0 B11R2.191 NCc1ncn2ccoc12 Amb27869583 [0,0,0,0,0,0|0,0,2]=2 1 B11R2.191 NCc1ncn2ccsc12 Amb27490894 [0,0,0,0,0,0|0,1,2]=3 2 B11R2.191 O=Cc1ccn2ccsc12 Amb28072814 [0,0,0,0,0,0|2,1,0]=3 3 B11R2.191 O=Cc1csc2ccoc12 Amb18139527 [0,0,0,0,0,0|4,0,0]=4 4 B11R2.191 O=Cc1ncn2c1CCC2 Amb18832464 [0,0,0,0,0,0|2,0,2]=4 5 B11R2.191 O=Cc1ncn2ccsc12 Amb18201330 [0,0,0,0,0,0|1,1,0]=2 6 B11R2.191 OCc1ccn2ccsc12 Amb28315819 [0,0,0,0,0,0|2,1,1]=4 7 B10R2.32 Brc1ncn2ccoc12 Amb18191167 [1,0,0,0,0,0|1,0,0]=2 8 B10R2.32 Ic1ncn2ccsc12 Amb24727311 [1,0,0,0,0,0|1,1,0]=3 9 B10R2.32 Nc1ccn2ccsc12 Amb27614307 [1,0,0,0,0,0|1,1,1]=4 10 B10R2.32 Nc1ncn2ccoc12 Amb18832970 [1,0,0,0,0,0|0,0,1]=2 11 B10R2.32 Nc1ncn2ccsc12 Amb18832029 [1,0,0,0,0,0|0,1,1]=3 12 B12R2.72 Cc1nn2ccoc2c1C=O Amb18831316 [0,1,0,0,0,0|3,0,0]=4 13 B12R2.144 O=C=Nc1ncn2ccsc12 Amb27971082 [0,1,0,0,0,0|1,1,1]=4 14 B12R2.367 Cc1csc2c(C=O)ncn12 Amb18199614 [0,1,0,0,0,0|1,1,0]=3 15 B12R2.375 O=Cc1ncn2cc(Br)sc12 Amb27828522 [0,1,0,0,0,0|1,1,0]=3 16 B12R2.1362 CC(=O)c1ncn2ccoc12 Amb27764264 [0,1,0,0,0,0|1,0,0]=2 17 B12R2.1362 CC(=O)c1ncn2ccsc12 Amb25337543 [0,1,0,0,0,0|1,1,0]=3 18 B12R2.1362 O=C(O)c1ccn2ccsc12 Amb26554928 [0,1,0,0,0,0|2,1,0]=4 19 B12R2.1362 O=C(O)c1ncn2ccoc12 Amb28280132 [0,1,0,0,0,0|1,0,0]=2 20 B12R2.2263 CSc1nc(I)n2ccsc12 Amb27642968 [0,1,0,0,0,0|2,1,0]=4 21 B12R2.2263 Cc1nc(C=O)c2sccn12 Amb18199613 [0,1,0,0,0,0|1,1,0]=3 22 B12R2.2263 Cc1nc(CO)c2occn12 Amb27951731 [0,1,0,0,0,0|1,0,1]=3 23 B10R1.5 O=Cc1ccoc1\C=C\O Amb27240099 [0,0,1,0,0,0|3,0,0]=4 24 B10R1.96 O=Cc1cn(CCO)cn1 Amb28041169 [0,0,1,0,0,0|1,0,2]=4 25 B10R1.161 O=Cc1ccoccoc1 Amb28050025 [0,0,1,0,0,0|3,0,0]=4 26 B12R3.1615 c1cn2c3ccc(c2n1)C3 Amb25760624 [0,0,0,1,0,0|3,0,0]=4 27 B12R2.1 ClCc1ncn2ccccc12 Amb23560033 [0,0,0,0,0,1|2,0,1]=4 28 B12R2.1 N#Cc1ncn2ccccc12 Amb23454456 [0,0,0,0,0,1|1,0,2]=4 29 B12R2.1 O=Cc1ccn2ccccc12 Amb24089168 [0,0,0,0,0,1|3,0,0]=4 30 B12R2.1 O=Cc1ncn2ccccc12 Amb18559503 [0,0,0,0,0,1|2,0,0]=3 31 B12R2.1 O=Cc1ncn2ccncc12 Amb18831424 [0,0,0,0,0,1|2,0,0]=3 32 B12R2.1 O=Cc1ncn2ncccc12 Amb18831429 [0,0,0,0,0,1|2,0,0]=3 33 B12R2.1 O=Cc1nnn2ccccc12 Amb18202317 [0,0,0,0,0,1|3,0,0]=4 34 B12R2.1 OCc1ncn2ccccc12 Amb22493894 [0,0,0,0,0,1|2,0,1]=4 35 B12R2.1 SCc1ncn2ccccc12 Amb23560063 [0,0,0,0,0,1|2,0,1]=4 36 B12R2.44 BrCc1cc2occc2cn1 Amb27597633 [0,0,0,0,0,1|2,0,1]=4 37 B12R2.44 NCc1cc2cccn2cn1 Amb10067647 [0,0,0,0,0,1|1,0,2]=4 38 B12R2.44 NCc1cc2cccn2cn1 Amb22737760 [0,0,0,0,0,1|1,0,2]=4 39 B12R2.44 NCc1cc2occc2cn1 Amb22737757 [0,0,0,0,0,1|1,0,2]=4 40 B12R2.44 O=Cc1cc2cccn2cn1 Amb24082049 [0,0,0,0,0,1|2,0,0]=3 41 B12R2.44 O=Cc1ccc2ccoc2c1 Amb18831461 [0,0,0,0,0,1|3,0,0]=4 42 B12R2.44 O=Cc1ccc2ccoc2n1 Amb18831432 [0,0,0,0,0,1|3,0,0]=4 43 B12R2.44 O=Cc1ccn2ccnc2c1 Amb18831455 [0,0,0,0,0,1|3,0,0]=4 44 B12R2.44 O=Cc1ccn2ccnc2n1 Amb24081844 [0,0,0,0,0,1|3,0,0]=4 45 B12R2.315 BrCc1nccn2ccnc12 Amb28127300 [0,0,0,0,0,1|2,0,1]=4 46 B12R2.315 CNc1nccn2ccnc12 Amb25145703 [0,0,0,0,0,1|3,0,0]=4 47 B12R2.315 COc1nccc2ccoc12 Amb24092165 [0,0,0,0,0,1|3,0,0]=4 48 B12R2.315 COc1nccn2ccnc12 Amb20670540 [0,0,0,0,0,1|3,0,0]=4 49 B12R2.315 COc1ncnc2ccoc12 Amb24741953 [0,0,0,0,0,1|3,0,0]=4 50 B12R2.315 COc1nncc2ccoc12 Amb32658709 [0,0,0,0,0,1|3,0,0]=4 51 B12R2.315 CSc1ncnn2cccc12 Amb26445307 [0,0,0,0,0,1|3,0,0]=4 52 B12R2.315 ClCc1nccc2ccoc12 Amb27878519 [0,0,0,0,0,1|2,0,1]=4 53 B12R2.315 ClCc1nccn2ccnc12 Amb27589768 [0,0,0,0,0,1|2,0,1]=4 54 B12R2.315 N#Cc1cncn2cccc12 Amb27453952 [0,0,0,0,0,1|1,0,2]=4 55 B12R2.315 NCc1nccn2cccc12 Amb18202297 [0,0,0,0,0,1|1,0,2]=4 56 B12R2.315 NCc1nccn2ccnc12 Amb22737752 [0,0,0,0,0,1|1,0,2]=4 57 B12R2.315 NNc1nccn2ccnc12 Amb20527603 [0,0,0,0,0,1|2,0,1]=4 58 B12R2.315 NNc1ncnn2ccnc12 Amb18201972 [0,0,0,0,0,1|2,0,1]=4 59 B12R2.315 O=Cc1cccc2ccoc12 Amb18644252 [0,0,0,0,0,1|3,0,0]=4 60 B12R2.315 O=Cc1cccn2ccnc12 Amb18202366 [0,0,0,0,0,1|3,0,0]=4 61 B12R2.315 O=Cc1cncc2cnoc12 Amb18202278 [0,0,0,0,0,1|3,0,0]=4 62 B12R2.315 O=Cc1nccc2ccoc12 Amb18202341 [0,0,0,0,0,1|2,0,0]=3 63 B12R2.315 O=Cc1nccc2ccsc12 