0 B12R1.270 CC=Cc1cc(ccc1F)C=O AIFCHEM-6201978768 [0,0,0,0,0,0|2,0,1]=3 1 B12R1.270 CC=Cc1cc(ccc1O)CC AIFCHEM-6387526475 [0,0,0,0,0,0|2,0,2]=4 2 B12R1.270 CC=Cc1cc(ccc1O)OC AIFCHEM-6347348005 [0,0,0,0,0,0|3,0,1]=4 3 B12R1.270 CC=Cc1cc(ncc1C)C=O AIFCHEM-6343846439 [0,0,0,0,0,0|3,0,1]=4 4 B12R1.270 CCNc1cc(ccc1Br)C#N AIFCHEM-94537424824 [0,0,0,0,0,0|3,0,1]=4 5 B12R1.270 CCNc1cc(ccc1Cl)OC AIFCHEM-94568718158 [0,0,0,0,0,0|4,0,0]=4 6 B12R1.270 CCNc1cc(ccc1F)OC AIFCHEM-94537423653 [0,0,0,0,0,0|4,0,0]=4 7 B12R1.270 CCNc1cc(ccc1O)C#N AIFCHEM-94537415604 [0,0,0,0,0,0|2,0,1]=3 8 B11R1.182 CCNc1cc(ccc1Br)F AIFCHEM-94537411223 [1,0,0,0,0,0|3,0,0]=4 9 B11R1.182 CCNc1cc(ccc1Br)O AIFCHEM-94537411237 [1,0,0,0,0,0|2,0,1]=4 10 B11R1.182 CCNc1cc(ccc1C)O AIFCHEM-94537419711 [1,0,0,0,0,0|2,0,1]=4 11 B11R1.182 CCNc1cc(ccc1Cl)Br AIFCHEM-94537423469 [1,0,0,0,0,0|3,0,0]=4 12 B11R1.182 CCNc1cc(ccc1Cl)Cl AIFCHEM-94586538814 [1,0,0,0,0,0|3,0,0]=4 13 B11R1.182 CCNc1cc(ccc1I)C AIFCHEM-94537414464 [1,0,0,0,0,0|2,0,1]=4 14 B11R1.189 CC=Cc1cc(ccn1)C=O AIFCHEM-6399062330 [1,0,0,0,0,0|2,0,1]=4 15 B11R1.189 CC=Cc1cccc(c1)C=O AIFCHEM-6307889102 [1,0,0,0,0,0|1,0,1]=3 16 B11R1.189 CC=Cc1cccc(n1)C=O AIFCHEM-6304743052 [1,0,0,0,0,0|2,0,1]=4 17 B11R1.189 CC=Cc1ccnc(c1)C=O AIFCHEM-6203018307 [1,0,0,0,0,0|2,0,1]=4 18 B11R1.189 CCNc1cccc(c1)OC AIFCHEM-94573851857 [1,0,0,0,0,0|3,0,0]=4 19 B13R1.354 CCNc1cc(ccc1C)C(=O)N AIFCHEM-94537417595 [0,1,0,0,0,0|2,0,0]=3 20 B13R1.354 CCNc1cc(ccc1Cl)C(=O)N AIFCHEM-94532872226 [0,1,0,0,0,0|2,0,0]=3 21 B13R1.354 CCNc1cc(cnc1Cl)C(=O)O AIFCHEM-94537424814 [0,1,0,0,0,0|3,0,0]=4 22 B13R1.355 CC=Cc1cc(ncc1OC)C=O AIFCHEM-6317568504 [0,1,0,0,0,0|2,0,1]=4 23 B13R1.384 CC=Cc1ccc(c(c1)CNC)O AIFCHEM-6005260118 [0,1,0,0,0,0|3,0,0]=4 24 B13R1.2431 C/C=C(\C)/c1cc(ccc1O)C=O AIFCHEM-94584220203 [0,1,0,0,0,0|1,0,1]=3 25 B13R1.3981 CC=Cc1cc(cc(c1C)F)C=O AIFCHEM-6301350819 [0,1,0,0,0,0|2,0,1]=4 26 B13R1.3981 CC=Cc1cc(cc(c1F)F)C=O AIFCHEM-6443555208 [0,1,0,0,0,0|2,0,1]=4 27 B13R1.3981 CC=Cc1cc(cc(c1O)O)C=O AIFCHEM-6382183601 [0,1,0,0,0,0|1,0,1]=3 28 B13R1.3981 CCNc1cc(cc(c1O)Br)OC AIFCHEM-94537418061 [0,1,0,0,0,0|3,0,0]=4 29 B13R1.4021 CC=Cc1c(ccc(c1F)C=O)F AIFCHEM-6446558857 [0,1,0,0,0,0|2,0,1]=4 30 B10R1.4 CCNc1ccccc1Br AIFCHEM-94537427481 [2,0,0,0,0,0|2,0,0]=4 31 B10R1.4 CCNc1ccccc1O AIFCHEM-94537427514 [2,0,0,0,0,0|1,0,0]=3 32 B12R1.268 CCNc1cc(ccc1OC)F AIFCHEM-94537417734 [1,1,0,0,0,0|2,0,0]=4 33 B12R1.374 CCCNc1cc(ccc1O)Br AIFCHEM-94569018465 [1,1,0,0,0,0|2,0,0]=4 34 B12R1.374 CCCNc1cc(ccc1O)O AIFCHEM-94569015160 [1,1,0,0,0,0|1,0,1]=4 35 B12R1.374 CCNCc1cc(ccc1O)Br AIFCHEM-94537417084 [1,1,0,0,0,0|2,0,0]=4 36 B12R1.374 CCNCc1cc(ccc1O)C AIFCHEM-94577948395 [1,1,0,0,0,0|1,0,1]=4 37 B12R1.374 CCNCc1cc(ccc1O)Cl AIFCHEM-94537421158 [1,1,0,0,0,0|2,0,0]=4 38 B12R1.374 CCNCc1cc(ccc1O)F AIFCHEM-94537412553 [1,1,0,0,0,0|2,0,0]=4 39 B12R1.1123 CCNc1cc(c(cc1O)Cl)Br AIFCHEM-94537411652 [1,1,0,0,0,0|2,0,0]=4 40 B12R1.1123 CCNc1cc(c(cc1O)Cl)Cl AIFCHEM-94537419728 [1,1,0,0,0,0|2,0,0]=4 41 B12R1.278 CC=Cc1cccc(c1)SCC AIFCHEM-6344730616 [1,1,0,0,0,0|1,1,0]=4 42 B12R1.279 CCNc1cccc(c1)C(=O)N AIFCHEM-94537420652 [1,1,0,0,0,0|1,0,0]=3 43 B12R1.279 CCNc1cccc(n1)C(=O)O AIFCHEM-94537418925 [1,1,0,0,0,0|2,0,0]=4 44 B12R1.279 CCNc1ccnc(c1)C(=O)O AIFCHEM-94530500623 [1,1,0,0,0,0|2,0,0]=4 45 B12R1.280 CC=Cc1cccc(c1F)C=O AIFCHEM-6317685631 [1,1,0,0,0,0|1,0,1]=4 46 B12R1.280 CC=Cc1cccc(c1O)C=O AIFCHEM-6338974488 [1,1,0,0,0,0|1,0,1]=4 47 B14R1.489 CC=Cc1ccc(c(c1)OC(C)C)C AIFCHEM-6303478430 [0,2,0,0,0,0|2,0,0]=4 48 B14R1.436 C/C=C(\C)/c1ccc(c(c1)OCC)C AIFCHEM-94584222712 [0,2,0,0,0,0|2,0,0]=4 49 B14R1.436 CCNc1cc(ccc1Cl)C(=O)OC AIFCHEM-94537421376 [0,2,0,0,0,0|2,0,0]=4 50 B14R1.436 CCNc1cc(ccc1I)C(=O)OC AIFCHEM-94537421425 [0,2,0,0,0,0|2,0,0]=4 51 B14R1.437 CCNc1cc(ccc1O)S(=O)(=O)N AIFCHEM-94537427700 [0,2,0,0,0,0|2,0,0]=4 52 B14R1.441 CCNc1cc(ccc1C#N)C(=O)O AIFCHEM-94537416221 [0,2,0,0,0,0|2,0,0]=4 53 B14R1.441 CCNc1cc(ccc1CC)C(=O)O AIFCHEM-94537422277 [0,2,0,0,0,0|2,0,0]=4 54 B14R1.758 CCCNc1cc(ccc1C)C(=O)O AIFCHEM-94569016190 [0,2,0,0,0,0|2,0,0]=4 55 B14R1.3329 CCNc1cc(c(cc1C)Br)C(=O)O AIFCHEM-94537425027 [0,2,0,0,0,0|2,0,0]=4 56 B14R1.3329 CCNc1cc(c(cc1F)Cl)C(=O)O AIFCHEM-94537416728 [0,2,0,0,0,0|2,0,0]=4 57 B14R1.5293 CC=Cc1cc(cc(c1O)O)C(=O)O AIFCHEM-6411560739 [0,2,0,0,0,0|1,0,1]=4 58 B14R1.5236 CC=Cc1ccc(cc1OCC)C=O AIFCHEM-6302870549 [0,2,0,0,0,0|1,0,0]=3 59 B14R1.439 CC=Cc1cc(ccc1O)NC(=O)C AIFCHEM-92182185137 [0,2,0,0,0,0|1,0,1]=4 60 B14R1.761 CC=Cc1ccc(c(c1)CNCC)O AIFCHEM-6158486962 [0,2,0,0,0,0|2,0,0]=4 61 B14R1.885 CCOC=Cc1cc(ccc1C)C=O AIFCHEM-94580723121 [0,2,0,0,0,0|1,0,0]=3 62 B14R1.885 CCOC=Cc1cc(ccc1O)CC AIFCHEM-6402778607 [0,2,0,0,0,0|1,0,1]=4 63 B14R1.885 CCOC=Cc1cc(ccc1O)OC AIFCHEM-6308835002 [0,2,0,0,0,0|2,0,0]=4 64 B14R1.885 COCC=Cc1cc(ccc1C)C=O AIFCHEM-6389856321 [0,2,0,0,0,0|2,0,0]=4 65 B14R1.2335 Cc1ccc(cc1C=CC(C)O)C=O AIFCHEM-6389051566 [0,2,0,0,0,0|2,0,0]=4 66 B14R1.7444 O=Cc1cc(c(c(c1)C=CCO)O)O AIFCHEM-6310010276 [0,2,0,0,0,0|1,0,1]=4 67 B14R1.562 C/C=C(\C)/c1cc(cc(c1O)O)C=O AIFCHEM-94584213976 [0,2,0,0,0,0|1,0,1]=4 68 B12R1.267 CCOC=Cc1ccc[nH]c1=O AIFCHEM-6368439997 [0,0,1,1,0,0|1,0,0]=3 69 B12R1.267 CCOC=Cc1ccccc1C AIFCHEM-94536265848 [0,0,1,1,0,0|2,0,0]=4 70 B14R2.112 CCNc1ccc2c(c1)OCCO2 AIFCHEM-94537418552 [0,1,0,1,0,0|1,0,1]=4 71 B14R2.583 CCNc1cc2cn[nH]c2cc1O AIFCHEM-94537416919 [0,1,0,1,0,0|2,0,0]=4