690 B12R1.21 CC(=O)CCc1ccc(Br)nc1 Amb33388890 [0,1,0,0,0,1|2,0,0]=4 1691 B12R1.21 CC(=O)CCc1ccc(C)cc1 Amb5740050 [0,1,0,0,0,1|2,0,0]=4 1692 B12R1.21 CC(=O)CCc1ccc(C)cn1 Amb26963678 [0,1,0,0,0,1|2,0,0]=4 1693 B12R1.21 CC(=O)CCc1ccc(C)nc1 Amb25197877 [0,1,0,0,0,1|2,0,0]=4 1694 B12R1.21 CC(=O)CCc1ccc(Cl)cc1 Amb5740058 [0,1,0,0,0,1|2,0,0]=4 1695 B12R1.21 CC(=O)CCc1ccc(Cl)cn1 Amb33261956 [0,1,0,0,0,1|2,0,0]=4 1696 B12R1.21 CC(=O)CCc1ccc(Cl)nc1 Amb25725533 [0,1,0,0,0,1|2,0,0]=4 1697 B12R1.21 CC(=O)CCc1ccc(F)cc1 Amb5740057 [0,1,0,0,0,1|2,0,0]=4 1698 B12R1.21 CC(=O)CCc1ccc(F)cn1 Amb33172676 [0,1,0,0,0,1|2,0,0]=4 1699 B12R1.21 CC(=O)CCc1ccc(F)nc1 Amb27471964 [0,1,0,0,0,1|2,0,0]=4 1700 B12R1.21 CC(=O)CCc1ccc(I)cc1 Amb26325783 [0,1,0,0,0,1|2,0,0]=4 1701 B12R1.21 CC(=O)CCc1ccc(N)cc1 Amb27637738 [0,1,0,0,0,1|2,0,0]=4 1702 B12R1.21 CC(=O)CCc1ccc(O)cc1 Amb533055 [0,1,0,0,0,1|2,0,0]=4 1703 B12R1.21 CC(=O)CCc1cnc(C)cn1 Amb33378067 [0,1,0,0,0,1|2,0,0]=4 1704 B12R1.21 CC(=O)CCc1ncc(Br)cn1 Amb33335109 [0,1,0,0,0,1|2,0,0]=4 1705 B12R1.21 CC(=O)NCc1ccc(Br)cc1 Amb20622638 [0,1,0,0,0,1|2,0,0]=4 1706 B12R1.21 CC(=O)NCc1ccc(C)cc1 Amb3358096 [0,1,0,0,0,1|2,0,0]=4 1707 B12R1.21 CC(=O)NCc1ccc(Cl)cc1 Amb3094821 [0,1,0,0,0,1|2,0,0]=4 1708 B12R1.21 CC(=O)NCc1ccc(Cl)cn1 Amb27810148 [0,1,0,0,0,1|2,0,0]=4 1709 B12R1.21 CC(=O)NCc1ccc(Cl)nc1 Amb10608428 [0,1,0,0,0,1|2,0,0]=4 1710 B12R1.21 CC(=O)NCc1ccc(F)cc1 Amb8020832 [0,1,0,0,0,1|2,0,0]=4 1711 B12R1.21 CC(=O)NCc1ccc(N)cc1 Amb4017045 [0,1,0,0,0,1|2,0,0]=4 1712 B12R1.21 CC(=O)NCc1ccc(N)cn1 Amb13890645 [0,1,0,0,0,1|2,0,0]=4 1713 B12R1.21 CC(=O)NCc1ccc(O)cc1 Amb10549495 [0,1,0,0,0,1|2,0,0]=4 1714 B12R1.21 CC(=O)NCc1cnc(Cl)cn1 Amb28984293 [0,1,0,0,0,1|2,0,0]=4 1715 B12R1.21 CC(=O)OCC1=CNC(=O)C=C1 Amb27975835 [0,1,0,0,0,1|1,0,0]=3 1716 B12R1.21 CC(=O)OCc1cc[n+]([O-])cc1 Amb27615601 [0,1,0,0,0,1|1,0,0]=3 1717 B12R1.21 CC(=O)OCc1ccc(Br)cn1 Amb27481096 [0,1,0,0,0,1|1,0,0]=3 1718 B12R1.21 CC(=O)OCc1ccc(Cl)cc1 Amb2421366 [0,1,0,0,0,1|1,0,0]=3 1719 B12R1.21 CC(=O)OCc1ccc(Cl)nc1 Amb3918908 [0,1,0,0,0,1|1,0,0]=3 1720 B12R1.21 CC(=O)OCc1ccc(F)cn1 Amb27178463 [0,1,0,0,0,1|1,0,0]=3 1721 B12R1.21 CC(=O)OCc1ccc(I)cn1 Amb27756350 [0,1,0,0,0,1|1,0,0]=3 1722 B12R1.21 CC(=O)OCc1ccc(N)cn1 Amb20248322 [0,1,0,0,0,1|1,0,0]=3 1723 B12R1.21 CC(=O)OCc1cnc(C)cn1 Amb25065213 [0,1,0,0,0,1|1,0,0]=3 1724 B12R1.21 CC(=O)OCc1ncc(C)cn1 Amb27979399 [0,1,0,0,0,1|1,0,0]=3 1725 B12R1.21 CC(=O)ON=C1C=CC(=O)C=C1 Amb27175819 [0,1,0,0,0,1|2,0,0]=4 1726 B12R1.21 CC(=O)ONc1ccc(Cl)cn1 Amb20247510 [0,1,0,0,0,1|2,0,0]=4 1727 B12R1.21 CC(=O)SCc1ccc(Br)cc1 Amb22338619 [0,1,0,0,0,1|1,1,0]=4 1728 B12R1.21 CC(=O)SCc1ccc(O)cc1 Amb27256344 [0,1,0,0,0,1|1,1,0]=4 1729 B12R1.21 Cc1ccc(COC(=O)Cl)cc1 Amb27816885 [0,1,0,0,0,1|2,0,0]=4 1730 B12R1.21 Cc1ccc(COC(=O)Cl)cn1 Amb33297050 [0,1,0,0,0,1|2,0,0]=4 1731 B12R1.21 NC(=O)OCc1ccc(O)cc1 Amb28243920 [0,1,0,0,0,1|2,0,0]=4 1732 B12R1.21 O=C(Cl)OCc1ccc(Br)cc1 Amb22059767 [0,1,0,0,0,1|2,0,0]=4 1733 B12R1.21 O=C(Cl)OCc1ccc(Cl)cc1 Amb33531980 [0,1,0,0,0,1|2,0,0]=4 1734 B12R1.21 O=C(Cl)OCc1ccc(Cl)nc1 Amb33297292 [0,1,0,0,0,1|2,0,0]=4 1735 B12R1.21 O=C(Cl)OCc1ccc(F)cc1 Amb24471576 [0,1,0,0,0,1|2,0,0]=4 1736 B12R1.27 C#CC(=O)OCc1ccccc1 Amb24057136 [0,1,0,0,0,1|1,0,1]=4 1737 B12R1.27 C=CC(=O)OCc1ccccc1 Amb10807780 [0,1,0,0,0,1|1,0,1]=4 1738 B12R1.27 CC(C=O)OCc1ccccc1 Amb18646071 [0,1,0,0,0,1|1,0,1]=4 1739 B12R1.27 CCC(=O)CCc1ccccc1 Amb3940674 [0,1,0,0,0,1|2,0,0]=4 1740 B12R1.27 CCC(=O)NCc1ccccc1 Amb3097295 [0,1,0,0,0,1|2,0,0]=4 1741 B12R1.27 CCC(=O)NCc1ccccn1 Amb17736593 [0,1,0,0,0,1|2,0,0]=4 1742 B12R1.27 CCC(=O)NCc1cnccn1 Amb35736714 [0,1,0,0,0,1|2,0,0]=4 1743 B12R1.27 CCC(=O)OCc1ccccc1 Amb6357157 [0,1,0,0,0,1|1,0,0]=3 1744 B12R1.27 CCC(=S)OCc1ccccc1 Amb28078330 [0,1,0,0,0,1|1,1,0]=4 1745 B12R1.27 CNC(=O)CCc1ccccc1 Amb3886651 [0,1,0,0,0,1|2,0,0]=4 1746 B12R1.27 CNC(=O)CCc1cccnc1 Amb27256880 [0,1,0,0,0,1|2,0,0]=4 1747 B12R1.27 CNC(=O)CCc1ccncn1 Amb27982663 [0,1,0,0,0,1|2,0,0]=4 1748 B12R1.27 CNC(=O)CCc1ncccn1 Amb28291945 [0,1,0,0,0,1|2,0,0]=4 1749 B12R1.27 CNC(=O)NCc1ccccn1 Amb2132790 [0,1,0,0,0,1|2,0,0]=4 1750 B12R1.27 CNC(=O)NCc1cccnc1 Amb2132774 [0,1,0,0,0,1|2,0,0]=4 1751 B12R1.27 CNC(=O)NCc1cccnn1 Amb27180087 [0,1,0,0,0,1|2,0,0]=4 1752 B12R1.27 CNC(=O)NCc1ccncc1 Amb2132791 [0,1,0,0,0,1|2,0,0]=4 1753 B12R1.27 CNC(=O)OCc1ccccc1 Amb26883461 [0,1,0,0,0,1|1,0,0]=3 1754 B12R1.27 CNC(=O)OCc1ccccn1 Amb27616729 [0,1,0,0,0,1|1,0,0]=3 1755 B12R1.27 CNC(=O)OCc1cccnc1 Amb24532586 [0,1,0,0,0,1|1,0,0]=3 1756 B12R1.27 CNC(=O)OCc1ccncc1 Amb27798878 [0,1,0,0,0,1|1,0,0]=3 1757 B12R1.27 CNC(=O)SCc1ccccc1 Amb28243771 [0,1,0,0,0,1|1,1,0]=4 1758 B12R1.27 COC(=O)CCc1ccccc1 Amb843216 [0,1,0,0,0,1|2,0,0]=4 1759 B12R1.27 COC(=O)CCc1cccnc1 Amb6357821 [0,1,0,0,0,1|2,0,0]=4 1760 B12R1.27 COC(=O)CCc1ccncc1 Amb10604945 [0,1,0,0,0,1|2,0,0]=4 1761 B12R1.27 COC(=O)NCc1ccccc1 Amb2746993 [0,1,0,0,0,1|2,0,0]=4 1762 B12R1.27 COC(=O)NCc1cccnn1 Amb28197550 [0,1,0,0,0,1|2,0,0]=4 1763 B12R1.27 COC(=O)NCc1cnccn1 Amb35654789 [0,1,0,0,0,1|2,0,0]=4 1764 B12R1.27 COC(=O)NCc1ncccn1 Amb27766428 [0,1,0,0,0,1|2,0,0]=4 1765 B12R1.27 COC(=O)OCc1ccccc1 Amb25034726 [0,1,0,0,0,1|1,0,0]=3 1766 B12R1.27 CSC(=S)OCc1ccccc1 Amb4035354 [0,1,0,0,0,1|1,1,0]=4 1767 B12R1.27 C[C@@H](C=O)OCc1ccccc1 Amb17609288 [0,1,0,0,0,1|1,0,1]=4 1768 B12R1.27 C\N=C(\C)OCc1ccccc1 Amb27784725 [0,1,0,0,0,1|2,0,0]=4 1769 B12R1.27 N#CC(=O)OCc1ccccc1 Amb9786353 [0,1,0,0,0,1|1,0,1]=4 1770 B12R1.27 N=C(CO)OCc1ccccc1 Amb27598593 [0,1,0,0,0,1|2,0,0]=4 1771 B12R1.27 NCC(=O)CCc1ccccc1 Amb18563587 [0,1,0,0,0,1|2,0,0]=4 1772 B12R1.27 NCC(=O)CCc1ccccc1 Amb35788694 [0,1,0,0,0,1|2,0,0]=4 1773 B12R1.27 NCC(=O)NCc1ccccc1 Amb6477742 [0,1,0,0,0,1|2,0,0]=4 1774 B12R1.27 NCC(=O)NCc1ccccc1 Amb7969763 [0,1,0,0,0,1|2,0,0]=4 1775 B12R1.27 NCC(=O)NCc1ccccn1 Amb21959064 [0,1,0,0,0,1|2,0,0]=4 1776 B12R1.27 NCC(=O)NCc1ccccn1 Amb5783054 [0,1,0,0,0,1|2,0,0]=4 1777 B12R1.27 NCC(=O)NCc1ccccn1 Amb7969837 [0,1,0,0,0,1|2,0,0]=4 1778 B12R1.27 NCC(=O)NCc1cccnc1 Amb21987915 [0,1,0,0,0,1|2,0,0]=4 1779 B12R1.27 NCC(=O)NCc1cccnc1 Amb5783055 [0,1,0,0,0,1|2,0,0]=4 1780 B12R1.27 NCC(=O)NCc1ccncc1 Amb13951584 [0,1,0,0,0,1|2,0,0]=4 1781 B12R1.27 NCC(=O)NCc1ccncc1 Amb5783056 [0,1,0,0,0,1|2,0,0]=4 1782 B12R1.27 NCC(=O)NCc1cnccn1 Amb21861910 [0,1,0,0,0,1|2,0,0]=4 1783 B12R1.27 NCC(=O)OCc1ccccc1 Amb1808695 [0,1,0,0,0,1|1,0,0]=3 1784 B12R1.27 NCC(=O)OCc1ccccc1 Amb2228429 [0,1,0,0,0,1|1,0,0]=3 1785 B12R1.27 NNC(=O)OCc1ccccc1 Amb33422006 [0,1,0,0,0,1|2,0,0]=4 1786 B12R1.27 NNC(=O)OCc1ccccc1 Amb8516532 [0,1,0,0,0,1|2,0,0]=4 1787 B12R1.27 NNC(=O)OCc1ccncc1 Amb27769029 [0,1,0,0,0,1|2,0,0]=4 1788 B12R1.27 O=C(CBr)CCc1ccccc1 Amb20171375 [0,1,0,0,0,1|2,0,0]=4 1789 B12R1.27 O=C(CBr)NCc1ccccc1 Amb2221074 [0,1,0,0,0,1|2,0,0]=4 1790 B12R1.27 O=C(CBr)NCc1ccccn1 Amb15701346 [0,1,0,0,0,1|2,0,0]=4 1791 B12R1.27 O=C(CBr)NCc1ccccn1 Amb22587297 [0,1,0,0,0,1|2,0,0]=4 1792 B12R1.27 O=C(CBr)NCc1cccnc1 Amb17332390 [0,1,0,0,0,1|2,0,0]=4 1793 B12R1.27 O=C(CBr)NCc1cccnn1 Amb27164940 [0,1,0,0,0,1|2,0,0]=4 1794 B12R1.27 O=C(CBr)NCc1ccncc1 Amb17328296 [0,1,0,0,0,1|2,0,0]=4 1795 B12R1.27 O=C(CBr)NCc1ccncn1 Amb27607353 [0,1,0,0,0,1|2,0,0]=4 1796 B12R1.27 O=C(CBr)NCc1cnccn1 Amb26862192 [0,1,0,0,0,1|2,0,0]=4 1797 B12R1.27 O=C(CBr)OCc1ccccc1 Amb2720586 [0,1,0,0,0,1|1,0,0]=3 1798 B12R1.27 O=C(CCl)CCc1ccccc1 Amb17139043 [0,1,0,0,0,1|2,0,0]=4 1799 B12R1.27 O=C(CCl)NCc1ccccc1 Amb6324481 [0,1,0,0,0,1|2,0,0]=4 1800 B12R1.27 O=C(CCl)NCc1ccccn1 Amb1651007 [0,1,0,0,0,1|2,0,0]=4 1801 B12R1.27 O=C(CCl)NCc1ccccn1 Amb6891873 [0,1,0,0,0,1|2,0,0]=4 1802 B12R1.27 O=C(CCl)NCc1cccnc1 Amb19373274 [0,1,0,0,0,1|2,0,0]=4 1803 B12R1.27 O=C(CCl)NCc1cccnc1 Amb3361437 [0,1,0,0,0,1|2,0,0]=4 1804 B12R1.27 O=C(CCl)NCc1ccncc1 Amb3356995 [0,1,0,0,0,1|2,0,0]=4 1805 B12R1.27 O=C(CCl)NCc1ccncn1 Amb27178531 [0,1,0,0,0,1|2,0,0]=4 1806 B12R1.27 O=C(CCl)OCc1ccccc1 Amb844249 [0,1,0,0,0,1|1,0,0]=3 1807 B12R1.27 O=C(CF)NCc1ccccc1 Amb27237611 [0,1,0,0,0,1|2,0,0]=4 1808 B12R1.27 O=C(CI)NCc1ccccc1 Amb24084424 [0,1,0,0,0,1|2,0,0]=4 1809 B12R1.27 O=C(CI)OCc1ccccc1 Amb25144488 [0,1,0,0,0,1|1,0,0]=3 1810 B12R1.27 O=C(CO)CCc1ccccc1 Amb18563609 [0,1,0,0,0,1|2,0,0]=4 1811 B12R1.27 O=C(CO)CCc1ccccn1 Amb18563673 [0,1,0,0,0,1|2,0,0]=4 1812 B12R1.27 O=C(CO)CCc1cccnc1 Amb18563674 [0,1,0,0,0,1|2,0,0]=4 1813 B12R1.27 O=C(CO)CCc1ccncc1 Amb18563675 [0,1,0,0,0,1|2,0,0]=4 1814 B12R1.27 O=C(CO)NCc1ccccc1 Amb1111331 [0,1,0,0,0,1|2,0,0]=4 1815 B12R1.27 O=C(CO)NCc1ccccn1 Amb17334667 [0,1,0,0,0,1|2,0,0]=4 1816 B12R1.27 O=C(CO)NCc1cccnc1 Amb17334668 [0,1,0,0,0,1|2,0,0]=4 1817 B12R1.27 O=C(CO)NCc1cccnn1 Amb27399370 [0,1,0,0,0,1|2,0,0]=4 1818 B12R1.27 O=C(CO)NCc1ccncc1 Amb17334669 [0,1,0,0,0,1|2,0,0]=4 1819 B12R1.27 O=C(CO)NCc1ncccn1 Amb28319491 [0,1,0,0,0,1|2,0,0]=4 1820 B12R1.27 O=C(CO)OCc1ccccc1 Amb3939223 [0,1,0,0,0,1|1,0,0]=3 1821 B12R1.27 O=C(CS)NCc1cccnc1 Amb27811305 [0,1,0,0,0,1|2,0,0]=4 1822 B12R1.27 O=C(CS)NCc1cnccn1 Amb35646375 [0,1,0,0,0,1|2,0,0]=4 1823 B12R1.27 O=C(CS)NCc1ncccn1 Amb27441987 [0,1,0,0,0,1|2,0,0]=4 1824 B12R1.27 O=C(CS)OCc1ccccc1 Amb9786411 [0,1,0,0,0,1|1,0,0]=3 1825 B12R1.27 O=C(NCl)OCc1ccccc1 Amb21948731 [0,1,0,0,0,1|2,0,0]=4 1826 B12R1.27 O=C(NO)OCc1ccccc1 Amb2445312 [0,1,0,0,0,1|2,0,0]=4 1827 B12R1.27 O=CC(=O)OCc1ccccc1 Amb18645967 [0,1,0,0,0,1|1,0,1]=4 1828 B12R1.27 OCC(=S)OCc1ccccc1 Amb27835138 [0,1,0,0,0,1|1,1,0]=4 1829 B12R1.27 [NH3+]CC(=O)OCc1ccccc1 Amb4037912 [0,1,0,0,0,1|1,0,0]=3 1830 B12R1.43 CC(=O)C(=O)Cc1ccccc1 Amb23603619 [0,1,0,0,0,1|2,0,0]=4 1831 B12R1.43 CC(=O)C(=O)Cc1ccccn1 Amb26923275 [0,1,0,0,0,1|2,0,0]=4 1832 B12R1.43 CC(=O)C(=O)Cc1cccnc1 Amb24556780 [0,1,0,0,0,1|2,0,0]=4 1833 B12R1.43 CC(=O)C(=O)Cc1ccncc1 Amb24555440 [0,1,0,0,0,1|2,0,0]=4 1834 B12R1.43 CC(=O)C(Br)Cc1ccccc1 Amb17507835 [0,1,0,0,0,1|2,0,0]=4 1835 B12R1.43 CC(=O)C(C)Cc1ccccc1 Amb17232407 [0,1,0,0,0,1|2,0,0]=4 1836 B12R1.43 CC(=O)C(C)Cc1ccccn1 Amb27231621 [0,1,0,0,0,1|2,0,0]=4 1837 B12R1.43 CC(=O)C(C)Cc1cccnc1 Amb27960854 [0,1,0,0,0,1|2,0,0]=4 1838 B12R1.43 CC(=O)C(C)Cc1cnccn1 Amb35723160 [0,1,0,0,0,1|2,0,0]=4 1839 B12R1.43 CC(=O)C(Cl)Cc1ccccc1 Amb17204329 [0,1,0,0,0,1|2,0,0]=4 1840 B12R1.43 CC(=O)C(Cl)Cc1ccncc1 Amb17507769 [0,1,0,0,0,1|2,0,0]=4 1841 B12R1.43 CC(=O)C(F)Cc1ccccc1 Amb27453671 [0,1,0,0,0,1|2,0,0]=4 1842 B12R1.43 CC(=O)C(N)Cc1ccccc1 Amb1099237 [0,1,0,0,0,1|2,0,0]=4 1843 B12R1.43 CC(=O)C(N)Cc1ccccc1 Amb2600540 [0,1,0,0,0,1|2,0,0]=4 1844 B12R1.43 CC(=O)C(O)Cc1ccccc1 Amb25340966 [0,1,0,0,0,1|2,0,0]=4 1845 B12R1.43 CC(=O)N(C)Cc1ccccc1 Amb3886652 [0,1,0,0,0,1|2,0,0]=4 1846 B12R1.43 CC(=O)N(C)Cc1ccccn1 Amb27262191 [0,1,0,0,0,1|2,0,0]=4 1847 B12R1.43 CC(=O)N(C)Cc1cccnc1 Amb33544307 [0,1,0,0,0,1|2,0,0]=4 1848 B12R1.43 CC(=O)[C@@H](C)Cc1cccnc1 Amb27177781 [0,1,0,0,0,1|2,0,0]=4 1849 B12R1.43 CC(=O)[C@@H](N)Cc1ccccc1 Amb27874005 [0,1,0,0,0,1|2,0,0]=4 1850 B12R1.43 CC(=O)[C@H](N)Cc1ccccc1 Amb35588699 [0,1,0,0,0,1|2,0,0]=4 1851 B12R1.107 CC(=O)CC(C)c1ccccc1 Amb5740067 [0,1,0,0,0,1|2,0,0]=4 1852 B12R1.107 CC(=O)CC(C)c1cnccn1 Amb27267583 [0,1,0,0,0,1|2,0,0]=4 1853 B12R1.107 CC(=O)CC(N)c1ncccn1 Amb32716313 [0,1,0,0,0,1|2,0,0]=4 1854 B12R1.107 CC(=O)CC(O)c1ccccc1 Amb28324943 [0,1,0,0,0,1|2,0,0]=4 1855 B12R1.107 CC(=O)CC(O)c1ccccn1 Amb1016907 [0,1,0,0,0,1|2,0,0]=4 1856 B12R1.107 CC(=O)CC(O)c1cccnc1 Amb28399354 [0,1,0,0,0,1|2,0,0]=4 1857 B12R1.107 CC(=O)C[C@@H](O)c1ccccc1 Amb27802735 [0,1,0,0,0,1|2,0,0]=4 1858 B12R1.107 CC(=O)C[C@H](N)c1ccccc1 Amb27882797 [0,1,0,0,0,1|2,0,0]=4 1859 B12R1.107 CC(=O)C[C@H](O)c1ccncc1 Amb27227062 [0,1,0,0,0,1|2,0,0]=4 1860 B12R1.107 CC(=O)NC(C)c1ccccc1 Amb6390965 [0,1,0,0,0,1|2,0,0]=4 1861 B12R1.107 CC(=O)NC(C)c1cccnc1 Amb27243970 [0,1,0,0,0,1|2,0,0]=4 1862 B12R1.107 CC(=O)N[C@@H](C)c1ccccc1 Amb8516282 [0,1,0,0,0,1|2,0,0]=4 1863 B12R1.107 CC(=O)N[C@H](C)c1ccccc1 Amb2742666 [0,1,0,0,0,1|2,0,0]=4 1864 B12R1.107 CC(=O)OC(C)c1ccccc1 Amb4037062 [0,1,0,0,0,1|1,0,0]=3 1865 B12R1.107 CC(=O)OC(C)c1cnccn1 Amb27651439 [0,1,0,0,0,1|1,0,0]=3 1866 B12R1.107 CC(=O)O[C@@H](C)c1ccccn1 Amb27762276 [0,1,0,0,0,1|1,0,0]=3 1867 B12R1.107 CC(=O)SC(O)c1ccccc1 Amb27775515 [0,1,0,0,0,1|1,1,0]=4 1868 B12R1.107 CC(OC(=O)Cl)c1ccccc1 Amb27181225 [0,1,0,0,0,1|2,0,0]=4 1869 B12R1.107 CC(OC(=O)Cl)c1ccncc1 Amb33296827 [0,1,0,0,0,1|2,0,0]=4 1870 B12R1.107 C[C@@H](OC(=O)Cl)c1ccccc1 Amb33297316 [0,1,0,0,0,1|2,0,0]=4 1871 B12R1.107 C[C@H](OC(=O)Cl)c1ccccc1 Amb33297317 [0,1,0,0,0,1|2,0,0]=4 1872 B12R1.125 CC(=O)CCc1ccccc1Br Amb9031563 [0,1,0,0,0,1|2,0,0]=4 1873 B12R1.125 CC(=O)CCc1ccccc1C Amb9031558 [0,1,0,0,0,1|2,0,0]=4 1874 B12R1.125 CC(=O)CCc1ccccc1Cl Amb9031570 [0,1,0,0,0,1|2,0,0]=4 1875 B12R1.125 CC(=O)CCc1ccccc1F Amb9031573 [0,1,0,0,0,1|2,0,0]=4 1876 B12R1.125 CC(=O)CCc1ccccc1N Amb27246247 [0,1,0,0,0,1|2,0,0]=4 1877 B12R1.125 CC(=O)CCc1ccccc1O Amb17507153 [0,1,0,0,0,1|2,0,0]=4 1878 B12R1.125 CC(=O)CCc1cccnc1Br Amb33388129 [0,1,0,0,0,1|2,0,0]=4 1879 B12R1.125 CC(=O)CCc1cccnc1C Amb25859556 [0,1,0,0,0,1|2,0,0]=4 1880 B12R1.125 CC(=O)CCc1cccnc1Cl Amb25731066 [0,1,0,0,0,1|2,0,0]=4 1881 B12R1.125 CC(=O)CCc1cccnc1F Amb33377141 [0,1,0,0,0,1|2,0,0]=4 1882 B12R1.125 CC(=O)CCc1ccncc1Br Amb33385809 [0,1,0,0,0,1|2,0,0]=4 1883 B12R1.125 CC(=O)CCc1ccncc1C Amb26449976 [0,1,0,0,0,1|2,0,0]=4 1884 B12R1.125 CC(=O)CCc1ccncc1Cl Amb24678607 [0,1,0,0,0,1|2,0,0]=4 1885 B12R1.125 CC(=O)CCc1ccncc1F Amb26657206 [0,1,0,0,0,1|2,0,0]=4 1886 B12R1.125 CC(=O)CCc1cnccc1C Amb28205627 [0,1,0,0,0,1|2,0,0]=4 1887 B12R1.125 CC(=O)CCc1ncccc1Br Amb25703295 [0,1,0,0,0,1|2,0,0]=4 1888 B12R1.125 CC(=O)CCc1ncccc1C Amb26961458 [0,1,0,0,0,1|2,0,0]=4 1889 B12R1.125 CC(=O)CCc1ncccc1F Amb33419609 [0,1,0,0,0,1|2,0,0]=4 1890 B12R1.125 CC(=O)CCc1nccnc1C Amb33142524 [0,1,0,0,0,1|2,0,0]=4 1891 B12R1.125 CC(=O)NCc1ccccc1Br Amb2134482 [0,1,0,0,0,1|2,0,0]=4 1892 B12R1.125 CC(=O)NCc1ccccc1Cl Amb3094828 [0,1,0,0,0,1|2,0,0]=4 1893 B12R1.125 CC(=O)NCc1ccccc1F Amb2020110 [0,1,0,0,0,1|2,0,0]=4 1894 B12R1.125 CC(=O)NCc1ccccc1O Amb18646279 [0,1,0,0,0,1|2,0,0]=4 1895 B12R1.125 CC(=O)NCc1cccnc1Cl Amb28240285 [0,1,0,0,0,1|2,0,0]=4 1896 B12R1.125 CC(=O)NCc1cnccc1C Amb17778543 [0,1,0,0,0,1|2,0,0]=4 1897 B12R1.125 CC(=O)NCc1ncccc1C Amb22584206 [0,1,0,0,0,1|2,0,0]=4 1898 B12R1.125 CC(=O)NCc1ncccc1N Amb32679072 [0,1,0,0,0,1|2,0,0]=4 1899 B12R1.125 CC(=O)NCc1nccnc1C Amb35600690 [0,1,0,0,0,1|2,0,0]=4 1900 B12R1.125 CC(=O)NCc1nccnc1Cl Amb24639078 [0,1,0,0,0,1|2,0,0]=4 1901 B12R1.125 CC(=O)OCC1=COCCC1=O Amb27749795 [0,1,0,0,0,1|0,0,2]=4 1902 B12R1.125 CC(=O)OC[C@H]1OCC=C[C@@H]1O Amb27443261 [0,1,0,0,0,1|0,0,2]=4 1903 B12R1.125 CC(=O)OCc1ccccc1C Amb17778968 [0,1,0,0,0,1|1,0,0]=3 1904 B12R1.125 CC(=O)OCc1ccccc1N Amb27985013 [0,1,0,0,0,1|1,0,0]=3 1905 B12R1.125 CC(=O)OCc1cccnc1C Amb22750508 [0,1,0,0,0,1|1,0,0]=3 1906 B12R1.125 CC(=O)OCc1cccnc1Cl Amb27806256 [0,1,0,0,0,1|1,0,0]=3 1907 B12R1.125 CC(=O)OCc1ccncc1C Amb26569890 [0,1,0,0,0,1|1,0,0]=3 1908 B12R1.125 CC(=O)OCc1ccncc1Cl Amb6382906 [0,1,0,0,0,1|1,0,0]=3 1909 B12R1.125 CC(=O)OCc1nccc[n+]1[O-] Amb28065639 [0,1,0,0,0,1|1,0,0]=3 1910 B12R1.125 CC(=O)OCc1nccnc1C Amb28136361 [0,1,0,0,0,1|1,0,0]=3 1911 B12R1.125 CC(=O)SCc1ccccc1Cl Amb27767953 [0,1,0,0,0,1|1,1,0]=4 1912 B12R1.125 CC(=O)SCc1cnccc1N Amb27782197 [0,1,0,0,0,1|1,1,0]=4 1913 B12R1.125 Cc1ccccc1COC(=O)Cl Amb27416351 [0,1,0,0,0,1|2,0,0]=4 1914 B12R1.125 NC(=O)OCc1ccccc1Cl Amb27233024 [0,1,0,0,0,1|2,0,0]=4 1915 B12R1.125 NC(=O)OCc1ccccc1F Amb27770205 [0,1,0,0,0,1|2,0,0]=4 1916 B12R1.125 O=C(Cl)OCc1ccccc1Br Amb20620406 [0,1,0,0,0,1|2,0,0]=4 1917 B12R1.125 O=C(Cl)OCc1ccccc1F Amb25039104 [0,1,0,0,0,1|2,0,0]=4 1918 B12R1.125 O=C(Cl)OCc1cccnc1Cl Amb33297073 [0,1,0,0,0,1|2,0,0]=4 1919 B12R1.226 CC(=O)CCc1cc(C)ccn1 Amb33317812 [0,1,0,0,0,1|2,0,0]=4 1920 B12R1.226 CC(=O)CCc1cc(F)ccn1 Amb33325516 [0,1,0,0,0,1|2,0,0]=4 1921 B12R1.226 CC(=O)CCc1cccc(Br)c1 Amb9031557 [0,1,0,0,0,1|2,0,0]=4 1922 B12R1.226 CC(=O)CCc1cccc(Br)n1 Amb33433542 [0,1,0,0,0,1|2,0,0]=4 1923 B12R1.226 CC(=O)CCc1cccc(C)c1 Amb8869632 [0,1,0,0,0,1|2,0,0]=4 1924 B12R1.226 CC(=O)CCc1cccc(C)n1 Amb27480062 [0,1,0,0,0,1|2,0,0]=4 1925 B12R1.226 CC(=O)CCc1cccc(Cl)c1 Amb9031572 [0,1,0,0,0,1|2,0,0]=4 1926 B12R1.226 CC(=O)CCc1cccc(Cl)n1 Amb33222652 [0,1,0,0,0,1|2,0,0]=4 1927 B12R1.226 CC(=O)CCc1cccc(F)c1 Amb9031555 [0,1,0,0,0,1|2,0,0]=4 1928 B12R1.226 CC(=O)CCc1cccc(N)c1 Amb26452029 [0,1,0,0,0,1|2,0,0]=4 1929 B12R1.226 CC(=O)CCc1cccc(O)c1 Amb18646057 [0,1,0,0,0,1|2,0,0]=4 1930 B12R1.226 CC(=O)CCc1cccc(O)n1 Amb24605336 [0,1,0,0,0,1|2,0,0]=4 1931 B12R1.226 CC(=O)CCc1ccnc(C)c1 Amb24677051 [0,1,0,0,0,1|2,0,0]=4 1932 B12R1.226 CC(=O)CCc1ccnc(C)n1 Amb27865171 [0,1,0,0,0,1|2,0,0]=4 1933 B12R1.226 CC(=O)CCc1cncc(Br)c1 Amb28401345 [0,1,0,0,0,1|2,0,0]=4 1934 B12R1.226 CC(=O)CCc1cncc(C)c1 Amb27657326 [0,1,0,0,0,1|2,0,0]=4 1935 B12R1.226 CC(=O)CCc1cncc(F)c1 Amb25034788 [0,1,0,0,0,1|2,0,0]=4 1936 B12R1.226 CC(=O)NCc1cc(C)ccn1 Amb28346534 [0,1,0,0,0,1|2,0,0]=4 1937 B12R1.226 CC(=O)NCc1cc(Cl)ccn1 Amb27178059 [0,1,0,0,0,1|2,0,0]=4 1938 B12R1.226 CC(=O)NCc1cccc(Br)c1 Amb2085743 [0,1,0,0,0,1|2,0,0]=4 1939 B12R1.226 CC(=O)NCc1cccc(Cl)c1 Amb2023612 [0,1,0,0,0,1|2,0,0]=4 1940 B12R1.226 CC(=O)NCc1cccc(F)c1 Amb33546305 [0,1,0,0,0,1|2,0,0]=4 1941 B12R1.226 CC(=O)NCc1cccc(F)n1 Amb27980321 [0,1,0,0,0,1|2,0,0]=4 1942 B12R1.226 CC(=O)NCc1cccc(I)c1 Amb25148829 [0,1,0,0,0,1|2,0,0]=4 1943 B12R1.226 CC(=O)NCc1cccc(N)c1 Amb18286659 [0,1,0,0,0,1|2,0,0]=4 1944 B12R1.226 CC(=O)NCc1cccc(N)n1 Amb13890642 [0,1,0,0,0,1|2,0,0]=4 1945 B12R1.226 CC(=O)NCc1ccnc(N)n1 Amb29847860 [0,1,0,0,0,1|2,0,0]=4 1946 B12R1.226 CC(=O)NCc1nccc(C)n1 Amb23535928 [0,1,0,0,0,1|2,0,0]=4 1947 B12R1.226 CC(=O)OCC1=CC(=O)C=NN1 Amb27176109 [0,1,0,0,0,1|1,0,0]=3 1948 B12R1.226 