0 B10R1.15 C/C=C(\C)/c1ccccn1 AIFCHEM-94584209692 [0,0,0,0,0,0|3,0,0]=3 1 B10R1.15 C/C=C(\C)/c1cccnn1 AIFCHEM-94584222994 [0,0,0,0,0,0|4,0,0]=4 2 B10R1.15 C/C=C(\C)/c1cnccn1 AIFCHEM-94584219793 [0,0,0,0,0,0|4,0,0]=4 3 B10R1.15 CCN(C)c1cccnc1 AIFCHEM-94537417258 [0,0,0,0,0,0|4,0,0]=4 4 B9R1.8 CCNc1ccccn1 AIFCHEM-94537422158 [1,0,0,0,0,0|3,0,0]=4 5 B11R1.22 C/C=C(\C)/c1ccc(cc1)C AIFCHEM-94584220431 [0,1,0,0,0,0|2,0,0]=3 6 B11R1.22 C/C=C(\C)/c1ccc(nc1)O AIFCHEM-94584212304 [0,1,0,0,0,0|3,0,0]=4 7 B11R1.22 CCN(C)c1ccc(cc1)Br AIFCHEM-94537424462 [0,1,0,0,0,0|3,0,0]=4 8 B11R1.22 CCN(C)c1ccc(cc1)C AIFCHEM-94537423659 [0,1,0,0,0,0|3,0,0]=4 9 B11R1.22 CCN(C)c1ccc(cc1)I AIFCHEM-94568454920 [0,1,0,0,0,0|3,0,0]=4 10 B11R1.22 CCN(C)c1ccc(cc1)O AIFCHEM-94520567749 [0,1,0,0,0,0|3,0,0]=4 11 B11R1.23 C/C=C(\C)/c1cc(ccn1)C AIFCHEM-94584218926 [0,1,0,0,0,0|3,0,0]=4 12 B11R1.23 C/C=C(\C)/c1cccc(c1)F AIFCHEM-94584209876 [0,1,0,0,0,0|2,0,0]=3 13 B11R1.23 C/C=C(\C)/c1cccc(n1)C AIFCHEM-94584219398 [0,1,0,0,0,0|3,0,0]=4 14 B11R1.23 C/C=C(\C)/c1cccc(n1)N AIFCHEM-94584215194 [0,1,0,0,0,0|3,0,0]=4 15 B11R1.23 C/C=C(\C)/c1cccc(n1)O AIFCHEM-94584216776 [0,1,0,0,0,0|3,0,0]=4 16 B11R1.23 C/C=C(\C)/c1ccnc(c1)C AIFCHEM-94584215958 [0,1,0,0,0,0|3,0,0]=4 17 B11R1.23 CCN(C)c1cccc(c1)Br AIFCHEM-94537415946 [0,1,0,0,0,0|3,0,0]=4 18 B11R1.222 C/C=C(\C)/c1ccccc1O AIFCHEM-94584219423 [0,1,0,0,0,0|2,0,0]=3 19 B11R1.222 C/C=C(\C)/c1ncccc1O AIFCHEM-94584218309 [0,1,0,0,0,0|3,0,0]=4 20 B9R1.11 C/C=C(\C)/c1ccco1 AIFCHEM-94584220027 [0,0,0,0,1,0|3,0,0]=4 21 B9R1.11 C/C=C(\C)/c1ccoc1 AIFCHEM-94584215864 [0,0,0,0,1,0|3,0,0]=4 22 B11R1.40 C#CC(=O)Nc1cccnc1 AIFCHEM-94525199177 [0,0,0,0,0,1|2,0,1]=4 23 B11R1.40 CCC(=O)Nc1ccccn1 AIFCHEM-94526506315 [0,0,0,0,0,1|2,0,0]=3 24 B11R1.40 CCC(=O)Nc1cccnn1 AIFCHEM-94554024128 [0,0,0,0,0,1|3,0,0]=4 25 B11R1.40 CCN(C)Cc1ccccc1 AIFCHEM-94537411577 [0,0,0,0,0,1|3,0,0]=4 26 B11R1.40 O=C(CO)Nc1cccnc1 AIFCHEM-94531016168 [0,0,0,0,0,1|3,0,0]=4 27 B10R1.1 CC=Cc1ccc(cc1)N AIFCHEM-94608719473 [1,1,0,0,0,0|1,0,0]=3 28 B10R1.1 CC=Cc1ccc(cn1)F AIFCHEM-6302156631 [1,1,0,0,0,0|2,0,0]=4 29 B10R1.1 CCNc1ccc(cc1)C AIFCHEM-94537411875 [1,1,0,0,0,0|2,0,0]=4 30 B10R1.4 CC=Cc1ccccc1C AIFCHEM-6371242545 [1,1,0,0,0,0|1,0,0]=3 31 B10R1.4 CC=Cc1cnccc1F AIFCHEM-6369068956 [1,1,0,0,0,0|2,0,0]=4 32 B10R1.4 CCNc1ccccc1Br AIFCHEM-94537427481 [1,1,0,0,0,0|2,0,0]=4 33 B10R1.4 CCNc1ccccc1O AIFCHEM-94537427514 [1,1,0,0,0,0|2,0,0]=4 34 B10R1.10 CC=Cc1cc(ccn1)C AIFCHEM-6229029433 [1,1,0,0,0,0|2,0,0]=4 35 B10R1.10 CC=Cc1cc(ccn1)F AIFCHEM-6308154391 [1,1,0,0,0,0|2,0,0]=4 36 B10R1.17 CCCNc1ccccc1 AIFCHEM-94552032560 [1,1,0,0,0,0|1,0,1]=4 37 B10R1.18 CC(=Cc1ccccc1)C AIFCHEM-6323250098 [1,1,0,0,0,0|1,0,0]=3 38 B10R1.18 CC(=Cc1ccncc1)C AIFCHEM-6347813633 [1,1,0,0,0,0|2,0,0]=4 39 B12R1.32 CC#CC(=O)Nc1ccccc1 AIFCHEM-94552045484 [0,1,0,0,0,1|1,0,0]=3 40 B12R1.32 CC#CC(=O)Nc1ccncc1 AIFCHEM-94533902132 [0,1,0,0,0,1|2,0,0]=4 41 B12R1.32 COCC(=O)Nc1ccncc1 AIFCHEM-94533902369 [0,1,0,0,0,1|1,0,0]=3 42 B12R1.32 COCC(=O)Nc1ccncn1 AIFCHEM-6224347880 [0,1,0,0,0,1|2,0,0]=4 43 B12R1.32 COCC(=O)Nc1ccnnc1 AIFCHEM-5598324713 [0,1,0,0,0,1|2,0,0]=4 44 B12R1.32 O=C(CCO)Nc1ccccc1 AIFCHEM-94552044770 [0,1,0,0,0,1|1,0,0]=3 45 B12R1.32 O=C(CCO)Nc1ccncc1 AIFCHEM-94533901418 [0,1,0,0,0,1|2,0,0]=4 46 B12R1.43 CC(C)C(=O)Nc1ccncc1 AIFCHEM-94545049393 [0,1,0,0,0,1|2,0,0]=4 47 B12R1.49 C#CC(=O)Nc1ccc(cc1)Br AIFCHEM-94608726591 [0,1,0,0,0,1|1,0,1]=4 48 B12R1.49 C#CC(=O)Nc1ccc(cc1)Cl AIFCHEM-94586018469 [0,1,0,0,0,1|1,0,1]=4 49 B12R1.49 C#CC(=O)Nc1ccc(cc1)O AIFCHEM-94525200720 [0,1,0,0,0,1|1,0,1]=4 50 B12R1.49 CCC(=O)Nc1ccc(cc1)Cl AIFCHEM-94526499445 [0,1,0,0,0,1|1,0,0]=3 51 B12R1.49 CCC(=O)Nc1ccc(cn1)Br AIFCHEM-94526499500 [0,1,0,0,0,1|2,0,0]=4 52 B12R1.49 CCC(=O)Nc1ccc(cn1)O AIFCHEM-94526508419 [0,1,0,0,0,1|2,0,0]=4 53 B12R1.49 O=C(CO)Nc1ccc(cc1)I AIFCHEM-94532683447 [0,1,0,0,0,1|2,0,0]=4 54 B12R1.49 O=C(CO)Nc1ccc(cc1)O AIFCHEM-94532676141 [0,1,0,0,0,1|2,0,0]=4 55 B12R1.50 C#CC(=O)Nc1cccc(c1)C AIFCHEM-94525191097 [0,1,0,0,0,1|1,0,1]=4 56 B12R1.50 C#CC(=O)Nc1cccc(c1)F AIFCHEM-94579361398 [0,1,0,0,0,1|1,0,1]=4 57 B12R1.50 CCC(=O)Nc1cc(ccn1)I AIFCHEM-94526508375 [0,1,0,0,0,1|2,0,0]=4 58 B12R1.50 CCC(=O)Nc1cccc(c1)C AIFCHEM-94526499544 [0,1,0,0,0,1|1,0,0]=3 59 B12R1.50 CCC(=O)Nc1ccnc(c1)O AIFCHEM-94526506964 [0,1,0,0,0,1|2,0,0]=4 60 B12R1.50 CCC(=O)Nc1cncc(c1)C AIFCHEM-94526506478 [0,1,0,0,0,1|2,0,0]=4 61 B12R1.50 CCC(=O)Nc1cncc(c1)I AIFCHEM-94526505527 [0,1,0,0,0,1|2,0,0]=4 62 B12R1.371 C#CC(=O)Nc1ccccc1I AIFCHEM-94525200532 [0,1,0,0,0,1|1,0,1]=4 63 B12R1.371 