Amb18199798 [0,0,0,0,0,1|2,1,0]=4 64 B12R2.315 O=Cc1nccn2ncnc12 Amb32669755 [0,0,0,0,0,1|3,0,0]=4 65 B12R2.315 OCc1nccn2cccc12 Amb25329735 [0,0,0,0,0,1|2,0,1]=4 66 B12R2.315 OCc1nccn2ccnc12 Amb27983280 [0,0,0,0,0,1|2,0,1]=4 67 B9R1.12 O=C\C=C\c1ccoc1 Amb33136412 [1,0,1,0,0,0|2,0,0]=4 68 B9R1.21 C=Cn1ccc(C=O)c1 Amb27409922 [1,0,1,0,0,0|2,0,0]=4 69 B9R2.3 c1cc2cscc2o1 Amb27817005 [2,0,0,0,0,0|2,0,0]=4 70 B9R2.3 c1cc2sccn2c1 Amb28312857 [2,0,0,0,0,0|1,1,0]=4 71 B9R2.3 c1cn2cncc2s1 Amb27453580 [2,0,0,0,0,0|0,1,0]=3 72 B9R2.3 c1cn2cnnc2s1 Amb28200605 [2,0,0,0,0,0|1,1,0]=4 73 B11R1.43 O=Cc1cn(CC(=O)O)cn1 Amb22756287 [0,1,1,0,0,0|1,0,1]=4 74 B11R1.43 O=Cc1cn(CC(=O)O)cn1 Amb32683547 [0,1,1,0,0,0|1,0,1]=4 75 B11R2.60 Cc1csc2c(I)ncn12 Amb27162141 [1,1,0,0,0,0|1,1,0]=4 76 B11R2.60 Cc1ncn2c1C=CC2=O Amb24480374 [1,1,0,0,0,0|1,0,1]=4 77 B11R2.66 Cc1cn2cnc(Br)c2o1 Amb18186523 [1,1,0,0,0,0|1,0,0]=3 78 B11R2.66 Cc1cn2cnc(N)c2o1 Amb18832371 [1,1,0,0,0,0|0,0,1]=3 79 B11R2.66 Cc1ncn2cc(Br)sc12 Amb22497827 [1,1,0,0,0,0|0,1,1]=4 80 B11R2.67 Nc1ncn2ccn(O)c12 Amb28067731 [1,1,0,0,0,0|1,0,1]=4 81 B11R2.202 Cc1nc(Br)c2occn12 Amb18187198 [1,1,0,0,0,0|1,0,0]=3 82 B11R2.202 Cc1nc(N)c2occn12 Amb18832372 [1,1,0,0,0,0|0,0,1]=3 83 B11R2.202 Clc1nc(I)c2sccn12 Amb27273144 [1,1,0,0,0,0|1,1,0]=4 84 B11R2.202 Ic1nc(I)n2ccsc12 Amb23399763 [1,1,0,0,0,0|1,1,0]=4 85 B13R2.72 CC(=O)c1ncn2ccccc12 Amb18061982 [0,1,0,0,0,1|2,0,0]=4 86 B13R2.72 CC(=O)c1ncn2ccncc12 Amb18830006 [0,1,0,0,0,1|2,0,0]=4 87 B13R2.72 NC(=S)c1ncn2ccccc12 Amb23560008 [0,1,0,0,0,1|1,0,1]=4 88 B13R2.72 O=C(O)c1ncn2ccccc12 Amb18559504 [0,1,0,0,0,1|2,0,0]=4 89 B13R2.72 O=C(O)c1ncn2cccnc12 Amb8011444 [0,1,0,0,0,1|2,0,0]=4 90 B13R2.72 O=C([O-])c1ncn2cccnc12 Amb32663235 [0,1,0,0,0,1|2,0,0]=4 91 B13R2.662 Cc1ccc2c(C=O)ncn2c1 Amb27778649 [0,1,0,0,0,1|2,0,0]=4 92 B13R2.2091 Nc1nccn2cnc(C=O)c12 Amb18829785 [0,1,0,0,0,1|2,0,0]=4 93 B13R2.2091 O=Cc1ncn2ccnc(Br)c12 Amb18162549 [0,1,0,0,0,1|2,0,0]=4 94 B13R2.2091 O=Cc1ncn2ccnc(Cl)c12 Amb18823872 [0,1,0,0,0,1|2,0,0]=4 