0 B12R1.279 CC=Cc1cccc(c1)C(C)O AIFCHEM-6406032175 [0,1,0,0,0,0|2,0,1]=4 1 B12R1.279 CC=Cc1cccc(c1)[C@@H](C)O AIFCHEM-6315978601 [0,1,0,0,0,0|2,0,1]=4 2 B12R1.279 CC=Cc1cccc(c1)[C@H](C)O AIFCHEM-6358323213 [0,1,0,0,0,0|2,0,1]=4 3 B12R1.279 CC=Cc1ccnc(c1)C(=O)N AIFCHEM-6328664960 [0,1,0,0,0,0|3,0,0]=4 4 B12R1.279 CCNc1cccc(c1)C(=O)N AIFCHEM-94537420652 [0,1,0,0,0,0|2,0,0]=3 5 B12R1.279 CCNc1cccc(c1)C(C)O AIFCHEM-94537419093 [0,1,0,0,0,0|2,0,1]=4 6 B12R1.279 CCNc1cccc(n1)C(=O)O AIFCHEM-94537418925 [0,1,0,0,0,0|2,0,0]=3 7 B12R1.279 CCNc1ccnc(c1)C(=O)O AIFCHEM-94530500623 [0,1,0,0,0,0|2,0,0]=3 8 B12R1.435 C/C=C(\C)/c1cc(ccn1)OC AIFCHEM-94584223333 [0,1,0,0,0,0|3,0,0]=4 9 B12R1.435 C/C=C(\C)/c1cccc(c1)OC AIFCHEM-94584221738 [0,1,0,0,0,0|2,0,0]=3 10 B12R1.435 C/C=C(\C)/c1cncc(c1)OC AIFCHEM-94584219095 [0,1,0,0,0,0|3,0,0]=4 11 B12R1.438 COc1cc(ccn1)NC(=O)C AIFCHEM-94535593514 [0,0,0,0,0,1|2,0,0]=3 12 B12R1.438 COc1cc(ncn1)NC(=O)C AIFCHEM-6043872137 [0,0,0,0,0,1|3,0,0]=4 13 B12R1.438 CSc1cc(ccn1)NC(=O)C AIFCHEM-94535597846 [0,0,0,0,0,1|2,1,0]=4 14 B12R1.438 CSc1cccc(c1)NC(=O)C AIFCHEM-94535592741 [0,0,0,0,0,1|1,1,0]=3 15 B11R1.189 CC=Cc1cc(ccn1)C=O AIFCHEM-6399062330 [1,1,0,0,0,0|2,0,0]=4 16 B11R1.189 CC=Cc1cccc(c1)C=O AIFCHEM-6307889102 [1,1,0,0,0,0|1,0,0]=3 17 B11R1.189 CC=Cc1cccc(c1)CO AIFCHEM-6418881109 [1,1,0,0,0,0|1,0,1]=4 18 B11R1.189 CC=Cc1cccc(n1)C=O AIFCHEM-6304743052 [1,1,0,0,0,0|2,0,0]=4 19 B11R1.189 CC=Cc1ccnc(c1)C=O AIFCHEM-6203018307 [1,1,0,0,0,0|2,0,0]=4 20 B11R1.189 CC=Cc1ccnc(c1)OC AIFCHEM-6344092018 [1,1,0,0,0,0|2,0,0]=4 21 B11R1.189 CCNc1cccc(c1)OC AIFCHEM-94573851857 [1,1,0,0,0,0|1,0,1]=4 22 B11R1.124 CC=Cc1cc(co1)C(=O)O AIFCHEM-6322307882 [0,1,0,0,1,0|2,0,0]=4 23 B13R1.52 COc1cc(ccc1Br)NC(=O)C AIFCHEM-6215120655 [0,1,0,0,0,1|1,0,0]=3 24 B13R1.52 COc1cc(ccc1N)C=C(C)C AIFCHEM-5750864117 [0,1,0,0,0,1|2,0,0]=4 25 B13R1.52 COc1cc(ncc1I)NC(=O)C AIFCHEM-6077323923 [0,1,0,0,0,1|2,0,0]=4 26 B13R1.56 COc1cc(cc(c1)NC(=O)C)Br AIFCHEM-94605346791 [0,1,0,0,0,1|1,0,0]=3 27 B13R1.56 COc1cc(cc(c1)NC(=O)C)Cl AIFCHEM-6113711985 [0,1,0,0,0,1|1,0,0]=3 28 B13R1.56 COc1cc(cc(n1)NC(=O)C)Cl AIFCHEM-94535590356 [0,1,0,0,0,1|2,0,0]=4 29 B13R1.81 CCC(=O)Nc1cccc(c1)OC AIFCHEM-94526505747 [0,1,0,0,0,1|1,0,0]=3 30 B13R1.81 CCC(=O)Nc1cncc(c1)OC AIFCHEM-94526509323 [0,1,0,0,0,1|2,0,0]=4 31 B13R1.81 CCc1cc(ccn1)NC(=O)CO AIFCHEM-94532683107 [0,1,0,0,0,1|2,0,0]=4 32 B13R1.81 CCc1cccc(c1)NC(=O)CO AIFCHEM-94532683929 [0,1,0,0,0,1|1,0,0]=3 33 B13R1.81 CSc1cccc(c1)NC(=O)CO AIFCHEM-94580164653 [0,1,0,0,0,1|0,1,0]=3 34 B13R1.97 COc1cc(c(cn1)C)NC(=O)C AIFCHEM-5601383113 [0,1,0,0,0,1|2,0,0]=4 35 B13R1.373 CC=Cc1cccc(c1)OC(=O)C AIFCHEM-6324807321 [0,1,0,0,0,1|2,0,0]=4 36 