CCC(=O)Nc1cccnc1C AIFCHEM-94526506476 [0,1,0,0,0,1|2,0,0]=4 64 B12R1.371 CCC(=O)Nc1ccncc1Br AIFCHEM-94526501822 [0,1,0,0,0,1|2,0,0]=4 65 B12R1.371 CCC(=O)Nc1ccncc1C AIFCHEM-94526504326 [0,1,0,0,0,1|2,0,0]=4 66 B12R1.371 CCC(=O)Nc1ncccc1C AIFCHEM-94526503053 [0,1,0,0,0,1|2,0,0]=4 67 B12R1.371 O=C(CO)Nc1ccccc1I AIFCHEM-94532684184 [0,1,0,0,0,1|2,0,0]=4 68 B12R1.30 CCCNC(=O)c1ccccc1 AIFCHEM-94565582226 [0,2,0,0,0,0|1,0,0]=3 69 B12R1.5 C/C=C(\C)/c1ccc(cc1)SC AIFCHEM-94584209307 [0,2,0,0,0,0|2,0,0]=4 70 B12R1.367 C/C=C(\C)/c1ccc(c(c1)F)F AIFCHEM-94584217608 [0,2,0,0,0,0|2,0,0]=4 71 B12R1.367 C/C=C(\C)/c1ccc(c(c1)N)F AIFCHEM-94584216942 [0,2,0,0,0,0|2,0,0]=4 72 B12R1.367 C/C=C(\C)/c1ccc(c(c1)O)N AIFCHEM-94584218023 [0,2,0,0,0,0|2,0,0]=4 73 B12R1.367 C/C=C(\C)/c1ccc(c(c1)O)O AIFCHEM-94584214301 [0,2,0,0,0,0|2,0,0]=4 74 B12R1.1703 C/C=C(\C)/c1ccc(cc1N)N AIFCHEM-94584220466 [0,2,0,0,0,0|2,0,0]=4 75 B12R1.24 C/C=C(\C)/c1cccc(c1C)O AIFCHEM-94584221859 [0,2,0,0,0,0|2,0,0]=4 76 B12R1.24 C/C=C(\C)/c1cccc(c1O)O AIFCHEM-94584213102 [0,2,0,0,0,0|2,0,0]=4 77 B12R1.354 C/C=C(\C)/c1cc(ccc1F)C AIFCHEM-94584218727 [0,2,0,0,0,0|2,0,0]=4 78 B12R1.354 C/C=C(\C)/c1cc(ccc1F)F AIFCHEM-94584218232 [0,2,0,0,0,0|2,0,0]=4 79 B12R1.354 C/C=C(\C)/c1cc(ccc1N)O AIFCHEM-94584221559 [0,2,0,0,0,0|2,0,0]=4 80 B12R1.354 C/C=C(\C)/c1cc(ccc1O)C AIFCHEM-94584220859 [0,2,0,0,0,0|2,0,0]=4 81 B12R1.354 C/C=C(\C)/c1cc(ccc1O)O AIFCHEM-94584220013 [0,2,0,0,0,0|2,0,0]=4 82 B12R1.358 C/C=C(\C)/c1cc(cc(c1)F)C AIFCHEM-94584215320 [0,2,0,0,0,0|2,0,0]=4 83 B12R1.435 C/C=C(\C)/c1cccc(c1)C#N AIFCHEM-94584221084 [0,2,0,0,0,0|2,0,0]=4 84 B12R1.435 C/C=C(\C)/c1cccc(c1)CO AIFCHEM-94584213716 [0,2,0,0,0,0|2,0,0]=4 85 B12R1.435 C/C=C(\C)/c1cccc(c1)OC AIFCHEM-94584221738 [0,2,0,0,0,0|2,0,0]=4 86 B12R1.77 C/C=C(\C)/c1ccccc1OC AIFCHEM-94584219949 [0,2,0,0,0,0|2,0,0]=4 87 B12R1.3441 C/C=C(\C)/c1c(cccc1O)C AIFCHEM-94584215878 [0,2,0,0,0,0|2,0,0]=4 88 B12R2.2058 C(=C1CCC1)c2ccccc2 AIFCHEM-6322825111 [0,0,0,1,0,1|2,0,0]=4 89 B12R2.2 C1=C(CCC1)c2ccccc2 AIFCHEM-94590916958 [0,1,0,1,0,0|2,0,0]=4 90 B12R2.2 C1=C(COC1)c2ccccc2 AIFCHEM-6345845864 [0,1,0,1,0,0|1,0,0]=3 91 B12R2.2 C1=C(COC1)c2ccccn2 AIFCHEM-6314040887 [0,1,0,1,0,0|2,0,0]=4 92 B12R2.2 c1ccc(cc1)c2ccoc2 AIFCHEM-94590917358 [0,1,0,1,0,0|1,0,1]=4