95 B13R2.2931 Cc1nc(C=O)c2ccccn12 Amb1353190 [0,1,0,0,0,1|2,0,0]=4 96 B13R2.2931 Cc1nc(C=O)c2cccnn12 Amb18830098 [0,1,0,0,0,1|2,0,0]=4 97 B13R2.2931 Cc1nc(C=O)c2cnccn12 Amb27665820 [0,1,0,0,0,1|2,0,0]=4 98 B13R2.2931 O=Cc1nc(Br)n2ccncc12 Amb27215667 [0,1,0,0,0,1|2,0,0]=4 99 B13R2.2931 O=Cc1nc(Cl)n2ccccc12 Amb23560019 [0,1,0,0,0,1|2,0,0]=4 100 B13R2.2931 O=Cc1nc(Cl)n2ccncc12 Amb28051575 [0,1,0,0,0,1|2,0,0]=4 101 B13R2.430 O=C(O)c1cc2cccn2cn1 Amb10067648 [0,1,0,0,0,1|2,0,0]=4 102 B13R2.430 O=C(O)c1cc2cccn2cn1 Amb2608696 [0,1,0,0,0,1|2,0,0]=4 103 B13R2.430 O=C(O)c1cc2occc2cn1 Amb18829553 [0,1,0,0,0,1|2,0,0]=4 104 B13R2.430 O=C(O)c1ncc2ccoc2n1 Amb18522236 [0,1,0,0,0,1|2,0,0]=4 105 B13R2.449 C=CCc1cc2nccn2cn1 Amb8394214 [0,1,0,0,0,1|2,0,0]=4 106 B13R2.2121 O=Cc1cc2cc(Br)cn2cn1 Amb27144529 [0,1,0,0,0,1|2,0,0]=4 107 B13R2.121 O=Cc1c(Cl)ncc2ccoc12 Amb18823877 [0,1,0,0,0,1|2,0,0]=4 108 B13R2.573 O=Cc1nccn2c(Br)cnc12 Amb28326215 [0,1,0,0,0,1|2,0,0]=4 109 B13R2.581 Cc1cn2ccnc(C=O)c2n1 Amb27842236 [0,1,0,0,0,1|2,0,0]=4 110 B13R2.5569 CC(=O)c1nccc2ccoc12 Amb28200872 [0,1,0,0,0,1|2,0,0]=4 111 B13R2.5569 NC(=O)c1nccn2ccnc12 Amb10604671 [0,1,0,0,0,1|1,0,1]=4 112 B13R2.5569 O=C(O)c1cncc2ccoc12 Amb18829557 [0,1,0,0,0,1|2,0,0]=4 113 B13R2.5569 O=C(O)c1nccn2ccnc12 Amb33532445 [0,1,0,0,0,1|2,0,0]=4 114 B13R2.5569 O=C(O)c1nccn2ccnc12 Amb8010288 [0,1,0,0,0,1|2,0,0]=4 115 B13R2.5569 O=C(O)c1ncnn2cccc12 Amb34158702 [0,1,0,0,0,1|2,0,0]=4 116 B13R2.5569 O=C(O)c1ncnn2ccnc12 Amb25681506 [0,1,0,0,0,1|2,0,0]=4 117 B13R2.5569 O=C([O-])c1ncnn2cccc12 Amb35789197 [0,1,0,0,0,1|2,0,0]=4 118 B13R2.1095 COC(=O)c1ncn2ccsc12 Amb22499713 [0,2,0,0,0,0|1,1,0]=4 119 B13R2.1095 O=C(CO)c1ncn2ccsc12 Amb28321345 [0,2,0,0,0,0|1,1,0]=4 120 B13R2.2101 Cc1sc2c(C=O)ncn2c1C Amb18824450 [0,2,0,0,0,0|1,1,0]=4 121 B13R2.3732 CC(=O)c1ncn2c(C)csc12 Amb27199177 [0,2,0,0,0,0|1,1,0]=4 122 B13R2.3732 Cc1csc2c(C(=O)O)ncn12 Amb27436560 [0,2,0,0,0,0|1,1,0]=4 123 B13R2.3732 O=C(O)c1ncn2c(Br)csc12 Amb22497834 [0,2,0,0,0,0|1,1,0]=4 