CC(=O)OCC1=CC(=O)CCC1 Amb27178027 [0,1,0,0,0,1|1,0,1]=4 1949 B12R1.226 CC(=O)OC[C@@H]1CC(=O)C=CO1 Amb28322034 [0,1,0,0,0,1|0,0,1]=3 1950 B12R1.226 CC(=O)OCc1cc(Cl)ccn1 Amb27197884 [0,1,0,0,0,1|1,0,0]=3 1951 B12R1.226 CC(=O)OCc1cccc(F)n1 Amb27633687 [0,1,0,0,0,1|1,0,0]=3 1952 B12R1.226 CC(=O)OCc1cccc(N)c1 Amb22229178 [0,1,0,0,0,1|1,0,0]=3 1953 B12R1.226 CC(=O)OCc1cccc(O)c1 Amb26427066 [0,1,0,0,0,1|1,0,0]=3 1954 B12R1.226 CC(=O)OCc1cccn(=O)c1 Amb20247038 [0,1,0,0,0,1|1,0,0]=3 1955 B12R1.226 CC(=O)OCc1ccnc(C)n1 Amb28291784 [0,1,0,0,0,1|1,0,0]=3 1956 B12R1.226 CC(=O)OCc1cncc(F)c1 Amb28208060 [0,1,0,0,0,1|1,0,0]=3 1957 B12R1.226 CC(=O)OCc1nccc(C)n1 Amb24183819 [0,1,0,0,0,1|1,0,0]=3 1958 B12R1.226 CC(=O)ONC1=NC(=O)NC=C1 Amb27178289 [0,1,0,0,0,1|2,0,0]=4 1959 B12R1.226 CC(=O)SCc1cccc(Cl)c1 Amb22231632 [0,1,0,0,0,1|1,1,0]=4 1960 B12R1.226 CC(=O)SCc1cccc(I)c1 Amb27770074 [0,1,0,0,0,1|1,1,0]=4 1961 B12R1.226 CC(=O)SCc1cccc(N)n1 Amb27642808 [0,1,0,0,0,1|1,1,0]=4 1962 B12R1.226 Cc1cccc(COC(=O)Cl)n1 Amb33297386 [0,1,0,0,0,1|2,0,0]=4 1963 B12R1.226 Cc1cccc(COC(N)=O)c1 Amb27165818 [0,1,0,0,0,1|2,0,0]=4 1964 B12R1.226 NC(=O)OCc1cccc(F)c1 Amb27392390 [0,1,0,0,0,1|2,0,0]=4 1965 B12R1.226 O=C(Cl)OCc1cc(Cl)ccn1 Amb33297078 [0,1,0,0,0,1|2,0,0]=4 1966 B12R1.226 O=C(Cl)OCc1cccc(Cl)c1 Amb26597913 [0,1,0,0,0,1|2,0,0]=4 1967 B12R1.226 O=C(Cl)OCc1ccnc(Br)c1 Amb33297291 [0,1,0,0,0,1|2,0,0]=4 1968 B12R1.226 O=C(Cl)OCc1ccnc(Cl)c1 Amb33297091 [0,1,0,0,0,1|2,0,0]=4 1969 B12R1.226 O=C(O)CCC1=CC=CC(=O)O1 Amb27865517 [0,1,0,0,0,1|2,0,0]=4 1970 B12R1.891 CS(=O)(=O)OCc1ccccc1 Amb25938812 [0,1,0,0,0,1|2,0,0]=4 1971 B12R1.891 CS(=O)(=O)OCc1ccccn1 Amb25322928 [0,1,0,0,0,1|2,0,0]=4 1972 B12R1.54 CC(=O)CCC(=O)c1ccco1 Amb2425618 [0,1,0,0,0,1|1,0,0]=3 1973 B12R1.54 CC(=O)CCC(=O)c1cccs1 Amb2768637 [0,1,0,0,0,1|1,1,0]=4 1974 B12R1.54 CC(=O)CCC(Cl)c1ccco1 Amb17401089 [0,1,0,0,0,1|1,0,0]=3 1975 B12R1.54 CC(=O)CCC(Cl)c1cccs1 Amb17402623 [0,1,0,0,0,1|1,1,0]=4 1976 B12R1.54 CC(=O)CNC(=O)c1ccco1 Amb28145550 [0,1,0,0,0,1|1,0,1]=4 1977 B12R1.54 CC(=O)NCC(=O)c1cccs1 Amb17335632 [0,1,0,0,0,1|1,1,0]=4 1978 B12R1.54 CC(=O)NCC(O)c1ccco1 Amb24356097 [0,1,0,0,0,1|1,0,0]=3 1979 B12R1.54 CC(=O)NCC(O)c1cccs1 Amb17335755 [0,1,0,0,0,1|1,1,0]=4 1980 B12R1.54 CC(=O)NNC(=O)c1ccco1 Amb4066351 [0,1,0,0,0,1|1,0,1]=4 1981 B12R1.54 CC(C#CC(=O)O)c1ccco1 Amb33169049 [0,1,0,0,0,1|2,0,0]=4 1982 B12R1.54 NC(=O)CCC(=O)c1ccco1 Amb17334694 [0,1,0,0,0,1|2,0,0]=4 1983 B12R1.54 NC(=O)CCC(O)c1ccco1 Amb17334756 [0,1,0,0,0,1|2,0,0]=4 1984 B12R1.54 NC(=O)COC(=O)c1ccco1 Amb30867166 [0,1,0,0,0,1|1,0,1]=4 1985 B12R1.54 NC(CCC(=O)O)c1ccco1 Amb33079728 [0,1,0,0,0,1|2,0,0]=4 1986 B12R1.54 O=C(O)CCC(=O)c1ccco1 Amb2721880 [0,1,0,0,0,1|2,0,0]=4 1987 B12R1.105 CC(=N)NCCc1ccc(C)o1 Amb29857355 [0,1,0,0,0,1|2,0,0]=4 1988 B12R1.105 CC(=O)CSCc1ccc(Cl)o1 Amb32788965 [0,1,0,0,0,1|0,1,0]=3 1989 B12R1.105 CC(=O)NCCc1ccc(C)s1 Amb27224603 [0,1,0,0,0,1|1,1,0]=4 1990 B12R1.105 CC(=O)NCCc1ccc(I)s1 Amb20642134 [0,1,0,0,0,1|1,1,0]=4 1991 B12R1.105 CC(=O)NOCc1cc(C)on1 Amb27484368 [0,1,0,0,0,1|2,0,0]=4 1992 B12R1.105 CC(=O)NOCc1ccc(Br)s1 Amb27661997 [0,1,0,0,0,1|0,1,0]=3 1993 B12R1.105 CC(=O)NOCc1ccc(Cl)s1 Amb28188106 [0,1,0,0,0,1|0,1,0]=3 1994 B12R1.105 CC(=O)NOCc1nc(C)cs1 Amb28207972 [0,1,0,0,0,1|1,1,0]=4 1995 B12R1.105 CC(=O)NOCc1ncc(Cl)s1 Amb27661921 [0,1,0,0,0,1|1,1,0]=4 1996 B12R1.105 CC(=O)OCCn1cc(Br)cn1 Amb13884502 [0,1,0,0,0,1|2,0,0]=4 1997 B12R1.105 C\C(N)=N\CCc1ccc(Br)o1 Amb27660399 [0,1,0,0,0,1|2,0,0]=4 1998 B12R1.105 C\C(N)=N\CCc1ccc(C)o1 Amb27751506 [0,1,0,0,0,1|2,0,0]=4 1999 B12R1.105 Cc1cc(COCC(=O)O)on1 Amb6891391 [0,1,0,0,0,1|2,0,0]=4 2000 B12R1.105 Cc1ccc(CCCC(=O)O)o1 Amb18646924 [0,1,0,0,0,1|2,0,0]=4 2001 B12R1.105 Cc1ccc(CCNC(=O)Cl)o1 Amb35625681 [0,1,0,0,0,1|2,0,0]=4 2002 B12R1.105 Cc1ccc(CNCC(=O)O)o1 Amb2592350 [0,1,0,0,0,1|2,0,0]=4 2003 B12R1.105 Cc1cnc(COCC(=O)O)o1 Amb32420391 [0,1,0,0,0,1|2,0,0]=4 2004 B12R1.105 NC(=O)CSCc1ccc(Cl)o1 Amb32789089 [0,1,0,0,0,1|1,1,0]=4 2005 B12R1.105 NC(=O)NOCc1ccc(Br)s1 Amb27451557 [0,1,0,0,0,1|1,1,0]=4 2006 B12R1.105 O=C(O)CCCc1cc(Br)co1 Amb33431934 [0,1,0,0,0,1|2,0,0]=4 2007 B12R1.105 O=C(O)CCCc1ccc(Br)o1 Amb33430581 [0,1,0,0,0,1|2,0,0]=4 2008 B12R1.105 O=C(O)CCCc1ccc(Cl)o1 Amb33258669 [0,1,0,0,0,1|2,0,0]=4 2009 B12R1.105 O=C(O)CSCc1ccc(Cl)o1 Amb32789190 [0,1,0,0,0,1|1,1,0]=4 2010 B12R1.130 CC(=O)CSCc1occc1C Amb32987863 [0,1,0,0,0,1|0,1,0]=3 2011 B12R1.130 CC(=O)NOCc1sccc1Cl Amb28188058 [0,1,0,0,0,1|0,1,0]=3 2012 B12R1.130 CC(=O)N\N=C\c1occc1Br Amb27662014 [0,1,0,0,0,1|1,0,1]=4 2013 B12R1.130 CC(=O)OCCc1scnc1C Amb6356286 [0,1,0,0,0,1|1,1,0]=4 2014 B12R1.130 CC(C)=CCCc1occc1Br Amb35582929 [0,1,0,0,0,1|2,0,0]=4 2015 B12R1.130 Cc1ccoc1CCCC(=O)O Amb33343124 [0,1,0,0,0,1|2,0,0]=4 2016 B12R1.130 Cc1ccoc1CSCC(=O)O Amb32987538 [0,1,0,0,0,1|1,1,0]=4 2017 B12R1.130 Cc1ccoc1CSCC(N)=O Amb32987684 [0,1,0,0,0,1|1,1,0]=4 2018 B12R1.130 O=C(Cl)OCCc1sccc1Br Amb33297147 [0,1,0,0,0,1|1,1,0]=4 2019 B12R1.260 CC(=O)C\C(C)=C\c1ccco1 Amb33311977 [0,1,0,0,0,1|1,0,1]=4 2020 B12R1.260 CC(=O)NC(C)Cc1ccco1 Amb13798432 [0,1,0,0,0,1|1,0,0]=3 2021 B12R1.260 CC(=O)\C=C(\C)Cc1cccs1 Amb29859826 [0,1,0,0,0,1|1,1,0]=4 2022 B12R1.260 CC(C)=CC(=O)Cc1ccco1 Amb27867279 [0,1,0,0,0,1|2,0,0]=4 2023 B12R1.260 CC(CC(=O)O)Cc1ccco1 Amb17334712 [0,1,0,0,0,1|2,0,0]=4 2024 B12R1.260 CC(Cc1ccco1)NC(=O)Cl Amb35625727 [0,1,0,0,0,1|2,0,0]=4 2025 B12R1.260 CN(CC(=O)O)Cc1ccco1 Amb9239052 [0,1,0,0,0,1|2,0,0]=4 2026 B12R1.260 C\C(Cc1ccco1)=N\S(C)=O Amb35692856 [0,1,0,0,0,1|2,0,0]=4 2027 B12R1.260 NC(=O)NC(=O)Cc1ccco1 Amb27668980 [0,1,0,0,0,1|2,0,0]=4 2028 B12R1.260 NC(CC(=O)O)Cc1ccco1 Amb17470474 [0,1,0,0,0,1|2,0,0]=4 2029 B12R1.260 N[C@H](CC(=O)O)Cc1ccco1 Amb2699215 [0,1,0,0,0,1|2,0,0]=4 2030 B12R1.260 O=C(O)CS(=O)Cc1ccco1 Amb8391046 [0,1,0,0,0,1|1,1,0]=4 2031 B12R1.264 C=C(C)C(=O)OCc1ccco1 Amb17934055 [0,1,0,0,0,1|1,0,0]=3 2032 B12R1.264 CC(=O)C(=O)NCc1ccco1 Amb17400230 [0,1,0,0,0,1|1,0,0]=3 2033 B12R1.264 CC(CCc1ccco1)C(=O)O Amb17232664 [0,1,0,0,0,1|2,0,0]=4 2034 B12R1.264 CC(NCc1ccco1)C(=O)O Amb2592333 [0,1,0,0,0,1|2,0,0]=4 2035 B12R1.264 CC(SCc1ccco1)C(=O)O Amb2721954 [0,1,0,0,0,1|1,1,0]=4 2036 B12R1.264 NC(CCc1ccco1)C(=O)O Amb17470473 [0,1,0,0,0,1|2,0,0]=4 2037 B12R1.264 O=C(O)C(=O)NCc1ccco1 Amb9238897 [0,1,0,0,0,1|2,0,0]=4 2038 B12R1.477 CNC(=O)N\C=C\c1ccco1 Amb2421768 [0,1,0,0,0,1|1,0,1]=4 2039 B12R1.477 CNC(=S)NCCc1ccco1 Amb27600456 [0,1,0,0,0,1|1,1,0]=4 2040 B12R1.477 CNC(=S)NNCc1ccco1 Amb28240947 [0,1,0,0,0,1|1,1,0]=4 2041 B12R1.477 COC(=O)CCCc1cccs1 Amb448996 [0,1,0,0,0,1|1,1,0]=4 2042 B12R1.477 COC(=O)CNCc1ccco1 Amb6686981 [0,1,0,0,0,1|1,0,0]=3 2043 B12R1.477 COC(=O)COCc1ccco1 Amb9202943 [0,1,0,0,0,1|0,0,0]=2 2044 B12R1.477 COC(=O)CSCc1ccco1 Amb6357576 [0,1,0,0,0,1|0,1,0]=3 2045 B12R1.477 COC(=O)N\N=C\c1ccco1 Amb3355117 [0,1,0,0,0,1|1,0,1]=4 2046 B12R1.477 C\C(C=O)=C/C=C/c1ccco1 Amb27178060 [0,1,0,0,0,1|1,0,1]=4 2047 B12R1.477 C\C(C=O)=C\C#Cc1ccco1 Amb27636959 [0,1,0,0,0,1|1,0,1]=4 2048 B12R1.477 NCC(=O)NCCc1cccs1 Amb5783057 [0,1,0,0,0,1|1,1,0]=4 2049 B12R1.477 NCC(O)COCc1ccco1 Amb1058501 [0,1,0,0,0,1|0,0,2]=4 2050 B12R1.477 O=C(CBr)NCCc1cccs1 Amb17333422 [0,1,0,0,0,1|1,1,0]=4 2051 B12R1.477 O=C(CCl)NCCc1ccco1 Amb17329057 [0,1,0,0,0,1|1,0,0]=3 2052 B12R1.477 O=C(CCl)NCCc1cccs1 Amb1106069 [0,1,0,0,0,1|1,1,0]=4 2053 B12R1.15 C=CC(=O)NC(C)c1ccco1 Amb9481005 [0,2,0,0,0,0|1,0,1]=4 2054 B12R1.15 C=CC(=O)N[C@H](C)c1ccco1 Amb28324897 [0,2,0,0,0,0|1,0,1]=4 2055 B12R1.15 CC(NC(=O)CBr)c1ccco1 Amb17330601 [0,2,0,0,0,0|1,0,0]=3 2056 B12R1.15 CC(NC(=O)CBr)c1cccs1 Amb17327134 [0,2,0,0,0,0|1,1,0]=4 2057 B12R1.15 CC(NC(=O)CCl)c1ccco1 Amb1158018 [0,2,0,0,0,0|1,0,0]=3 2058 B12R1.15 CC(NC(=O)CCl)c1cccs1 Amb2304588 [0,2,0,0,0,0|1,1,0]=4 2059 B12R1.15 CC(NC(=O)CN)c1cccs1 Amb9255782 [0,2,0,0,0,0|1,1,0]=4 2060 B12R1.15 CC(NC(=O)CO)c1cccs1 Amb9421686 [0,2,0,0,0,0|1,1,0]=4 2061 B12R1.15 CCC(=O)CC(=O)c1ccco1 Amb7766344 [0,2,0,0,0,0|1,0,1]=4 2062 B12R1.15 CCC(=O)NC(C)c1cccs1 Amb1773608 [0,2,0,0,0,0|1,1,0]=4 2063 B12R1.15 CNC(=O)CC(C)c1cccs1 Amb17234025 [0,2,0,0,0,0|1,1,0]=4 2064 B12R1.15 CNC(=O)CC(N)c1ccco1 Amb17232665 [0,2,0,0,0,0|1,0,0]=3 2065 B12R1.15 CNC(=O)CC(N)c1cccs1 Amb17234096 [0,2,0,0,0,0|1,1,0]=4 2066 B12R1.15 CNC(=O)CC(O)c1cccs1 Amb27413645 [0,2,0,0,0,0|1,1,0]=4 2067 B12R1.15 CNC(=O)NC(=O)c1ccco1 Amb25201628 [0,2,0,0,0,0|1,0,1]=4 2068 B12R1.15 CNC(=O)NC(C)c1cccs1 Amb27810651 [0,2,0,0,0,0|1,1,0]=4 2069 B12R1.15 CNC(=O)N[C@H](C)c1cccs1 Amb27591316 [0,2,0,0,0,0|1,1,0]=4 2070 B12R1.15 CNC(=S)NC(C)c1ccco1 Amb27840656 [0,2,0,0,0,0|1,1,0]=4 2071 B12R1.15 COC(=O)CC(=O)c1ccco1 Amb2688611 [0,2,0,0,0,0|1,0,1]=4 2072 B12R1.15 COC(=O)CC(C)c1cccs1 Amb17234093 [0,2,0,0,0,0|1,1,0]=4 2073 B12R1.15 COC(=O)CC(N)c1ccco1 Amb34913732 [0,2,0,0,0,0|1,0,0]=3 2074 B12R1.15 COC(=O)CC(N)c1ccco1 Amb9211622 [0,2,0,0,0,0|1,0,0]=3 2075 B12R1.15 COC(=O)CC(N)c1cccs1 Amb322801 [0,2,0,0,0,0|1,1,0]=4 2076 B12R1.15 COC(=O)CC(N)c1cccs1 Amb3428080 [0,2,0,0,0,0|1,1,0]=4 2077 B12R1.15 COC(=O)CC(O)c1ccco1 Amb33172320 [0,2,0,0,0,0|1,0,0]=3 2078 B12R1.15 COC(=O)CC(O)c1cccs1 Amb22301486 [0,2,0,0,0,0|1,1,0]=4 2079 B12R1.15 COC(=O)CC(O)c1cnco1 Amb33321245 [0,2,0,0,0,0|2,0,0]=4 2080 B12R1.15 COC(=O)C[C@@H](N)c1ccco1 Amb18793277 [0,2,0,0,0,0|1,0,0]=3 2081 B12R1.15 COC(=O)C[C@@H](N)c1cccs1 Amb19057941 [0,2,0,0,0,0|1,1,0]=4 2082 B12R1.15 COC(=O)C[C@@H](O)c1ccco1 Amb33358491 [0,2,0,0,0,0|1,0,0]=3 2083 B12R1.15 COC(=O)C[C@@H](O)c1cccs1 Amb33449973 [0,2,0,0,0,0|1,1,0]=4 2084 B12R1.15 COC(=O)C[C@@H](O)c1cnco1 Amb33320670 [0,2,0,0,0,0|2,0,0]=4 2085 B12R1.15 COC(=O)C[C@H](N)c1ccco1 Amb32793679 [0,2,0,0,0,0|1,0,0]=3 2086 B12R1.15 COC(=O)C[C@H](N)c1cccs1 Amb32793677 [0,2,0,0,0,0|1,1,0]=4 2087 B12R1.15 COC(=O)C[C@H](O)c1ccco1 Amb33079206 [0,2,0,0,0,0|1,0,0]=3 2088 B12R1.15 COC(=O)C[C@H](O)c1cccs1 Amb32953969 [0,2,0,0,0,0|1,1,0]=4 2089 B12R1.15 COC(=O)C[C@H](O)c1cnco1 Amb33226894 [0,2,0,0,0,0|2,0,0]=4 2090 B12R1.15 C[C@@H](NC(=O)CCl)c1ccco1 Amb28066251 [0,2,0,0,0,0|1,0,0]=3 2091 B12R1.15 C[C@H](NC(=O)CCl)c1ccco1 Amb27267605 [0,2,0,0,0,0|1,0,0]=3 2092 B12R1.15 NNC(=O)CC(O)c1ccco1 Amb27650391 [0,2,0,0,0,0|2,0,0]=4 2093 B12R1.15 O=C(CCl)NC(=O)c1ccco1 Amb465504 [0,2,0,0,0,0|1,0,1]=4 2094 B12R1.26 C#CC(=O)NCc1ccc(C)o1 Amb30017341 [0,2,0,0,0,0|1,0,1]=4 2095 B12R1.26 C=CC(=O)NCc1ccc(C)o1 Amb18800900 [0,2,0,0,0,0|1,0,1]=4 2096 B12R1.26 C=CC(=O)NCc1ccc(Cl)o1 Amb35646279 [0,2,0,0,0,0|1,0,1]=4 2097 B12R1.26 CC(C=O)SCc1ccc(Cl)o1 Amb32789009 [0,2,0,0,0,0|0,1,1]=4 2098 B12R1.26 CCC(=N)NCc1ccc(Cl)o1 Amb35635350 [0,2,0,0,0,0|2,0,0]=4 2099 B12R1.26 CCC(=O)NCc1cc(Br)cs1 Amb28122590 [0,2,0,0,0,0|1,1,0]=4 2100 B12R1.26 CCC(=O)NCc1cc(C)cs1 Amb28128426 [0,2,0,0,0,0|1,1,0]=4 2101 B12R1.26 CNC(=N)NCc1ccc(C)o1 Amb18805642 [0,2,0,0,0,0|2,0,0]=4 2102 B12R1.26 CNC(=N)NCc1ccc(Cl)o1 Amb35638802 [0,2,0,0,0,0|2,0,0]=4 2103 B12R1.26 CNC(=O)CCc1cc(Br)cs1 Amb25107581 [0,2,0,0,0,0|1,1,0]=4 2104 B12R1.26 CNC(=O)NCc1cc(Br)cs1 Amb11400771 [0,2,0,0,0,0|1,1,0]=4 2105 B12R1.26 CNC(=O)NCc1ccc(Br)o1 Amb28293931 [0,2,0,0,0,0|1,0,0]=3 2106 B12R1.26 CNC(=O)NCc1ccc(Cl)o1 Amb27761251 [0,2,0,0,0,0|1,0,0]=3 2107 B12R1.26 CNC(=O)NCc1ccc(Cl)s1 Amb11301836 [0,2,0,0,0,0|1,1,0]=4 2108 B12R1.26 CNC(=O)NCc1cnc(C)o1 Amb27216970 [0,2,0,0,0,0|2,0,0]=4 2109 B12R1.26 CNC(=O)OCc1cnc(C)s1 Amb28364950 [0,2,0,0,0,0|1,1,0]=4 2110 B12R1.26 CNC(=O)OCc1csc(C)n1 Amb28287311 [0,2,0,0,0,0|2,0,0]=4 2111 B12R1.26 CNC(=O)\C=C\c1ccc(Br)o1 Amb27389224 [0,2,0,0,0,0|1,0,1]=4 2112 B12R1.26 CNC(=S)NCc1ccc(Br)o1 Amb27187582 [0,2,0,0,0,0|1,1,0]=4 2113 B12R1.26 COC(=O)C#Cc1ccc(Cl)o1 Amb27242095 [0,2,0,0,0,0|1,0,1]=4 2114 B12R1.26 COC(=O)CCc1cc(Br)no1 Amb19650949 [0,2,0,0,0,0|2,0,0]=4 2115 B12R1.26 COC(=O)CCc1cc(Cl)no1 Amb535469 [0,2,0,0,0,0|2,0,0]=4 2116 B12R1.26 COC(=O)NCc1cc(Br)cs1 Amb27614554 [0,2,0,0,0,0|1,1,0]=4 2117 B12R1.26 COC(=O)\C=C\c1cc(C)co1 Amb27438727 [0,2,0,0,0,0|1,0,1]=4 2118 B12R1.26 COC(=O)\C=C\c1ccc(Br)o1 Amb22342228 [0,2,0,0,0,0|1,0,1]=4 2119 B12R1.26 COC(=O)\C=C\c1ccc(C)o1 Amb22009458 [0,2,0,0,0,0|1,0,1]=4 2120 B12R1.26 COC(=O)\C=C\c1ccc(Cl)o1 Amb25723979 [0,2,0,0,0,0|1,0,1]=4 2121 B12R1.26 C\C(CCc1ccc(C)o1)=N\O Amb27265871 [0,2,0,0,0,0|1,0,1]=4 2122 B12R1.26 C\N=C(\N)NCc1ccc(Cl)o1 Amb25050996 [0,2,0,0,0,0|2,0,0]=4 2123 B12R1.26 Cc1ccc(CNC(=O)CBr)s1 Amb27221488 [0,2,0,0,0,0|1,1,0]=4 2124 B12R1.26 Cc1ccc(CNC(=O)CCl)o1 Amb19077082 [0,2,0,0,0,0|1,0,0]=3 2125 B12R1.26 Cc1ccc(CNC(=O)CCl)s1 Amb19514464 [0,2,0,0,0,0|1,1,0]=4 2126 B12R1.26 Cc1cnc(CNC(=O)CBr)o1 Amb27662755 [0,2,0,0,0,0|2,0,0]=4 2127 B12R1.26 Cc1cnc(CNC(=O)CN)o1 Amb25980167 [0,2,0,0,0,0|2,0,0]=4 2128 B12R1.26 Cc1csc(CNC(=O)CCl)c1 Amb28253371 [0,2,0,0,0,0|1,1,0]=4 2129 B12R1.26 Cc1csc(CNC(=O)CS)c1 Amb27265269 [0,2,0,0,0,0|1,1,0]=4 2130 B12R1.26 NCC(=O)NCc1cc(Br)cs1 Amb18246351 [0,2,0,0,0,0|1,1,0]=4 2131 B12R1.26 NCC(=O)NCc1ccc(Cl)o1 Amb30035964 [0,2,0,0,0,0|1,0,0]=3 2132 B12R1.26 NCC(=O)NCc1ccc(Cl)s1 Amb18244062 [0,2,0,0,0,0|1,1,0]=4 2133 B12R1.26 NNC(=O)NCc1ccc(Cl)o1 Amb35646288 [0,2,0,0,0,0|2,0,0]=4 2134 B12R1.26 O=C(CBr)NCc1ccc(Br)s1 Amb27835262 [0,2,0,0,0,0|1,1,0]=4 2135 B12R1.26 O=C(CBr)NCc1ccc(Cl)o1 Amb35646281 [0,2,0,0,0,0|1,0,0]=3 2136 B12R1.26 O=C(CCl)NCc1cc(Br)cs1 Amb19514483 [0,2,0,0,0,0|1,1,0]=4 2137 B12R1.26 O=C(CCl)NCc1ccc(Cl)s1 Amb19514441 [0,2,0,0,0,0|1,1,0]=4 2138 B12R1.26 O=C(CO)NCc1ccc(Br)o1 Amb28458029 [0,2,0,0,0,0|1,0,0]=3 2139 B12R1.26 O=C(CO)NCc1ccc(Br)s1 Amb28061801 [0,2,0,0,0,0|1,1,0]=4 2140 B12R1.26 O=C(CO)NCc1ccc(Cl)s1 Amb28458024 [0,2,0,0,0,0|1,1,0]=4 2141 B12R1.26 O=C(CS)NCc1cc(Br)cs1 Amb27614595 [0,2,0,0,0,0|1,1,0]=4 2142 B12R1.26 O=C(CS)NCc1ccc(Br)s1 Amb27620992 [0,2,0,0,0,0|1,1,0]=4 2143 B12R1.26 O=C(CS)NCc1ccc(Cl)o1 Amb30036289 [0,2,0,0,0,0|1,0,0]=3 2144 B12R1.51 C#CCC(=O)NCc1ccco1 Amb35727900 [0,2,0,0,0,0|1,0,0]=3 2145 B12R1.51 C#CCC(=O)NCc1cccs1 Amb35702242 [0,2,0,0,0,0|1,1,0]=4 2146 B12R1.51 C#CCC(=O)NCc1ccno1 Amb35692330 [0,2,0,0,0,0|2,0,0]=4 2147 B12R1.51 CC#CC(=O)NCc1cccs1 Amb28454618 [0,2,0,0,0,0|1,1,0]=4 2148 B12R1.51 CC(=C\C=O)\C=C\c1ccco1 Amb28201028 [0,2,0,0,0,0|1,0,1]=4 2149 B12R1.51 CC(\C=C\c1ccco1)=C/C=O Amb27748619 [0,2,0,0,0,0|1,0,1]=4 2150 B12R1.51 CCNC(=N)NCc1ccco1 Amb18798817 [0,2,0,0,0,0|2,0,0]=4 2151 B12R1.51 CCNC(=S)NCc1ccco1 Amb617866 [0,2,0,0,0,0|1,1,0]=4 2152 B12R1.51 CCOC(=O)C#Cc1ccco1 Amb27401496 [0,2,0,0,0,0|1,0,1]=4 2153 B12R1.51 CCOC(=O)CCc1ccco1 Amb6357512 [0,2,0,0,0,0|1,0,0]=3 2154 B12R1.51 CCOC(=O)\C=C\c1ccco1 Amb1033025 [0,2,0,0,0,0|1,0,1]=4 2155 B12R1.51 CNCC(=O)NCc1ccco1 Amb13951291 [0,2,0,0,0,0|1,0,0]=3 2156 B12R1.51 CNCC(=O)NCc1ccco1 Amb418935 [0,2,0,0,0,0|1,0,0]=3 2157 B12R1.51 CNCC(=O)NCc1cccs1 Amb19373753 [0,2,0,0,0,0|1,1,0]=4 2158 B12R1.51 CNCC(=O)NCc1cccs1 Amb8866638 [0,2,0,0,0,0|1,1,0]=4 2159 B12R1.51 CONC(=O)NCc1ccco1 Amb28283432 [0,2,0,0,0,0|1,0,0]=3 2160 B12R1.51 CONC(=O)NCc1cccs1 Amb28282474 [0,2,0,0,0,0|1,1,0]=4 2161 B12R1.51 C\C=C\C(=O)NCc1ccno1 Amb27806649 [0,2,0,0,0,0|2,0,0]=4 2162 B12R1.51 N#CCC(=O)CCc1ccco1 Amb7768255 [0,2,0,0,0,0|1,0,0]=3 2163 B12R1.51 N#CCC(=O)CCc1cccs1 Amb17233558 [0,2,0,0,0,0|1,1,0]=4 2164 B12R1.51 N#CCC(=O)NCc1ccco1 Amb6334825 [0,2,0,0,0,0|1,0,0]=3 2165 B12R1.51 N#CCC(=O)NCc1cccs1 Amb6466024 [0,2,0,0,0,0|1,1,0]=4 2166 B12R1.51 N#CCC(=O)NCc1ccno1 Amb27954746 [0,2,0,0,0,0|2,0,0]=4 2167 B12R1.51 N#CCC(=O)\C=C\c1ccco1 Amb24434538 [0,2,0,0,0,0|1,0,1]=4 2168 B12R1.51 NCCC(=O)NCc1ccco1 Amb1127809 [0,2,0,0,0,0|1,0,0]=3 2169 B12R1.51 NCCC(=O)NCc1cccs1 Amb5782701 [0,2,0,0,0,0|1,1,0]=4 2170 B12R1.51 O=C(CCBr)NCc1ccco1 Amb17323760 [0,2,0,0,0,0|1,0,0]=3 2171 B12R1.51 O=C(CCBr)NCc1cccs1 Amb17324547 [0,2,0,0,0,0|1,1,0]=4 2172 B12R1.51 O=C(CCCl)NCc1ccco1 Amb1137792 [0,2,0,0,0,0|1,0,0]=3 2173 B12R1.51 O=C(CCCl)NCc1cccs1 Amb6512904 [0,2,0,0,0,0|1,1,0]=4 2174 B12R1.51 O=C(CCO)NCc1ccco1 Amb17334760 [0,2,0,0,0,0|1,0,0]=3 2175 B12R1.51 O=C=NC(=O)CCc1ccco1 Amb17232514 [0,2,0,0,0,0|1,0,1]=4 2176 B12R1.108 CN(Cc1ccco1)C(=O)CCl Amb1107558 [0,2,0,0,0,0|1,0,0]=3 2177 B12R1.108 CN(Cc1ccco1)C(=O)CN Amb9250410 [0,2,0,0,0,0|1,0,0]=3 2178 B12R1.108 CN(Cc1ccco1)C(=O)CO Amb1109719 [0,2,0,0,0,0|1,0,0]=3 2179 B12R1.108 CN(Cc1cccs1)C(=O)CCl Amb2303184 [0,2,0,0,0,0|1,1,0]=4 2180 B12R1.108 CNC(=O)C(C)Cc1cccs1 Amb27599147 [0,2,0,0,0,0|1,1,0]=4 2181 B12R1.108 CNC(=O)N(C)Cc1cccs1 Amb20513579 [0,2,0,0,0,0|1,1,0]=4 2182 B12R1.108 CNC(=O)[C@H](N)Cc1ccco1 Amb28384625 [0,2,0,0,0,0|1,0,0]=3 2183 B12R1.108 COC(=O)C(=O)Cc1ccco1 Amb17138626 [0,2,0,0,0,0|1,0,0]=3 2184 B12R1.108 COC(=O)C(N)Cc1ccco1 Amb33308805 [0,2,0,0,0,0|1,0,0]=3 2185 B12R1.108 COC(=O)C(N)Cc1cccs1 Amb32665943 [0,2,0,0,0,0|1,1,0]=4 2186 B12R1.108 COC(=O)C(N)Cc1cccs1 Amb33330278 [0,2,0,0,0,0|1,1,0]=4 2187 B12R1.108 COC(=O)C(N)Cc1ccno1 Amb33726912 [0,2,0,0,0,0|2,0,0]=4 2188 B12R1.108 COC(=O)C(O)Cc1ccco1 Amb17138659 [0,2,0,0,0,0|1,0,0]=3 2189 B12R1.108 COC(=O)C(O)Cc1cccs1 Amb17139129 [0,2,0,0,0,0|1,1,0]=4 2190 B12R1.108 COC(=O)C(O)Cc1cnco1 Amb33319966 [0,2,0,0,0,0|2,0,0]=4 2191 B12R1.108 COC(=O)N(C)Cc1ccco1 Amb2389217 [0,2,0,0,0,0|1,0,0]=3 2192 B12R1.108 COC(=O)[C@@H](N)Cc1cccs1 Amb19149172 [0,2,0,0,0,0|1,1,0]=4 2193 B12R1.108 C\C(=C/c1ccco1)C(=O)CCl Amb33256373 [0,2,0,0,0,0|1,0,1]=4 2194 B12R1.108 C\C(=C/c1ccco1)C(=O)CN Amb33311971 [0,2,0,0,0,0|1,0,1]=4 2195 B12R1.196 CCS(=O)(=O)NCc1ccco1 Amb17737243 [0,2,0,0,0,0|2,0,0]=4 2196 B12R1.297 C\N=C(\NC)NCc1ccco1 Amb27640228 [0,2,0,0,0,0|2,0,0]=4 2197 B12R1.353 C#CC(=O)NCc1occc1C Amb29868797 [0,2,0,0,0,0|1,0,1]=4 2198 B12R1.353 C=CC(=O)NCc1occc1C Amb27187867 [0,2,0,0,0,0|1,0,1]=4 2199 B12R1.353 CCC(=O)NCc1sccc1C Amb28366403 [0,2,0,0,0,0|1,1,0]=4 2200 B12R1.353 CNC(=O)OCc1nccn1C Amb2613546 [0,2,0,0,0,0|2,0,0]=4 2201 B12R1.353 COC(=O)C#Cc1occc1C Amb27974460 [0,2,0,0,0,0|1,0,1]=4 2202 B12R1.353 COC(=O)NCc1cccn1C Amb28383879 [0,2,0,0,0,0|2,0,0]=4 2203 B12R1.353 Cc1ccoc1CSC(C)C=O Amb32987901 [0,2,0,0,0,0|0,1,1]=4 2204 B12R1.353 Cc1ccsc1CNC(=O)CCl Amb19514439 [0,2,0,0,0,0|1,1,0]=4 2205 B12R1.353 Cc1ccsc1CNC(=O)CN Amb21862090 [0,2,0,0,0,0|1,1,0]=4 2206 B12R1.353 Cc1ncoc1CNC(=O)CN Amb28369915 [0,2,0,0,0,0|2,0,0]=4 2207 B12R1.353 Cn1cccc1CNC(=O)CN Amb27983420 [0,2,0,0,0,0|2,0,0]=4 2208 B12R1.353 O=C(CBr)NCc1sccc1Br Amb27217847 [0,2,0,0,0,0|1,1,0]=4 2209 B12R1.104 CC(=O)C(C)Cc1ccc(Br)s1 Amb27489212 [0,2,0,0,0,0|1,1,0]=4 2210 B12R1.104 CC(=O)N(C)Cc1ccc(Br)s1 Amb8272608 [0,2,0,0,0,0|1,1,0]=4 2211 B12R1.104 CC(=O)N(C)Cc1ccc(Cl)s1 Amb8258977 [0,2,0,0,0,0|1,1,0]=4 2212 B12R1.104 CC(=O)N(O)Cc1ccc(Cl)s1 Amb27770914 [0,2,0,0,0,0|1,1,0]=4 2213 B12R1.104 CC(Cc1cc(Br)co1)C(=O)O Amb33431191 [0,2,0,0,0,0|2,0,0]=4 2214 B12R1.104 CC(Cc1ccc(Br)o1)C(=O)O Amb25297998 [0,2,0,0,0,0|2,0,0]=4 2215 B12R1.104 CC(Cc1ccc(Cl)o1)C(=O)O Amb28142508 [0,2,0,0,0,0|2,0,0]=4 2216 B12R1.104 Cc1ccc(CC(=O)C(=O)O)o1 Amb1134823 [0,2,0,0,0,0|2,0,0]=4 2217 B12R1.104 Cc1ccc(CC(C)C(=O)O)o1 Amb17605842 [0,2,0,0,0,0|2,0,0]=4 2218 B12R1.104 Cc1ccc(CC(N)C(=O)O)o1 Amb6267158 [0,2,0,0,0,0|2,0,0]=4 2219 B12R1.104 Cc1ccc(CC(N)C(N)=O)o1 Amb33065551 [0,2,0,0,0,0|2,0,0]=4 2220 B12R1.104 Cc1ccc(CC(O)C(=O)O)o1 Amb32668561 [0,2,0,0,0,0|2,0,0]=4 2221 B12R1.104 Cc1ccc(C[C@@H](N)C(=O)O)o1 Amb18801199 [0,2,0,0,0,0|2,0,0]=4 2222 B12R1.104 Cc1ccc(C[C@H](N)C(=O)O)o1 Amb24380249 [0,2,0,0,0,0|2,0,0]=4 2223 B12R1.104 Cc1coc(CC(O)C(=O)O)c1 Amb33353263 [0,2,0,0,0,0|2,0,0]=4 2224 B12R1.104 NC(=O)C(N)Cc1ccc(Br)o1 Amb27198829 [0,2,0,0,0,0|2,0,0]=4 2225 B12R1.104 NC(Cc1cc(Br)co1)C(=O)O Amb26915240 [0,2,0,0,0,0|2,0,0]=4 2226 B12R1.104 NC(Cc1ccc(Br)o1)C(=O)O Amb6269286 [0,2,0,0,0,0|2,0,0]=4 2227 B12R1.104 NC(Cc1ccc(Cl)o1)C(=O)O Amb19000858 [0,2,0,0,0,0|2,0,0]=4 2228 B12R1.104 N[C@@H](Cc1cc(Br)co1)C(=O)O Amb27778491 [0,2,0,0,0,0|2,0,0]=4 2229 B12R1.104 N[C@@H](Cc1ccc(Br)o1)C(=O)O Amb24488678 [0,2,0,0,0,0|2,0,0]=4 2230 B12R1.104 N[C@@H](Cc1ccc(Cl)o1)C(=O)O Amb27596523 [0,2,0,0,0,0|2,0,0]=4 2231 B12R1.104 N[C@H](Cc1ccc(Br)o1)C(=O)O Amb25791878 [0,2,0,0,0,0|2,0,0]=4 2232 B12R1.104 O=C(O)C(=O)Cc1cc(Br)co1 Amb33431505 [0,2,0,0,0,0|2,0,0]=4 2233 B12R1.104 O=C(O)C(=O)Cc1ccc(Br)o1 Amb1131460 [0,2,0,0,0,0|2,0,0]=4 2234 B12R1.104 O=C(O)C(=O)Cc1ccc(Cl)o1 Amb33258273 [0,2,0,0,0,0|2,0,0]=4 2235 B12R1.104 O=C(O)C(O)Cc1cc(Br)co1 Amb33431513 [0,2,0,0,0,0|2,0,0]=4 2236 B12R1.104 O=C(O)C(O)Cc1ccc(Br)o1 Amb27768369 [0,2,0,0,0,0|2,0,0]=4 2237 B12R1.104 O=C(O)C(O)Cc1ccc(Cl)o1 Amb33258328 [0,2,0,0,0,0|2,0,0]=4 2238 B12R1.120 C=C(C)[C@@H](C)[C@@H](O)c1ccco1 Amb27835051 [0,2,0,0,0,0|2,0,0]=4 2239 B12R1.120 CC(=O)C(C)C(=O)c1ccco1 Amb18798521 [0,2,0,0,0,0|1,0,1]=4 2240 B12R1.120 CC(=O)C(C)[C@H](O)c1ccco1 Amb27175880 [0,2,0,0,0,0|1,0,0]=3 2241 B12R1.120 CC(=O)C(Cl)C(=O)c1ccco1 Amb26643001 [0,2,0,0,0,0|1,0,1]=4 2242 B12R1.120 CC(=O)N(C)C(C)c1ccco1 Amb28070311 [0,2,0,0,0,0|1,0,0]=3 2243 B12R1.120 CC(=O)[C@@H](C)[C@@H](O)c1cccs1 Amb27615338 [0,2,0,0,0,0|1,1,0]=4 2244 B12R1.120 CC(=O)[C@H](C)[C@@H](O)c1cccs1 Amb27443219 [0,2,0,0,0,0|1,1,0]=4 2245 B12R1.120 CC(=O)[C@H](O)[C@@H](O)c1ccco1 Amb27861476 [0,2,0,0,0,0|1,0,0]=3 2246 B12R1.120 CC(=O)\C(C)=C(\N)c1ccco1 Amb28457415 [0,2,0,0,0,0|1,0,1]=4 2247 B12R1.120 CC(C(=O)O)C(C)c1ccco1 Amb18199302 [0,2,0,0,0,0|2,0,0]=4 2248 B12R1.120 CC(C(=O)O)C(O)c1ccco1 Amb27667048 [0,2,0,0,0,0|2,0,0]=4 2249 B12R1.120 CC(c1ccco1)C(N)C(=O)O Amb35663086 [0,2,0,0,0,0|2,0,0]=4 2250 B12R1.120 CC(c1ccco1)N(C)C(N)=O Amb28349666 [0,2,0,0,0,0|2,0,0]=4 2251 B12R1.120 NC(C(=O)O)C(O)c1ccco1 Amb2699161 [0,2,0,0,0,0|2,0,0]=4 2252 B12R1.120 N[C@@H](c1ccco1)[C@@H](O)C(=O)O Amb27209254 [0,2,0,0,0,0|2,0,0]=4 2253 B12R1.120 N[C@H](C(=O)O)[C@@H](O)c1ccco1 Amb27862565 [0,2,0,0,0,0|2,0,0]=4 2254 B12R1.120 N[C@H](c1ccco1)[C@H](O)C(=O)O Amb27462481 [0,2,0,0,0,0|2,0,0]=4 2255 B12R1.145 CC(=O)C(C)Cc1sccc1Cl Amb28058694 [0,2,0,0,0,0|1,1,0]=4 2256 B12R1.145 CC(=O)N(C)Cc1sccc1Br Amb27458586 [0,2,0,0,0,0|1,1,0]=4 2257 B12R1.145 CC(=O)\C(C)=C\c1occc1Br Amb27478897 [0,2,0,0,0,0|1,0,1]=4 2258 B12R1.145 Cc1ccoc1CC(=O)C(=O)O Amb25854016 [0,2,0,0,0,0|2,0,0]=4 2259 B12R1.145 Cc1ccoc1CC(C)C(=O)O Amb25304965 [0,2,0,0,0,0|2,0,0]=4 2260 B12R1.145 Cc1ccoc1CC(N)C(=O)O Amb18826171 [0,2,0,0,0,0|2,0,0]=4 2261 B12R1.145 Cc1ccoc1CC(O)C(=O)O Amb33353274 [0,2,0,0,0,0|2,0,0]=4 2262 B12R1.145 NC(Cc1occc1Br)C(=O)O Amb28456942 [0,2,0,0,0,0|2,0,0]=4 2263 B12R1.145 O=C(O)C(F)Cc1occc1Br Amb27780216 [0,2,0,0,0,0|2,0,0]=4 2264 B12R1.145 O=C(O)C(O)Cc1occc1Br Amb33353341 [0,2,0,0,0,0|2,0,0]=4 2265 B12R1.266 CN(Cc1ccco1)S(C)(=N)=O Amb35680332 [0,2,0,0,0,0|2,0,0]=4 2266 B12R1.266 CN(Cc1ccco1)S(C)(=O)=O Amb27813066 [0,2,0,0,0,0|2,0,0]=4 2267 B12R1.298 CC(=O)\C(C#N)=C/c1ccco1 Amb27175882 [0,2,0,0,0,0|1,0,1]=4 2268 B12R1.298 CCC(Cc1ccco1)C(=O)O Amb5744031 [0,2,0,0,0,0|2,0,0]=4 2269 B12R1.298 COC(Cc1ccco1)C(=O)O Amb33360945 [0,2,0,0,0,0|2,0,0]=4 2270 B12R1.298 N#CC(Cc1ccco1)C(=O)O Amb17090105 [0,2,0,0,0,0|2,0,0]=4 2271 B12R1.298 NCC(Cc1ccco1)C(=O)O Amb5744246 [0,2,0,0,0,0|2,0,0]=4 2272 B12R1.298 NCC(Cc1ccco1)C(N)=O Amb9211714 [0,2,0,0,0,0|2,0,0]=4 2273 B12R1.298 O=C(O)\C(Cc1ccco1)=N/O Amb26552990 [0,2,0,0,0,0|2,0,0]=4 2274 B12R1.298 O=C(O)\C(Cc1ccco1)=N\O Amb27175304 [0,2,0,0,0,0|2,0,0]=4 2275 B12R1.1373 CC(C)(Cc1ccco1)C(=O)O Amb18303224 [0,2,0,0,0,0|2,0,0]=4 2276 B12R1.1373 CC(N)(Cc1ccco1)C(=O)O Amb17232695 [0,2,0,0,0,0|2,0,0]=4 2277 B12R1.1373 CC(O)(Cc1ccco1)C(=O)O Amb33360942 [0,2,0,0,0,0|2,0,0]=4 2278 B12R1.1373 O=C(O)C(F)(F)Cc1ccco1 Amb33170639 [0,2,0,0,0,0|2,0,0]=4 2279 B12R1.59 CC(=O)CCc1cc(C#N)cs1 Amb32876418 [0,2,0,0,0,0|1,1,0]=4 2280 B12R1.59 CC(=O)CCc1ccc(C#N)s1 Amb33147281 [0,2,0,0,0,0|1,1,0]=4 2281 B12R1.59 CC(=O)OCc1ccc(C#N)o1 Amb18646200 [0,2,0,0,0,0|0,0,0]=2 2282 B12R1.59 CC(=O)OCc1ccc(C#N)s1 Amb28205469 [0,2,0,0,0,0|0,1,0]=3 2283 B12R1.59 CC(=O)OCc1ccc(C=O)o1 Amb2781573 [0,2,0,0,0,0|0,0,0]=2 2284 B12R1.59 CCc1cc(CNC(C)=O)on1 Amb27598392 [0,2,0,0,0,0|2,0,0]=4 2285 B12R1.59 CCc1ccc(CCC(=O)O)o1 Amb18799027 [0,2,0,0,0,0|2,0,0]=4 2286 B12R1.59 CCc1cnc(CNC(C)=O)o1 Amb27247686 [0,2,0,0,0,0|2,0,0]=4 2287 B12R1.59 COc1cc(CCC(C)=O)on1 Amb32727242 [0,2,0,0,0,0|2,0,0]=4 2288 B12R1.59 COc1cc(CNC(C)=O)on1 Amb27227841 [0,2,0,0,0,0|2,0,0]=4 2289 B12R1.59 O=Cc1ccc(CCC(=O)O)o1 Amb33068095 [0,2,0,0,0,0|2,0,0]=4 2290 B12R1.103 C=C(C)C[C@H](N)c1ccc(Br)o1 Amb27881877 [0,2,0,0,0,0|2,0,0]=4 2291 B12R1.103 CC(=N)NC(C)c1ccc(C)o1 Amb28054014 [0,2,0,0,0,0|2,0,0]=4 2292 B12R1.103 CC(=O)CC(=O)c1ccc(Br)o1 Amb25058736 [0,2,0,0,0,0|1,0,1]=4 2293 B12R1.103 CC(=O)CC(=O)c1ccc(C)o1 Amb9204924 [0,2,0,0,0,0|1,0,1]=4 2294 B12R1.103 CC(=O)NC(C)c1ccc(C)o1 Amb28350567 [0,2,0,0,0,0|1,0,0]=3 2295 B12R1.103 CC(=O)NC(C)c1ncc(C)o1 Amb27770745 [0,2,0,0,0,0|2,0,0]=4 2296 B12R1.103 CC(=O)N[C@@H](C)c1ccc(Br)s1 Amb28122195 [0,2,0,0,0,0|1,1,0]=4 2297 B12R1.103 CC(=O)OC(C)c1ccc(Cl)s1 Amb27661664 [0,2,0,0,0,0|0,1,0]=3 2298 B12R1.103 CC(=O)OC(C)c1nc(C)no1 Amb28078877 [0,2,0,0,0,0|2,0,0]=4 2299 B12R1.103 CC(=O)OC(C)c1ncc(C)o1 Amb27652496 [0,2,0,0,0,0|1,0,0]=3 2300 B12R1.103 CC(=O)OC(C)c1nnc(C)o1 Amb25848832 [0,2,0,0,0,0|2,0,0]=4 2301 B12R1.103 CC(=O)OC(Cl)C1=CC(=O)OC1 Amb27650635 [0,2,0,0,0,0|2,0,0]=4 2302 B12R1.103 CC(C)=CC(N)c1ccc(Cl)o1 Amb27808314 [0,2,0,0,0,0|2,0,0]=4 2303 B12R1.103 CC(CC(=O)O)c1cc(Br)co1 Amb33431527 [0,2,0,0,0,0|2,0,0]=4 2304 B12R1.103 CC(CC(=O)O)c1ccc(Br)o1 Amb25200837 [0,2,0,0,0,0|2,0,0]=4 2305 B12R1.103 CC(CC(=O)O)c1ccc(Cl)o1 Amb33259297 [0,2,0,0,0,0|2,0,0]=4 2306 B12R1.103 Cc1ccc(C(C)CC(=O)O)o1 Amb6749206 [0,2,0,0,0,0|2,0,0]=4 2307 B12R1.103 Cc1ccc(C(C)NC(=O)Cl)o1 Amb35625507 [0,2,0,0,0,0|2,0,0]=4 2308 B12R1.103 Cc1ccc(C(C)NC(N)=O)o1 Amb18805803 [0,2,0,0,0,0|2,0,0]=4 2309 B12R1.103 Cc1ccc(C(N)CC(=O)O)o1 Amb2441394 [0,2,0,0,0,0|2,0,0]=4 2310 B12R1.103 Cc1ccc(C(N)CC(=O)O)o1 Amb32666384 [0,2,0,0,0,0|2,0,0]=4 2311 B12R1.103 Cc1ccc(C(N)CC(N)=O)o1 Amb7800593 [0,2,0,0,0,0|2,0,0]=4 2312 B12R1.103 Cc1ccc(C(O)CC(=O)O)o1 Amb26961921 [0,2,0,0,0,0|2,0,0]=4 2313 B12R1.103 Cc1ccc([C@@H](N)CC(=O)O)o1 Amb18793276 [0,2,0,0,0,0|2,0,0]=4 2314 B12R1.103 Cc1ccc([C@@H](N)CC(=O)O)o1 Amb19514934 [0,2,0,0,0,0|2,0,0]=4 2315 B12R1.103 Cc1ccc([C@@H](N)CC(N)=O)o1 Amb18793033 [0,2,0,0,0,0|2,0,0]=4 2316 B12R1.103 Cc1ccc([C@@H](O)CC(=O)O)o1 Amb33318204 [0,2,0,0,0,0|2,0,0]=4 2317 B12R1.103 Cc1ccc([C@H](N)CC(=O)O)o1 Amb25059364 [0,2,0,0,0,0|2,0,0]=4 2318 B12R1.103 Cc1ccc([C@H](N)CC(N)=O)o1 Amb25858645 [0,2,0,0,0,0|2,0,0]=4 2319 B12R1.103 Cc1ccc([C@H](O)CC(=O)O)o1 Amb33318202 [0,2,0,0,0,0|2,0,0]=4 2320 B12R1.103 Cc1coc(C(N)CC(=O)O)c1 Amb25105856 [0,2,0,0,0,0|2,0,0]=4 2321 B12R1.103 Cc1coc(C(N)CC(N)=O)c1 Amb33308166 [0,2,0,0,0,0|2,0,0]=4 2322 B12R1.103 Cc1coc([C@@H](N)CC(=O)O)c1 Amb26862631 [0,2,0,0,0,0|2,0,0]=4 2323 B12R1.103 