B13R1.587 CC(=O)Nc1cccc(c1)C(=O)C AIFCHEM-5894380099 [0,1,0,0,0,1|2,0,0]=4 37 B13R1.641 COc1cccc(c1Br)NC(=O)C AIFCHEM-94605339514 [0,1,0,0,0,1|1,0,0]=3 38 B13R1.641 COc1cccc(c1F)NC(=O)C AIFCHEM-6276828085 [0,1,0,0,0,1|1,0,0]=3 39 B13R1.31 CC=Cc1cc(cc(n1)C)C(=O)O AIFCHEM-6343108288 [0,2,0,0,0,0|2,0,0]=4 40 B13R1.31 CCNc1cc(cc(c1)C(=O)O)Cl AIFCHEM-94537418532 [0,2,0,0,0,0|1,0,0]=3 41 B13R1.31 CCNc1cc(cc(n1)Cl)C(=O)O AIFCHEM-94537423809 [0,2,0,0,0,0|2,0,0]=4 42 B13R1.31 CCNc1cc(nc(c1)C(=O)O)Cl AIFCHEM-94537422731 [0,2,0,0,0,0|2,0,0]=4 43 B13R1.49 C/C=C(\C)/c1ccc(c(c1)OC)O AIFCHEM-94584221496 [0,2,0,0,0,0|2,0,0]=4 44 B13R1.354 CCNc1cc(ccc1C)C(=O)N AIFCHEM-94537417595 [0,2,0,0,0,0|2,0,0]=4 45 B13R1.354 CCNc1cc(ccc1Cl)C(=O)N AIFCHEM-94532872226 [0,2,0,0,0,0|2,0,0]=4 46 B13R1.354 CCNc1cc(cnc1Cl)C(=O)O AIFCHEM-94537424814 [0,2,0,0,0,0|2,0,0]=4 47 B13R1.543 C/C=C(\C)/c1cccc(c1)C(=O)N AIFCHEM-94584209284 [0,2,0,0,0,0|2,0,0]=4 48 B13R1.543 C/C=C(\C)/c1cncc(c1)C(=O)O AIFCHEM-94584213558 [0,2,0,0,0,0|2,0,0]=4 49 B13R1.374 CC=Cc1cccc(c1)C(=O)NC AIFCHEM-6407067086 [0,2,0,0,0,0|2,0,0]=4 50 B13R1.374 CC=Cc1cccc(n1)C(=O)OC AIFCHEM-6419682069 [0,2,0,0,0,0|2,0,0]=4 51 B13R1.374 CCNc1cc(ccn1)C(=O)OC AIFCHEM-94537424492 [0,2,0,0,0,0|2,0,0]=4 52 B13R1.374 CCNc1cncc(c1)C(=O)OC AIFCHEM-94537420723 [0,2,0,0,0,0|2,0,0]=4 53 B13R1.377 CCNc1cccc(c1Br)C(=O)O AIFCHEM-94537416626 [0,2,0,0,0,0|1,0,0]=3 54 B13R1.377 CCNc1cccc(c1C)C(=O)O AIFCHEM-94537422378 [0,2,0,0,0,0|1,0,0]=3 55 B13R1.387 CC=Cc1ccc(c(c1)C(=O)N)C AIFCHEM-6292096405 [0,2,0,0,0,0|2,0,0]=4 56 B13R1.387 CC=Cc1ccc(c(c1)C(=O)O)C AIFCHEM-6381464262 [0,2,0,0,0,0|1,0,0]=3 57 B13R1.387 CC=Cc1ccc(c(c1)C(=O)O)F AIFCHEM-6351942504 [0,2,0,0,0,0|1,0,0]=3 58 B13R1.387 CCNc1ccc(c(c1)C(=O)O)Cl AIFCHEM-94537426645 [0,2,0,0,0,0|1,0,0]=3 59 B13R1.387 CCNc1ccc(c(c1)C(=O)O)O AIFCHEM-94537426646 [0,2,0,0,0,0|1,0,0]=3 60 B13R1.387 CCNc1cnc(c(c1)C(=O)O)Cl AIFCHEM-94537421604 [0,2,0,0,0,0|2,0,0]=4 61 B13R1.568 CCCNc1cccc(c1)C(=O)O AIFCHEM-94550572309 [0,2,0,0,0,0|1,0,0]=3 62 B13R1.568 CCCNc1cccc(n1)C(=O)O AIFCHEM-94569016008 [0,2,0,0,0,0|2,0,0]=4 63 B13R1.568 O=C(O)c1ccnc(c1)C=CCO AIFCHEM-6296970597 [0,2,0,0,0,0|2,0,0]=4 64 B13R1.568 O=C(O)c1cncc(c1)C=CCO AIFCHEM-6404408240 [0,2,0,0,0,0|2,0,0]=4 65 B13R1.2431 C/C=C(\C)/c1cc(ccc1O)OC AIFCHEM-94584214295 [0,2,0,0,0,0|2,0,0]=4 66 B11R1.157 CC(=O)Nc1cc(ccn1)O AIFCHEM-94605352203 [1,0,0,0,0,1|2,0,0]=4 67 B11R1.157 CC(=O)Nc1cccc(c1)C AIFCHEM-94605355038 [1,0,0,0,0,1|1,0,0]=3 68 B11R1.157 CC(=O)Nc1cccc(c1)F AIFCHEM-94579356885 [1,0,0,0,0,1|2,0,0]=4 69 B11R1.157 CC(=O)Nc1cccc(c1)I AIFCHEM-94605354864 [1,0,0,0,0,1|2,0,0]=4 70 B11R1.157 CC(=O)Nc1cncc(c1)C AIFCHEM-94524195082 [1,0,0,0,0,1|2,0,0]=4