124 B13R2.3335 CC(=O)c1ncn2cc(C)oc12 Amb27976638 [0,2,0,0,0,0|1,0,0]=3 125 B13R2.3335 Cc1cn2cnc(C(=O)O)c2o1 Amb27952920 [0,2,0,0,0,0|1,0,0]=3 126 B13R2.3335 O=C(O)c1ncn2cc(Br)sc12 Amb22497833 [0,2,0,0,0,0|1,1,0]=4 127 B11R2.18 C1=COc2ncsc2C=N1 Amb27635634 [0,0,1,1,0,0|1,0,1]=4 128 B11R2.36 Brc1cc2occc2cn1 Amb18187805 [0,0,1,1,0,0|2,0,0]=4 129 B11R2.36 Cc1cc2nccn2cn1 Amb23401771 [0,0,1,1,0,0|2,0,0]=4 130 B11R2.36 Clc1cc2nccn2cn1 Amb22752834 [0,0,1,1,0,0|2,0,0]=4 131 B11R2.36 Clc1cc2nccn2cn1 Amb31291122 [0,0,1,1,0,0|2,0,0]=4 132 B11R2.36 Clc1cc2occc2cn1 Amb27265954 [0,0,1,1,0,0|2,0,0]=4 133 B11R2.36 Nc1cc2nccn2cn1 Amb18203144 [0,0,1,1,0,0|1,0,1]=4 134 B11R2.36 Nc1cc2occc2cn1 Amb18832517 [0,0,1,1,0,0|1,0,1]=4 135 B11R2.106 Brc1nccc2nccn12 Amb18811232 [0,0,1,1,0,0|2,0,0]=4 136 B11R2.106 Brc1nccc2occc12 Amb18187770 [0,0,1,1,0,0|2,0,0]=4 137 B11R2.106 Cc1nccc2cccn12 Amb26021699 [0,0,1,1,0,0|2,0,0]=4 138 B11R2.106 Cc1nccc2occc12 Amb23585452 [0,0,1,1,0,0|2,0,0]=4 139 B11R2.106 Clc1nccc2cccn12 Amb25679656 [0,0,1,1,0,0|2,0,0]=4 140 B11R2.106 Clc1nccc2nccn12 Amb22496021 [0,0,1,1,0,0|2,0,0]=4 141 B11R2.106 Clc1nccc2occc12 Amb19958464 [0,0,1,1,0,0|2,0,0]=4 142 B11R2.106 Clc1nccc2occc12 Amb2724787 [0,0,1,1,0,0|2,0,0]=4 143 B11R2.106 Fc1nccc2occc12 Amb33621245 [0,0,1,1,0,0|2,0,0]=4 144 B11R2.106 Nc1nccc2nccn12 Amb28189581 [0,0,1,1,0,0|1,0,1]=4 145 B11R2.106 Nc1nccc2occc12 Amb23590989 [0,0,1,1,0,0|1,0,1]=4 146 B11R2.106 O=C1N=CC=C2NC=CN12 Amb19882322 [0,0,1,1,0,0|2,0,0]=4 147 B11R2.2 C1=CC(=C2NC=CN2)C=N1 Amb27771426 [0,0,1,1,0,0|2,0,0]=4 148 B11R2.2 c1coc(-c2cnco2)c1 Amb591268 [0,0,1,1,0,0|2,0,0]=4 149 B11R2.15 O=Cc1cn2ccsc2n1 Amb2723514 [0,0,1,1,0,0|1,1,0]=4 150 B11R2.1 Cn1cnc2cnccc21 Amb23580211 [0,0,1,1,0,0|1,0,1]=4 151 B11R2.1 Cn1cnc2cncnc21 Amb27249935 [0,0,1,1,0,0|1,0,1]=4 152 B11R2.1 Nn1cnc2cncnc21 Amb18832509 [0,0,1,1,0,0|2,0,0]=4 153 B13R3.1913 c1cc2c3ncc(c2o1)CN3 Amb27816655 [0,0,0,1,0,1|1,0,1]=4 154 B13R3.605 C1=CC2=C3OC=CN3C(=C1)O2 Amb27249559 [0,1,0,1,0,0|2,0,0]=4