Cc1coc([C@@H](N)CC(N)=O)c1 Amb33254439 [0,2,0,0,0,0|2,0,0]=4 2324 B12R1.103 Cc1coc([C@H](N)CC(=O)O)c1 Amb28044903 [0,2,0,0,0,0|2,0,0]=4 2325 B12R1.103 Cc1coc([C@H](N)CC(N)=O)c1 Amb33255302 [0,2,0,0,0,0|2,0,0]=4 2326 B12R1.103 NC(=O)CC(N)c1ccc(Br)o1 Amb7800642 [0,2,0,0,0,0|2,0,0]=4 2327 B12R1.103 NC(=O)CC(N)c1ccc(Cl)o1 Amb25149915 [0,2,0,0,0,0|2,0,0]=4 2328 B12R1.103 NC(=O)CC(N)c1ccc(I)o1 Amb27876625 [0,2,0,0,0,0|2,0,0]=4 2329 B12R1.103 NC(=O)C[C@@H](N)c1ccc(Br)o1 Amb26080491 [0,2,0,0,0,0|2,0,0]=4 2330 B12R1.103 NC(=O)C[C@H](N)c1ccc(Br)o1 Amb25863271 [0,2,0,0,0,0|2,0,0]=4 2331 B12R1.103 NC(CC(=O)O)c1cc(Br)co1 Amb28119395 [0,2,0,0,0,0|2,0,0]=4 2332 B12R1.103 NC(CC(=O)O)c1cc(Cl)co1 Amb23537477 [0,2,0,0,0,0|2,0,0]=4 2333 B12R1.103 NC(CC(=O)O)c1ccc(Br)o1 Amb9722403 [0,2,0,0,0,0|2,0,0]=4 2334 B12R1.103 NC(CC(=O)O)c1ccc(Cl)o1 Amb2697642 [0,2,0,0,0,0|2,0,0]=4 2335 B12R1.103 NC(CC(=O)O)c1ccc(O)o1 Amb27757283 [0,2,0,0,0,0|2,0,0]=4 2336 B12R1.103 N[C@@H](CC(=O)O)c1cc(Br)co1 Amb27859068 [0,2,0,0,0,0|2,0,0]=4 2337 B12R1.103 N[C@@H](CC(=O)O)c1ccc(Br)o1 Amb24627512 [0,2,0,0,0,0|2,0,0]=4 2338 B12R1.103 N[C@@H](CC(=O)O)c1ccc(F)o1 Amb28400681 [0,2,0,0,0,0|2,0,0]=4 2339 B12R1.103 N[C@H](CC(=O)O)c1ccc(Br)o1 Amb25136933 [0,2,0,0,0,0|2,0,0]=4 2340 B12R1.103 N[C@H](CC(=O)O)c1ccc(F)o1 Amb27241124 [0,2,0,0,0,0|2,0,0]=4 2341 B12R1.103 Nc1ccc([C@@H](N)CC(=O)O)o1 Amb27241194 [0,2,0,0,0,0|2,0,0]=4 2342 B12R1.103 Nc1coc([C@@H](N)CC(=O)O)c1 Amb28127033 [0,2,0,0,0,0|2,0,0]=4 2343 B12R1.103 O=C(O)CC(O)c1cc(Br)co1 Amb24575760 [0,2,0,0,0,0|2,0,0]=4 2344 B12R1.103 O=C(O)CC(O)c1ccc(Br)o1 Amb33452006 [0,2,0,0,0,0|2,0,0]=4 2345 B12R1.103 O=C(O)CC(O)c1ccc(Cl)o1 Amb33259300 [0,2,0,0,0,0|2,0,0]=4 2346 B12R1.103 O=C(O)C[C@@H](O)c1cc(Br)co1 Amb33431593 [0,2,0,0,0,0|2,0,0]=4 2347 B12R1.103 O=C(O)C[C@@H](O)c1ccc(Br)o1 Amb33452011 [0,2,0,0,0,0|2,0,0]=4 2348 B12R1.103 O=C(O)C[C@@H](O)c1ccc(Cl)o1 Amb33258837 [0,2,0,0,0,0|2,0,0]=4 2349 B12R1.103 O=C(O)C[C@H](O)c1cc(Br)co1 Amb33431591 [0,2,0,0,0,0|2,0,0]=4 2350 B12R1.103 O=C(O)C[C@H](O)c1ccc(Br)o1 Amb33452009 [0,2,0,0,0,0|2,0,0]=4 2351 B12R1.103 O=C(O)C[C@H](O)c1ccc(Cl)o1 Amb33258836 [0,2,0,0,0,0|2,0,0]=4 2352 B12R1.110 CC(=O)CCc1cc(Br)c(C)s1 Amb33433653 [0,2,0,0,0,0|1,1,0]=4 2353 B12R1.110 CC(=O)CCc1cc(Br)c(Cl)s1 Amb33435070 [0,2,0,0,0,0|1,1,0]=4 2354 B12R1.110 CC(=O)CCc1nc(C)c(C)o1 Amb18827177 [0,2,0,0,0,0|2,0,0]=4 2355 B12R1.110 CC(=O)NCc1nc(C)c(C)o1 Amb27248840 [0,2,0,0,0,0|2,0,0]=4 2356 B12R1.110 CC(=O)OCc1cc(C)c(C)o1 Amb25036189 [0,2,0,0,0,0|0,0,0]=2 2357 B12R1.110 CC(=O)OCc1nc(C)c(C)o1 Amb28122009 [0,2,0,0,0,0|1,0,0]=3 2358 B12R1.110 O=C(O)CCc1cc(Br)c(Br)o1 Amb27866773 [0,2,0,0,0,0|2,0,0]=4 2359 B12R1.110 O=C(O)CCc1cc(Br)c(Cl)o1 Amb23539106 [0,2,0,0,0,0|2,0,0]=4 2360 B12R1.836 CS(=N)(=O)NCc1ccc(Br)o1 Amb35695677 [0,2,0,0,0,0|2,0,0]=4 2361 B12R1.836 CS(=N)(=O)NCc1ccc(Cl)o1 Amb30020711 [0,2,0,0,0,0|2,0,0]=4 2362 B12R1.836 Cc1ccc(CNS(C)(=N)=O)o1 Amb35710976 [0,2,0,0,0,0|2,0,0]=4 2363 B12R1.836 Cc1ccc(COS(N)(=O)=O)o1 Amb33054675 [0,2,0,0,0,0|2,0,0]=4 2364 B12R1.836 NS(=O)(=O)OCc1cc(Br)co1 Amb33056535 [0,2,0,0,0,0|2,0,0]=4 2365 B12R1.836 NS(=O)(=O)OCc1ccc(Br)o1 Amb33054374 [0,2,0,0,0,0|2,0,0]=4 2366 B12R1.836 NS(=O)(=O)OCc1ccc(Cl)o1 Amb33054241 [0,2,0,0,0,0|2,0,0]=4 2367 B12R1.861 CC(=O)CCc1oc(Br)cc1C Amb33387187 [0,2,0,0,0,0|1,0,0]=3 2368 B12R1.861 CC(=O)CCc1sc(C)cc1Br Amb33263375 [0,2,0,0,0,0|1,1,0]=4 2369 B12R1.861 CC(=O)OCC1CC(=O)C=C1C Amb28351575 [0,2,0,0,0,0|1,0,1]=4 2370 B12R1.861 CC(=O)OCc1cc(C)nn1C Amb27761473 [0,2,0,0,0,0|2,0,0]=4 2371 B12R1.861 CC(=O)OCc1cc(C)oc1C Amb27661947 [0,2,0,0,0,0|2,0,0]=4 2372 B12R1.861 CC(=O)OCc1cc(C)sc1C Amb27485404 [0,2,0,0,0,0|2,0,0]=4 2373 B12R1.861 CC(=O)\C=C\c1oc(Br)cc1C Amb33387184 [0,2,0,0,0,0|1,0,1]=4 2374 B12R1.861 Cc1cc(Br)oc1CCC(=O)O Amb33451867 [0,2,0,0,0,0|2,0,0]=4 2375 B12R1.861 Cc1nc(C)c(COC(=O)Cl)o1 Amb33297398 [0,2,0,0,0,0|2,0,0]=4 2376 B12R1.870 CC(=O)CCc1scc(C)c1Br Amb33434301 [0,2,0,0,0,0|1,1,0]=4 2377 B12R1.870 CC(=O)OCc1occ(C)c1C Amb25244720 [0,2,0,0,0,0|0,0,0]=2 2378 B12R1.870 CC(=O)OCc1onc(C)c1Br Amb24066363 [0,2,0,0,0,0|1,0,0]=3 2379 B12R1.3799 CC(=O)NCC1(O)C=CC(=O)O1 Amb27413894 [0,2,0,0,0,0|1,0,1]=4 2380 B12R1.144 C=C(C)CC(N)c1occc1Br Amb35661720 [0,2,0,0,0,0|2,0,0]=4 2381 B12R1.144 C=C(C)CC(O)c1occc1Br Amb35675801 [0,2,0,0,0,0|2,0,0]=4 2382 B12R1.144 C=C(C)CC(O)c1occc1C Amb28387617 [0,2,0,0,0,0|2,0,0]=4 2383 B12R1.144 CC(=O)CC(C)c1sccc1Br Amb27486965 [0,2,0,0,0,0|1,1,0]=4 2384 B12R1.144 CC(=O)CC(C)c1sccc1Cl Amb28256086 [0,2,0,0,0,0|1,1,0]=4 2385 B12R1.144 CC(=O)NC(=O)c1occc1Br Amb30009726 [0,2,0,0,0,0|1,0,1]=4 2386 B12R1.144 CC(=O)OC(C)c1sccc1C Amb27414296 [0,2,0,0,0,0|0,1,0]=3 2387 B12R1.144 CC(C)=CC(N)c1occc1Br Amb35661719 [0,2,0,0,0,0|2,0,0]=4 2388 B12R1.144 CC(CC(=O)O)c1occc1Br Amb27637941 [0,2,0,0,0,0|2,0,0]=4 2389 B12R1.144 Cc1ccoc1C(C)CC(=O)O Amb33344752 [0,2,0,0,0,0|2,0,0]=4 2390 B12R1.144 Cc1ccoc1C(N)CC(=O)O Amb24687843 [0,2,0,0,0,0|2,0,0]=4 2391 B12R1.144 Cc1ccoc1C(N)CC(N)=O Amb27451465 [0,2,0,0,0,0|2,0,0]=4 2392 B12R1.144 Cc1ccoc1C(O)CC(=O)O Amb25160399 [0,2,0,0,0,0|2,0,0]=4 2393 B12R1.144 Cc1ccoc1[C@@H](N)CC(=O)O Amb26639052 [0,2,0,0,0,0|2,0,0]=4 2394 B12R1.144 Cc1ccoc1[C@@H](N)CC(N)=O Amb27465984 [0,2,0,0,0,0|2,0,0]=4 2395 B12R1.144 Cc1ccoc1[C@@H](O)CC(=O)O Amb33343824 [0,2,0,0,0,0|2,0,0]=4 2396 B12R1.144 Cc1ccoc1[C@H](N)CC(=O)O Amb24437413 [0,2,0,0,0,0|2,0,0]=4 2397 B12R1.144 Cc1ccoc1[C@H](N)CC(N)=O Amb26049548 [0,2,0,0,0,0|2,0,0]=4 2398 B12R1.144 Cc1ccoc1[C@H](O)CC(=O)O Amb33343823 [0,2,0,0,0,0|2,0,0]=4 2399 B12R1.144 NC(=O)CC(N)c1occc1Br Amb25283469 [0,2,0,0,0,0|2,0,0]=4 2400 B12R1.144 NC(=O)C[C@@H](N)c1occc1Br Amb28125212 [0,2,0,0,0,0|2,0,0]=4 2401 B12R1.144 NC(=O)C[C@H](N)c1occc1Br Amb24524854 [0,2,0,0,0,0|2,0,0]=4 2402 B12R1.144 NC(CC(=O)O)c1occc1Br Amb24497684 [0,2,0,0,0,0|2,0,0]=4 2403 B12R1.144 NC(CC(=O)O)c1occc1Cl Amb27416758 [0,2,0,0,0,0|2,0,0]=4 2404 B12R1.144 N[C@@H](CC(=O)O)c1occc1Br Amb25279920 [0,2,0,0,0,0|2,0,0]=4 2405 B12R1.144 N[C@@H](CC(=O)O)c1occc1F Amb28429762 [0,2,0,0,0,0|2,0,0]=4 2406 B12R1.144 N[C@@H](CC(=O)O)c1occc1O Amb27465182 [0,2,0,0,0,0|2,0,0]=4 2407 B12R1.144 N[C@H](CC(=O)O)c1occc1Br Amb27169939 [0,2,0,0,0,0|2,0,0]=4 2408 B12R1.144 Nc1ccoc1[C@H](N)CC(=O)O Amb28139904 [0,2,0,0,0,0|2,0,0]=4 2409 B12R1.259 CC(=O)CC(C)(C)c1ccco1 Amb27600531 [0,2,0,0,0,0|1,0,0]=3 2410 B12R1.259 CC(=O)CC(C)(C)c1cccs1 Amb5740086 [0,2,0,0,0,0|1,1,0]=4 2411 B12R1.259 CC(C)(CC(=O)O)c1ccco1 Amb26648003 [0,2,0,0,0,0|2,0,0]=4 2412 B12R1.259 CC(C)(OC(=O)Cl)c1cccs1 Amb33297236 [0,2,0,0,0,0|1,1,0]=4 2413 B12R1.259 CC(N)(CC(=O)O)c1ccco1 Amb27630040 [0,2,0,0,0,0|2,0,0]=4 2414 B12R1.259 CC(O)(CC(=O)O)c1ccco1 Amb18825805 [0,2,0,0,0,0|2,0,0]=4 2415 B12R1.259 O=C(O)CC(F)(F)c1ccco1 Amb33337495 [0,2,0,0,0,0|2,0,0]=4 2416 B12R1.265 CC(NS(C)(=N)=O)c1ccco1 Amb30019443 [0,2,0,0,0,0|2,0,0]=4 2417 B12R1.265 CS(=O)(=O)CC(N)c1ccco1 Amb18114795 [0,2,0,0,0,0|2,0,0]=4 2418 B12R1.265 CS(=O)(=O)C[C@@H](N)c1ccco1 Amb27464760 [0,2,0,0,0,0|2,0,0]=4 2419 B12R1.265 C[C@@H](NS(C)(=N)=O)c1ccco1 Amb30019566 [0,2,0,0,0,0|2,0,0]=4 2420 B12R1.265 C[C@H](NS(C)(=N)=O)c1ccco1 Amb30019565 [0,2,0,0,0,0|2,0,0]=4 2421 B12R1.476 CC(=O)CC(C#N)c1ccco1 Amb25795308 [0,2,0,0,0,0|1,0,0]=3 2422 B12R1.476 CC(=O)CC(C#N)c1cccs1 Amb25800982 [0,2,0,0,0,0|1,1,0]=4 2423 B12R1.476 CC(=O)NC(C#N)c1ccco1 Amb17334597 [0,2,0,0,0,0|1,0,0]=3 2424 B12R1.476 CC(=O)NC(C#N)c1cccs1 Amb17335420 [0,2,0,0,0,0|1,1,0]=4 2425 B12R1.476 CC(=O)OC(C#N)c1ccco1 Amb4017669 [0,2,0,0,0,0|0,0,0]=2 2426 B12R1.476 CC(=O)OC(C#N)c1cccs1 Amb28059226 [0,2,0,0,0,0|0,1,0]=3 2427 B12R1.476 CCC(CC(C)=O)c1ccco1 Amb5494067 [0,2,0,0,0,0|1,0,0]=3 2428 B12R1.476 CCC(NC(C)=O)c1cccs1 Amb1805885 [0,2,0,0,0,0|1,1,0]=4 2429 B12R1.476 C\C=C(\NC(C)=O)c1ccco1 Amb27602204 [0,2,0,0,0,0|1,0,1]=4 2430 B12R1.476 N#CC(CC(=O)O)c1ccco1 Amb17400172 [0,2,0,0,0,0|2,0,0]=4 2431 B12R1.476 NCC(CC(=O)O)c1ccco1 Amb17400304 [0,2,0,0,0,0|2,0,0]=4 2432 B12R1.81 CCc1ccsc1CCC(C)=O Amb32729036 [0,2,0,0,0,0|1,1,0]=4 2433 B12R1.129 Cc1ccoc1CNS(C)(=N)=O Amb29851476 [0,2,0,0,0,0|2,0,0]=4 2434 B12R1.129 Cc1ccoc1CNS(C)(=O)=O Amb27194920 [0,2,0,0,0,0|2,0,0]=4 2435 B12R1.129 Cc1ccoc1COS(N)(=O)=O Amb33263482 [0,2,0,0,0,0|2,0,0]=4 2436 B10R1.18 CC(=O)Oc1cccnc1 Amb6297781 [0,0,1,1,0,0|1,0,1]=4 2437 B10R1.39 CC(=O)C1=CC=C\C1=C/O Amb17593449 [0,0,1,1,0,0|1,0,1]=4 2438 B10R1.61 CC(=O)c1ccccc1O Amb2792764 [0,0,1,1,0,0|1,0,1]=4 2439 B10R1.61 CC(=O)c1ncccc1O Amb16233269 [0,0,1,1,0,0|2,0,0]=4 2440 B10R1.30 C=CC1=C(C)CCC(=O)C1 Amb28202356 [0,0,1,1,0,0|2,0,0]=4 2441 B10R1.59 C=C1CC(C(C)=O)=C(C)O1 Amb27762556 [0,0,1,1,0,0|1,0,1]=4 2442 B10R1.113 CC(=O)c1cccc(O)c1 Amb2792768 [0,0,1,1,0,0|1,0,1]=4 2443 B10R2.5 CC1CC1c2ccco2 Amb446873 [1,0,0,1,0,0|1,0,1]=4 2444 B10R2.5 CC1OC1c2ccco2 Amb27837474 [1,0,0,1,0,0|0,0,1]=3 2445 B10R2.5 CC1OC1c2cccs2 Amb27171681 [1,0,0,1,0,0|0,1,1]=4 2446 B10R2.7 c1cc2c(o1)CCCC2 Amb25146994 [1,0,0,1,0,0|1,0,1]=4 2447 B10R2.7 c1cc2c(o1)CCNC2 Amb6252739 [1,0,0,1,0,0|2,0,0]=4 2448 B10R2.7 c1cc2c(o1)CNCC2 Amb6252729 [1,0,0,1,0,0|1,0,1]=4 2449 B10R2.32 O=C1CCc2occc21 Amb6740010 [1,0,0,1,0,0|1,0,0]=3 2450 B10R2.32 O=C1CCc2oncc21 Amb27966150 [1,0,0,1,0,0|2,0,0]=4 2451 B10R2.32 O=C1CCc2sccc21 Amb2232897 [1,0,0,1,0,0|1,1,0]=4 2452 B10R2.32 O=C1CNc2occc21 Amb18832976 [1,0,0,1,0,0|2,0,0]=4 2453 B10R2.32 O=C1NCc2occc21 Amb28367896 [1,0,0,1,0,0|1,0,0]=3 2454 B10R2.32 O=C1NCc2oncc21 Amb18203329 [1,0,0,1,0,0|2,0,0]=4 2455 B10R2.136 c1coc(C2CCN2)c1 Amb7808808 [1,0,0,1,0,0|1,0,1]=4 2456 B10R2.136 c1coc(C2CCS2)c1 Amb28370026 [1,0,0,1,0,0|0,1,1]=4 2457 B10R2.136 c1coc(C2CNC2)c1 Amb25796595 [1,0,0,1,0,0|2,0,0]=4 2458 B10R2.136 c1coc([C@@H]2CCN2)c1 Amb27953588 [1,0,0,1,0,0|1,0,1]=4 2459 B10R2.136 c1coc([C@H]2CCN2)c1 Amb28125975 [1,0,0,1,0,0|1,0,1]=4 2460 B10R2.193 c1coc(CC2CO2)c1 Amb27838490 [1,0,0,1,0,0|2,0,0]=4 2461 B10R2.2 O=C1Cc2ccnn2C1 Amb33714898 [0,0,0,1,1,0|2,0,0]=4 2462 B10R2.2 O=C1Cc2ccoc2C1 Amb18203345 [0,0,0,1,1,0|0,0,0]=2 2463 B10R2.2 O=C1Cc2ccsc2C1 Amb18203007 [0,0,0,1,1,0|0,1,0]=3 2464 B10R2.2 O=C1Cc2sccc2S1 Amb27842152 [0,0,0,1,1,0|1,1,0]=4 2465 B10R2.71 O=C1CC2C=CC(C1)O2 Amb17593269 [0,0,0,1,1,0|0,0,2]=4 2466 B12R2.22 O=C1CC(c2ccccc2)C1 Amb6739873 [0,0,0,1,0,1|2,0,0]=4 2467 B12R2.22 O=C1CC(c2ccccc2)N1 Amb1993905 [0,0,0,1,0,1|2,0,0]=4 2468 B12R2.22 O=C1CC(c2ccccn2)C1 Amb25891417 [0,0,0,1,0,1|2,0,0]=4 2469 B12R2.22 O=C1CC(c2cccnc2)C1 Amb25151161 [0,0,0,1,0,1|2,0,0]=4 2470 B12R2.22 O=C1CC(c2ccncc2)C1 Amb24407200 [0,0,0,1,0,1|2,0,0]=4 2471 B12R2.22 O=C1CC(c2ccncc2)N1 Amb27262270 [0,0,0,1,0,1|2,0,0]=4 2472 B12R2.22 O=C1CC(c2cnccn2)N1 Amb35601072 [0,0,0,1,0,1|2,0,0]=4 2473 B12R2.24 CC1=Nc2ccccc2CO1 Amb27391671 [0,0,0,1,0,1|2,0,0]=4 2474 B12R2.24 O=C1CCc2ccccc2C1 Amb2383557 [0,0,0,1,0,1|2,0,0]=4 2475 B12R2.24 O=C1CCc2ncccc2C1 Amb7969886 [0,0,0,1,0,1|2,0,0]=4 2476 B12R2.24 O=C1CCc2ncncc2C1 Amb22494044 [0,0,0,1,0,1|2,0,0]=4 2477 B12R2.24 O=C1C[n+]2ccccc2CO1 Amb2613487 [0,0,0,1,0,1|1,0,0]=3 2478 B12R2.24 O=C1Cc2ccccc2CN1 Amb33544470 [0,0,0,1,0,1|2,0,0]=4 2479 B12R2.24 O=C1Cc2ccccc2CO1 Amb17750259 [0,0,0,1,0,1|1,0,0]=3 2480 B12R2.24 O=C1Cc2cccnc2CN1 Amb24513882 [0,0,0,1,0,1|2,0,0]=4 2481 B12R2.24 O=C1Cc2ccncc2CN1 Amb25760054 [0,0,0,1,0,1|2,0,0]=4 2482 B12R2.24 O=C1Cc2cnccc2CN1 Amb26484645 [0,0,0,1,0,1|2,0,0]=4 2483 B12R2.24 O=C1Cc2ncccc2CN1 Amb27145917 [0,0,0,1,0,1|2,0,0]=4 2484 B12R2.24 O=C1Cc2nccnc2CN1 Amb24414115 [0,0,0,1,0,1|2,0,0]=4 2485 B12R2.24 O=C1Nc2ccccc2CO1 Amb19516356 [0,0,0,1,0,1|2,0,0]=4 2486 B12R2.24 O=C1Nc2cccnc2CO1 Amb32692993 [0,0,0,1,0,1|2,0,0]=4 2487 B12R2.24 O=C1Nc2ccncc2CO1 Amb33625067 [0,0,0,1,0,1|2,0,0]=4 2488 B12R2.24 O=C1Nc2cnccc2CO1 Amb28118259 [0,0,0,1,0,1|2,0,0]=4 2489 B12R2.24 O=C1Nc2ncccc2CO1 Amb24634652 [0,0,0,1,0,1|2,0,0]=4 2490 B12R2.24 O=S1Cc2ccccc2CO1 Amb27495622 [0,0,0,1,0,1|2,0,0]=4 2491 B12R2.3190 CC(=O)C1Cc2ccccc21 Amb28066759 [0,0,0,1,0,1|2,0,0]=4 2492 B12R2.3190 CC(=O)N1Cc2ccccc21 Amb25148191 [0,0,0,1,0,1|2,0,0]=4 2493 B12R2.6 C=C1COC(c2ccco2)C1 Amb27644715 [0,0,0,1,0,1|1,0,0]=3 2494 B12R2.6 C=C1COC(c2ccco2)O1 Amb25189105 [0,0,0,1,0,1|0,0,2]=4 2495 B12R2.6 CC1=NNC(c2ccco2)C1 Amb17112173 [0,0,0,1,0,1|2,0,0]=4 2496 B12R2.6 Cc1cc(-c2ccco2)on1 Amb24562837 [0,0,0,1,0,1|1,0,1]=4 2497 B12R2.6 Cc1noc(-c2ccco2)n1 Amb21936791 [0,0,0,1,0,1|1,0,1]=4 2498 B12R2.6 NC1COC(c2ccco2)C1 Amb35593788 [0,0,0,1,0,1|1,0,1]=4 2499 B12R2.6 O=C1C=C(c2ccco2)CC1 Amb17138420 [0,0,0,1,0,1|1,0,1]=4 2500 B12R2.6 O=C1C=C(c2ccco2)CO1 Amb27879956 [0,0,0,1,0,1|0,0,1]=3 2501 B12R2.6 O=C1CC(c2ccco2)=NN1 Amb24053123 [0,0,0,1,0,1|1,0,1]=4 2502 B12R2.6 O=C1CC(c2ccco2)CN1 Amb17399916 [0,0,0,1,0,1|1,0,0]=3 2503 B12R2.6 O=C1CC(c2ccco2)NN1 Amb35701076 [0,0,0,1,0,1|1,0,0]=3 2504 B12R2.6 O=C1CC(c2cccs2)CN1 Amb13783611 [0,0,0,1,0,1|1,1,0]=4 2505 B12R2.6 O=C1CC(c2cccs2)NN1 Amb29862362 [0,0,0,1,0,1|1,1,0]=4 2506 B12R2.6 O=C1CC(c2cnco2)CN1 Amb33319910 [0,0,0,1,0,1|2,0,0]=4 2507 B12R2.6 O=C1CCC(c2ccco2)C1 Amb17138428 [0,0,0,1,0,1|1,0,0]=3 2508 B12R2.6 O=C1CCC(c2ccco2)N1 Amb27823409 [0,0,0,1,0,1|2,0,0]=4 2509 B12R2.6 O=C1CCC(c2cccs2)C1 Amb17138616 [0,0,0,1,0,1|1,1,0]=4 2510 B12R2.6 O=C1CC[C@@H](c2cccs2)C1 Amb27861302 [0,0,0,1,0,1|1,1,0]=4 2511 B12R2.6 O=C1COC(c2ccco2)C1 Amb27954043 [0,0,0,1,0,1|0,0,0]=2 2512 B12R2.6 O=C1COC(c2cccs2)C1 Amb35718936 [0,0,0,1,0,1|0,1,0]=3 2513 B12R2.6 O=C1COC(c2ccns2)C1 Amb35734437 [0,0,0,1,0,1|1,1,0]=4 2514 B12R2.6 O=C1COC(c2ccoc2)C1 Amb35726636 [0,0,0,1,0,1|2,0,0]=4 2515 B12R2.6 O=C1COC(c2ccsc2)C1 Amb35722216 [0,0,0,1,0,1|2,0,0]=4 2516 B12R2.6 O=C1COC(c2cncs2)C1 Amb35734191 [0,0,0,1,0,1|1,1,0]=4 2517 B12R2.6 O=C1COC(c2cscn2)C1 Amb35734195 [0,0,0,1,0,1|2,0,0]=4 2518 B12R2.6 O=C1COC(c2nccs2)C1 Amb35726683 [0,0,0,1,0,1|1,1,0]=4 2519 B12R2.6 O=C1CSC(c2ccco2)N1 Amb8484554 [0,0,0,1,0,1|1,1,0]=4 2520 B12R2.6 O=C1CSC(c2cccs2)C1 Amb2724559 [0,0,0,1,0,1|0,2,0]=4 2521 B12R2.6 O=C1NC(c2ccco2)CO1 Amb27268505 [0,0,0,1,0,1|1,0,0]=3 2522 B12R2.6 O=C1NC(c2cccs2)CO1 Amb26368877 [0,0,0,1,0,1|1,1,0]=4 2523 B12R2.6 O=C1NC(c2cnco2)CO1 Amb33319569 [0,0,0,1,0,1|2,0,0]=4 2524 B12R2.6 O=C1NCC(c2ccco2)N1 Amb24684091 [0,0,0,1,0,1|2,0,0]=4 2525 B12R2.6 O=C1NCC(c2ccco2)O1 Amb17232113 [0,0,0,1,0,1|2,0,0]=4 2526 B12R2.6 O=C1N[C@@H](c2ccco2)CO1 Amb25738019 [0,0,0,1,0,1|1,0,0]=3 2527 B12R2.6 O=C1N[C@@H](c2cccs2)CO1 Amb28317891 [0,0,0,1,0,1|1,1,0]=4 2528 B12R2.6 O=C1N[C@H](c2cccs2)CO1 Amb27440711 [0,0,0,1,0,1|1,1,0]=4 2529 B12R2.6 OC1COC(c2ccco2)C1 Amb35629989 [0,0,0,1,0,1|0,0,2]=4 2530 B12R2.114 O=C1CCCc2occc2C1 Amb33035815 [0,0,0,1,0,1|1,0,0]=3 2531 B12R2.114 O=C1CCCc2sccc2C1 Amb24553612 [0,0,0,1,0,1|1,1,0]=4 2532 B12R2.114 O=C1Cc2ccoc2CCN1 Amb27816404 [0,0,0,1,0,1|1,0,0]=3 2533 B12R2.136 O=C1CC(Cc2cccs2)N1 Amb27752060 [0,0,0,1,0,1|1,1,0]=4 2534 B12R2.1354 CC(=O)C1CC1c2ccco2 Amb9212607 [0,0,0,1,0,1|1,0,0]=3 2535 B12R2.1354 CC(=O)C1CC1c2cccs2 Amb4084923 [0,0,0,1,0,1|1,1,0]=4 2536 B12R2.1354 CC(=O)[C@@H]1C[C@@H]1c2ccco2 Amb27854640 [0,0,0,1,0,1|1,0,0]=3 2537 B12R2.1354 CC(=O)[C@@H]1C[C@@H]1c2cccs2 Amb34916214 [0,0,0,1,0,1|1,1,0]=4 2538 B12R2.1354 CC(=O)[C@@H]1C[C@H]1c2ccco2 Amb24741210 [0,0,0,1,0,1|1,0,0]=3 2539 B12R2.1354 CC(=O)[C@@H]1C[C@H]1c2cccs2 Amb27259667 [0,0,0,1,0,1|1,1,0]=4 2540 B12R2.1354 CC(=O)[C@H]1C[C@@H]1c2cccs2 Amb25286323 [0,0,0,1,0,1|1,1,0]=4 2541 B12R2.1354 NC(=O)C1CC1c2ccco2 Amb28063384 [0,0,0,1,0,1|2,0,0]=4 2542 B12R2.1354 NC(=O)N1OC1c2ccco2 Amb27477411 [0,0,0,1,0,1|1,0,0]=3 2543 B12R2.1354 O=C(O)C1CC1c2ccco2 Amb9765540 [0,0,0,1,0,1|2,0,0]=4 2544 B12R2.1354 O=C(O)[C@@H]1C[C@H]1c2ccco2 Amb26945410 [0,0,0,1,0,1|2,0,0]=4 2545 B12R2.1354 O=C(O)[C@H]1C[C@@H]1c2ccco2 Amb27780939 [0,0,0,1,0,1|2,0,0]=4 2546 B12R2.1362 O=C(O)c1onc2occc12 Amb18201209 [0,0,0,1,0,1|2,0,0]=4 2547 B12R2.2383 c1coc(COCC2CO2)c1 Amb9722463 [0,0,0,1,0,1|0,0,2]=4 2548 B12R2.44 O=CC1CCc2occc2C1 Amb18201953 [0,1,0,1,0,0|1,0,1]=4 2549 B12R2.134 CC1C(=O)CC1c2cccs2 Amb28458072 [0,1,0,1,0,0|1,1,0]=4 2550 B12R2.134 CC1C(=O)NC1c2ccco2 Amb27248408 [0,1,0,1,0,0|1,0,0]=3 2551 B12R2.134 CC1C(=O)NC1c2cccs2 Amb24681883 [0,1,0,1,0,0|1,1,0]=4 2552 B12R2.134 C[C@@H]1C(=O)N[C@@H]1c2cccs2 Amb27478761 [0,1,0,1,0,0|1,1,0]=4 2553 B12R2.134 N[C@@H]1C(=O)N[C@H]1c2ccco2 Amb27803898 [0,1,0,1,0,0|1,0,0]=3 2554 B12R2.134 O=C1N[C@@H](c2ccco2)[C@H]1O Amb27969259 [0,1,0,1,0,0|1,0,0]=3 2555 B12R2.2056 c1coc(COC2CNC2)c1 Amb25991277 [0,1,0,1,0,0|1,0,1]=4 2556 B12R2.76 Cc1ccc(C2CC(=O)N2)s1 Amb27409350 [0,1,0,1,0,0|1,1,0]=4 2557 B12R2.76 O=C1CC(c2cc(Br)cs2)C1 Amb28206538 [0,1,0,1,0,0|1,1,0]=4 2558 B12R2.76 O=C1CC(c2cc(Br)cs2)N1 Amb25285787 [0,1,0,1,0,0|1,1,0]=4 2559 B12R2.76 O=C1CC(c2ccc(Br)o2)C1 Amb27162680 [0,1,0,1,0,0|1,0,0]=3 2560 B12R2.76 O=C1CC(c2ccc(Br)s2)N1 Amb25319058 [0,1,0,1,0,0|1,1,0]=4 2561 B12R2.76 O=C1CC(c2ccc(Cl)s2)C1 Amb24579925 [0,1,0,1,0,0|1,1,0]=4 2562 B12R2.76 O=C1CC(c2ccc(Cl)s2)N1 Amb28074980 [0,1,0,1,0,0|1,1,0]=4 2563 B12R2.132 Cc1noc2c1CC(=O)CC2 Amb27854287 [0,1,0,1,0,0|2,0,0]=4 2564 B12R2.132 Cn1cnc2c1CC(=O)OC2 Amb32410279 [0,1,0,1,0,0|2,0,0]=4 2565 B12R2.606 Cc1nc2c(o1)CCC(=O)C2 Amb27147142 [0,1,0,1,0,0|2,0,0]=4 2566 B12R2.246 CC1CC(=O)Nc2ccoc21 Amb28040909 [0,1,0,1,0,0|2,0,0]=4 2567 B12R2.246 O=C1Cc2ccsc2C(=O)O1 Amb27445096 [0,1,0,1,0,0|0,1,1]=4 2568 B12R2.246 O=C1Cn2cccc2C(=O)O1 Amb32671373 [0,1,0,1,0,0|1,0,1]=4 2569 B12R2.111 Cc1ccsc1C2CC(=O)C2 Amb27668420 [0,1,0,1,0,0|1,1,0]=4 2570 B12R2.111 Cc1ccsc1C2CC(=O)N2 Amb24504904 [0,1,0,1,0,0|1,1,0]=4 2571 B12R2.111 O=C1CC(c2occc2Br)N1 Amb27833780 [0,1,0,1,0,0|1,0,0]=3 2572 B12R2.111 O=C1CC(c2sccc2Br)N1 Amb27434795 [0,1,0,1,0,0|1,1,0]=4 2573 B8R0.16 C=CC(CC(C)=O)OC Amb26556400 [0,0,1,0,1,0|0,0,2]=4 2574 B8R0.16 C=C\C(=C/C(C)=O)OC Amb26934531 [0,0,1,0,1,0|0,0,2]=4 2575 B8R0.5 C=COC(=O)CC(C)=O Amb28285292 [0,0,1,0,1,0|1,0,0]=3 2576 B8R0.5 C=COC(C)CC(C)=O Amb27780768 [0,0,1,0,1,0|0,0,2]=4 2577 B8R1.7 C=C(Br)c1ccco1 Amb28075689 [0,0,0,0,2,0|1,0,1]=4 2578 B8R1.7 C=C(C)c1ccco1 Amb24532306 [0,0,0,0,2,0|1,0,0]=3 2579 B8R1.7 C=C(C)c1cccs1 Amb28141914 [0,0,0,0,2,0|1,1,0]=4 2580 B8R1.7 CC(=O)C1=CCCO1 Amb25759909 [0,0,0,0,2,0|0,0,2]=4 2581 B8R1.7 CC(=O)C1=C[CH-]C=C1 Amb2227554 [0,0,0,0,2,0|1,0,1]=4 2582 B8R1.7 CC(=O)[c-]1cccc1 Amb34916050 [0,0,0,0,2,0|1,0,1]=4 2583 B8R1.7 CC(=O)c1cc[se]c1 Amb2611517 [0,0,0,0,2,0|2,0,0]=4 2584 B8R1.7 CC(=O)c1ccc[se]1 Amb17673999 [0,0,0,0,2,0|0,1,0]=3 2585 B8R1.7 CC(=O)c1ccco1 Amb2782007 [0,0,0,0,2,0|0,0,0]=2 2586 B8R1.7 CC(=O)c1cccs1 Amb2684284 [0,0,0,0,2,0|0,1,0]=3 2587 B8R1.7 CC(=O)c1ccno1 Amb20242198 [0,0,0,0,2,0|1,0,0]=3 2588 B8R1.7 CC(=O)c1ccns1 Amb13883508 [0,0,0,0,2,0|1,1,0]=4 2589 B8R1.7 CC(=O)c1ccoc1 Amb2440799 [0,0,0,0,2,0|2,0,0]=4 2590 B8R1.7 CC(=O)c1ccon1 Amb20242197 [0,0,0,0,2,0|2,0,0]=4 2591 B8R1.7 CC(=O)c1ccsc1 Amb535812 [0,0,0,0,2,0|2,0,0]=4 2592 B8R1.7 CC(=O)c1ccsn1 Amb25044341 [0,0,0,0,2,0|2,0,0]=4 2593 B8R1.7 CC(=O)c1cnco1 Amb24737064 [0,0,0,0,2,0|1,0,0]=3 2594 B8R1.7 CC(=O)c1cncs1 Amb33531201 [0,0,0,0,2,0|1,1,0]=4 2595 B8R1.7 CC(=O)c1cocn1 Amb18833111 [0,0,0,0,2,0|2,0,0]=4 2596 B8R1.7 CC(=O)c1cscn1 Amb33543399 [0,0,0,0,2,0|2,0,0]=4 2597 B8R1.7 CC(=O)c1ncco1 Amb19958429 [0,0,0,0,2,0|1,0,0]=3 2598 B8R1.7 CC(=O)c1nccs1 Amb2684283 [0,0,0,0,2,0|1,1,0]=4 2599 B8R1.7 CC(=O)c1ncno1 Amb25119390 [0,0,0,0,2,0|2,0,0]=4 2600 B8R1.7 CC(=O)c1nnco1 Amb28322871 [0,0,0,0,2,0|2,0,0]=4 2601 B8R1.7 CC(=O)n1cccn1 Amb3372586 [0,0,0,0,2,0|2,0,0]=4 2602 B8R1.7 CC(C)=C1C=CC=C1 Amb2720978 [0,0,0,0,2,0|2,0,0]=4 2603 B8R1.7 CC(C)c1ccco1 Amb22168231 [0,0,0,0,2,0|1,0,1]=4 2604 B8R1.7 CC(Cl)c1ccco1 Amb17138373 [0,0,0,0,2,0|1,0,1]=4 2605 B8R1.7 CC(N)=C1C=CC=C1 Amb27245689 [0,0,0,0,2,0|2,0,0]=4 2606 B8R1.7 CC(N)c1ccco1 Amb6893074 [0,0,0,0,2,0|1,0,1]=4 2607 B8R1.7 CC(N)c1ccco1 Amb9745704 [0,0,0,0,2,0|1,0,1]=4 2608 B8R1.7 CC(O)c1ccco1 Amb2725588 [0,0,0,0,2,0|0,0,2]=4 2609 B8R1.7 CC(S)c1ccco1 Amb9208025 [0,0,0,0,2,0|0,1,1]=4 2610 B8R1.7 C[C@@H](N)c1ccco1 Amb13952986 [0,0,0,0,2,0|1,0,1]=4 2611 B8R1.7 C[C@@H](N)c1ccco1 Amb30526698 [0,0,0,0,2,0|1,0,1]=4 2612 B8R1.7 C[C@@H](O)c1ccco1 Amb8515979 [0,0,0,0,2,0|0,0,2]=4 2613 B8R1.7 C[C@H](N)c1ccco1 Amb13952985 [0,0,0,0,2,0|1,0,1]=4 2614 B8R1.7 C[C@H](N)c1ccco1 Amb28934820 [0,0,0,0,2,0|1,0,1]=4 2615 B8R1.7 C[C@H](O)c1ccco1 Amb8515981 [0,0,0,0,2,0|0,0,2]=4 2616 B8R1.7 C[SiH](C)c1ccco1 Amb27624813 [0,0,0,0,2,0|1,1,0]=4 2617 B8R1.7 N=C(N)c1ccco1 Amb13952844 [0,0,0,0,2,0|2,0,0]=4 2618 B8R1.7 N=C(N)c1ccco1 Amb2695169 [0,0,0,0,2,0|2,0,0]=4 2619 B8R1.7 N=C(N)c1ccco1 Amb9210508 [0,0,0,0,2,0|2,0,0]=4 2620 B8R1.7 NC(=O)c1ccco1 Amb6373632 [0,0,0,0,2,0|1,0,0]=3 2621 B8R1.7 NC(=O)c1cccs1 Amb2722696 [0,0,0,0,2,0|1,1,0]=4 2622 B8R1.7 NC(=O)c1ccno1 Amb4477414 [0,0,0,0,2,0|2,0,0]=4 2623 B8R1.7 NC(=O)c1cnco1 Amb22000976 [0,0,0,0,2,0|2,0,0]=4 2624 B8R1.7 NC(=O)c1ncco1 Amb21963562 [0,0,0,0,2,0|2,0,0]=4 2625 B8R1.7 NC(=S)c1ccco1 Amb2099744 [0,0,0,0,2,0|1,1,0]=4 2626 B8R1.7 O=C(Br)c1cccs1 Amb27239935 [0,0,0,0,2,0|1,1,0]=4 2627 B8R1.7 O=C(Cl)c1ccco1 Amb2716231 [0,0,0,0,2,0|1,0,0]=3 2628 B8R1.7 O=C(Cl)c1cccs1 Amb1157175 [0,0,0,0,2,0|1,1,0]=4 2629 B8R1.7 O=C(Cl)c1ccno1 Amb2689052 [0,0,0,0,2,0|2,0,0]=4 2630 B8R1.7 O=C(Cl)c1cnco1 Amb26915176 [0,0,0,0,2,0|2,0,0]=4 2631 B8R1.7 O=C(O)c1ccc[se]1 Amb2611630 [0,0,0,0,2,0|1,1,0]=4 2632 B8R1.7 O=C(O)c1ccco1 Amb6335264 [0,0,0,0,2,0|1,0,0]=3 2633 B8R1.7 O=C(O)c1cccs1 Amb2690602 [0,0,0,0,2,0|1,1,0]=4 2634 B8R1.7 O=C(O)c1ccno1 Amb1152220 [0,0,0,0,2,0|2,0,0]=4 2635 B8R1.7 O=C(O)c1cnco1 Amb1158212 [0,0,0,0,2,0|2,0,0]=4 2636 B8R1.7 O=C(O)c1ncco1 Amb8009395 [0,0,0,0,2,0|2,0,0]=4 2637 B8R1.7 O=C([O-])c1cccs1 Amb10067272 [0,0,0,0,2,0|1,1,0]=4 2638 B8R1.7 O=C([O-])c1ncco1 Amb33547593 [0,0,0,0,2,0|2,0,0]=4 2639 B8R1.7 O=C([O-])c1ncco1 Amb33733801 [0,0,0,0,2,0|2,0,0]=4 2640 B8R1.7 O=S([O-])c1ccco1 Amb32754730 [0,0,0,0,2,0|2,0,0]=4 2641 B8R1.7 O=[N+]([O-])c1ccco1 Amb10573954 [0,0,0,0,2,0|2,0,0]=4 2642 B8R1.35 CC(=O)OCC1CO1 Amb10789133 [0,0,0,0,2,0|0,0,2]=4 2643 B8R1.35 CC(=O)OC[C@@H]1CO1 Amb27391694 [0,0,0,0,2,0|0,0,2]=4 2644 B10R1.17 C=COCc1ccccc1 Amb17940722 [1,0,0,0,0,1|1,0,1]=4 2645 B10R1.17 CCOCc1ccccc1 Amb9787555 [1,0,0,0,0,1|1,0,1]=4 2646 B10R1.17 CCOCc1ccccn1 Amb27267027 [1,0,0,0,0,1|1,0,1]=4 2647 B10R1.17 CCOCc1ccncc1 Amb27255285 [1,0,0,0,0,1|1,0,1]=4 2648 B10R1.17 CNOCc1ccccc1 Amb22059601 [1,0,0,0,0,1|2,0,0]=4 2649 B10R1.17 CNOCc1ccccc1 Amb32412803 [1,0,0,0,0,1|2,0,0]=4 2650 B10R1.17 C\C=C/Cc1cccnc1 Amb27470932 [1,0,0,0,0,1|2,0,0]=4 2651 B10R1.17 C\C=C\Cc1ccccc1 Amb4035140 [1,0,0,0,0,1|2,0,0]=4 2652 B10R1.17 O=CCCc1ccccc1 Amb2720576 [1,0,0,0,0,1|2,0,0]=4 2653 B10R1.17 O=CCCc1ccccn1 Amb17081674 [1,0,0,0,0,1|2,0,0]=4 2654 B10R1.17 O=CCCc1cccnc1 Amb17081675 [1,0,0,0,0,1|2,0,0]=4 2655 B10R1.17 O=CCCc1ccncc1 Amb8388451 [1,0,0,0,0,1|2,0,0]=4 2656 B10R1.17 O=CCCc1ccncn1 Amb26958514 [1,0,0,0,0,1|2,0,0]=4 2657 B10R1.17 O=CCCc1cnccn1 Amb25876683 [1,0,0,0,0,1|2,0,0]=4 2658 B10R1.17 O=CCCc1ncccn1 Amb24056162 [1,0,0,0,0,1|2,0,0]=4 2659 B10R1.17 O=CNCc1ccccc1 Amb1916036 [1,0,0,0,0,1|2,0,0]=4 2660 B10R1.17 O=CNCc1ccccn1 Amb22370826 [1,0,0,0,0,1|2,0,0]=4 2661 B10R1.17 O=CNCc1cccnc1 Amb2694543 [1,0,0,0,0,1|2,0,0]=4 2662 B10R1.17 O=CNCc1ncccn1 Amb27638889 [1,0,0,0,0,1|2,0,0]=4 2663 B10R1.17 O=COCc1ccccc1 Amb4605893 [1,0,0,0,0,1|1,0,0]=3 2664 B10R1.17 O=C[CH]Cc1ccccc1 Amb34916523 [1,0,0,0,0,1|2,0,0]=4 2665 B12R1.252 C=C(C)COCc1ccccc1 Amb28062621 [0,0,0,0,0,2|2,0,0]=4 2666 B12R1.252 CC(=O)C#CCc1ccccc1 Amb27177980 [0,0,0,0,0,2|2,0,0]=4 2667 B12R1.252 CC(=O)CCCc1ccccc1 Amb4358586 [0,0,0,0,0,2|2,0,0]=4 2668 B12R1.252 CC(=O)CCCc1ccccn1 Amb1102603 [0,0,0,0,0,2|2,0,0]=4 2669 B12R1.252 CC(=O)CCCc1cccnc1 Amb17232426 [0,0,0,0,0,2|2,0,0]=4 2670 B12R1.252 CC(=O)CCNc1ccccc1 Amb26422328 [0,0,0,0,0,2|2,0,0]=4 2671 B12R1.252 CC(=O)CCOc1ccccc1 Amb7777351 [0,0,0,0,0,2|2,0,0]=4 2672 B12R1.252 CC(=O)CCSc1ccccc1 Amb4020770 [0,0,0,0,0,2|2,0,0]=4 2673 B12R1.252 CC(=O)COCc1ccccc1 Amb3433615 [0,0,0,0,0,2|1,0,0]=3 2674 B12R1.252 CC(=O)CONc1ccccc1 Amb28243855 [0,0,0,0,0,2|2,0,0]=4 2675 B12R1.252 CC(=O)CSCc1ccccc1 Amb4018341 [0,0,0,0,0,2|1,1,0]=4 2676 B12R1.252 CC(=O)NCCc1ccccc1 Amb2781514 [0,0,0,0,0,2|2,0,0]=4 2677 B12R1.252 CC(=O)NCCc1cnccn1 Amb25277212 [0,0,0,0,0,2|2,0,0]=4 2678 B12R1.252 CC(=O)NCSc1ccccc1 Amb27797274 [0,0,0,0,0,2|2,0,0]=4 2679 B12R1.252 CC(=O)NNCc1ccccn1 Amb28366245 [0,0,0,0,0,2|2,0,0]=4 2680 B12R1.252 CC(=O)OCCc1ccccc1 Amb6357159 [0,0,0,0,0,2|1,0,0]=3 2681 B12R1.252 CC(=O)OCCc1ccccn1 Amb8391177 [0,0,0,0,0,2|1,0,0]=3 2682 B12R1.252 CC(=O)O\C=C\c1ccccc1 Amb25829428 [0,0,0,0,0,2|1,0,1]=4 2683 B12R1.252 CC(=O)O\N=C\c1cnccn1 Amb27225070 [0,0,0,0,0,2|1,0,1]=4 2684 B12R1.252 CC(=O)\C=C\Cc1ccccc1 Amb32954414 [0,0,0,0,0,2|2,0,0]=4 2685 B12R1.252 CC(C)=NOCc1ccccc1 Amb27827763 [0,0,0,0,0,2|2,0,0]=4 2686 B12R1.252 CC(C)=NOCc1cccnc1 Amb27980286 [0,0,0,0,0,2|2,0,0]=4 2687 B12R1.252 C\C(N)=N\OCc1ccccc1 Amb27760408 [0,0,0,0,0,2|2,0,0]=4 2688 B12R1.252 NC(=O)COCc1ccccc1 Amb8858432 [0,0,0,0,0,2|2,0,0]=4 2689 B12R1.252 NC(=O)NOCc1ccccc1 Amb1199324 [0,0,0,0,0,2|2,0,0]=4 2690 B12R1.252 NC(=O)NOCc1cccnc1 Amb27178645 [0,0,0,0,0,2|2,0,0]=4 2691 B12R1.252 NC(=O)NOCc1ncccn1 Amb27178647 [0,0,0,0,0,2|2,0,0]=4 2692 B12R1.252 O=C(Cl)COCc1ccccc1 Amb3939158 [0,0,0,0,0,2|2,0,0]=4 2693 B12R1.252 O=C(Cl)OCCc1ccccc1 Amb32661047 [0,0,0,0,0,2|2,0,0]=4 2694 B12R1.252 O=C(Cl)OCCc1ccccn1 Amb33297001 [0,0,0,0,0,2|2,0,0]=4 2695 B12R1.252 O=C(Cl)OCCc1cccnc1 Amb33297282 [0,0,0,0,0,2|2,0,0]=4 2696 B12R1.252 O=C(Cl)OCCc1cnccn1 Amb33297047 [0,0,0,0,0,2|2,0,0]=4 2697 B12R1.252 O=C(O)COCc1ccccc1 Amb3939856 [0,0,0,0,0,2|2,0,0]=4 2698 B12R1.252 O=C(O)COCc1ccccn1 Amb32680346 [0,0,0,0,0,2|2,0,0]=4 2699 B12R1.252 O=C(O)COCc1ccccn1 Amb33548165 [0,0,0,0,0,2|2,0,0]=4 2700 B12R1.252 O=C(O)COCc1cccnc1 Amb28653073 [0,0,0,0,0,2|2,0,0]=4 2701 B12R1.252 O=C(O)COCc1ccncc1 Amb13883046 [0,0,0,0,0,2|2,0,0]=4 2702 B12R1.252 O=C(O)COCc1ccncc1 Amb8010071 [0,0,0,0,0,2|2,0,0]=4 2703 B12R1.255 CC(=O)CC\C=C\c1cccs1 Amb18224700 [0,0,0,0,0,2|1,1,0]=4 2704 B12R1.255 CC(=O)\C=C\C=C\c1ccco1 Amb27947680 [0,0,0,0,0,2|1,0,1]=4 2705 B12R1.255 NC(=O)CCNCc1ccco1 Amb8841098 [0,0,0,0,0,2|2,0,0]=4 2706 B12R1.255 O=C(O)C#CCCc1ccco1 Amb27664517 [0,0,0,0,0,2|2,0,0]=4 2707 B12R1.255 O=C(O)CCCCc1ccco1 Amb18646922 [0,0,0,0,0,2|2,0,0]=4 2708 B12R1.255 O=C(O)CCNCc1ccco1 Amb2592334 [0,0,0,0,0,2|2,0,0]=4 2709 B12R1.255 O=C(O)CCSCc1ccco1 Amb6760941 [0,0,0,0,0,2|1,1,0]=4 2710 B12R1.255 O=C(O)COCCc1cccs1 Amb17470682 [0,0,0,0,0,2|1,1,0]=4 2711 B12R1.255 O=C(O)CO\N=C\c1ccco1 Amb1852351 [0,0,0,0,0,2|1,0,1]=4 2712 B12R1.255 O=C(O)\C=C\CCc1ccco1 Amb33470069 [0,0,0,0,0,2|2,0,0]=4 2713 B12R1.255 O=C(O)\C=C\SCc1ccco1 Amb20667695 [0,0,0,0,0,2|1,1,0]=4