0 B15R2.1601 C/C=C(\C)/c1ccc2cccnc2n1 AIFCHEM-94584220317 [0,1,0,0,0,0|3,0,0]=4 1 B13R1.74 O=C(O)c1ccc(cc1)C=CCO AIFCHEM-6312353296 [0,0,1,0,0,0|2,0,1]=4 2 B13R1.144 CC=Cc1ccc(cc1F)C(=O)N AIFCHEM-6364549693 [0,0,1,0,0,0|2,0,1]=4 3 B13R1.144 CC=Cc1ccc(cc1O)C(=O)N AIFCHEM-6323486425 [0,0,1,0,0,0|2,0,1]=4 4 B13R2.435 CC(=O)N1Cc2ccccc2C1 AIFCHEM-94605352066 [0,0,0,0,1,0|1,0,2]=4 5 B15R2.1668 CC(=Cc1ccc2cccnc2n1)C AIFCHEM-6298117972 [0,0,0,0,0,1|3,0,0]=4 6 B15R2.1668 CC(=O)Nc1ccc2cccnc2n1 AIFCHEM-94605346295 [0,0,0,0,0,1|2,0,0]=3 7 B12R1.270 CC=Cc1cc(ccc1F)C=O AIFCHEM-6201978768 [1,0,1,0,0,0|1,0,1]=4 8 B14R1.6720 CC=Cc1ccc(cc1F)C(=O)NC AIFCHEM-6367807367 [0,1,1,0,0,0|1,0,1]=4 9 B14R1.436 CC=Cc1cc(ccc1C)C(=O)OC AIFCHEM-6342310391 [0,1,1,0,0,0|0,0,2]=4 10 B14R1.780 CNC(=O)c1cccc(c1)C=CCO AIFCHEM-6446609590 [0,1,1,0,0,0|1,0,1]=4 11 B14R2.112 CC=Cc1ccc2ccncc2c1 AIFCHEM-6471266307 [1,1,0,0,0,0|1,0,0]=3 12 B14R2.112 CC=Cc1ccc2cnncc2c1 AIFCHEM-6375150437 [1,1,0,0,0,0|2,0,0]=4 13 B14R2.112 CC=Cc1cnc2ccccc2c1 AIFCHEM-6417161046 [1,1,0,0,0,0|1,0,0]=3 14 B14R2.112 CCNc1cc2ccccc2cn1 AIFCHEM-94537419260 [1,1,0,0,0,0|1,0,1]=4 15 B14R2.95 C/C=C(\C)/c1coc2c1cccc2 AIFCHEM-94584220128 [0,1,0,0,1,0|2,0,0]=4 16 B14R2.966 C/C=C(\C)/c1ccc2cc[nH]c2c1 AIFCHEM-94584219307 [0,1,0,0,1,0|2,0,0]=4 17 B14R2.966 C/C=C(\C)/c1ccc2ccoc2c1 AIFCHEM-94584211937 [0,1,0,0,1,0|2,0,0]=4 18 B14R2.972 C/C=C(\C)/c1cc2ccccc2s1 AIFCHEM-94584217860 [0,1,0,0,1,0|2,0,0]=4 19 B16R2.3989 CC(=Cc1cc2cccnc2cc1C)C AIFCHEM-6444711753 [0,1,0,0,0,1|2,0,0]=4 20 B16R2.3989 CC(=Cc1cc2ncccc2cc1O)C AIFCHEM-6295228502 [0,1,0,0,0,1|2,0,0]=4 21 B16R2.3989 CC(=O)Nc1cc2ccccc2[nH]c1=O AIFCHEM-94605354504 [0,1,0,0,0,1|1,0,0]=3 22 B16R2.3989 CC(=O)Nc1nc2ccccc2cc1C AIFCHEM-94535599254 [0,1,0,0,0,1|1,0,0]=3 23 B16R2.5347 C#CC(=O)Nc1cnc2ccccc2c1 AIFCHEM-94525200203 [0,1,0,0,0,1|1,0,1]=4 24 B16R2.5347 CCN(C)Cc1ccc2ccccc2c1 AIFCHEM-94563259919 [0,1,0,0,0,1|2,0,0]=4 25 B16R2.5347 O=C(CO)Nc1cnc2ccccc2c1 AIFCHEM-94532683855 [0,1,0,0,0,1|1,0,0]=3 26 B16R2.6284 CC(=O)N(C)c1cnc2ccccc2c1 AIFCHEM-94535595568 [0,1,0,0,0,1|1,0,0]=3 27 B16R2.11975 CC(=Cc1cnc2ccc(cc2c1)C)C AIFCHEM-6374091738 [0,1,0,0,0,1|2,0,0]=4 28 B16R2.11975 CC(=O)Nc1ccc2ccc(=O)[nH]c2c1 AIFCHEM-94605354470 [0,1,0,0,0,1|1,0,0]=3 29 B16R2.11975 CC(=O)Nc1ccc2ccc(cc2c1)O AIFCHEM-94535597083 [0,1,0,0,0,1|0,0,0]=2 30 B16R2.11975 CC(=O)Nc1ccc2ccc(cc2n1)Br AIFCHEM-5659392986 [0,1,0,0,0,1|1,0,0]=3 31 B16R2.11988 CC(=Cc1ccc2cc(ccc2c1)O)C AIFCHEM-6394202259 [0,1,0,0,0,1|1,0,0]=3 32 B16R2.11988 CC(=O)Nc1ccc2cc(ccc2c1)Br AIFCHEM-94593191674 [0,1,0,0,0,1|0,0,0]=2 33 B16R2.11988 CC(=O)Nc1ccc2cc(ccc2n1)Br AIFCHEM-5780073651 [0,1,0,0,0,1|1,0,0]=3 34 B16R2.11988 CC(=O)Nc1ccc2nc(cnc2c1)Cl AIFCHEM-5599235290 [0,1,0,0,0,1|2,0,0]=4 35 B16R2.22859 CC(=Cc1cnc2c(cccc2c1)C)C AIFCHEM-6221089502 [0,1,0,0,0,1|2,0,0]=4 36 B16R2.22859 CC(=O)Nc1ccc2c(cccc2c1)O AIFCHEM-94605350651 [0,1,0,0,0,1|0,0,0]=2 37 B16R2.24933 CC(=Cc1cc(c2ccccc2c1)O)C AIFCHEM-6453111564 [0,1,0,0,0,1|1,0,0]=3 38 B16R2.24933 CC(=Cc1cc(c2ccccc2n1)N)C AIFCHEM-6021665642 [0,1,0,0,0,1|2,0,0]=4 39 B16R2.24933 CC(=Cc1cc(c2ncccc2c1)N)C AIFCHEM-94553216318 [0,1,0,0,0,1|2,0,0]=4 40 B16R2.24933 CC(=Cc1cc2ccccc2c(=O)[nH]1)C AIFCHEM-6417480018 [0,1,0,0,0,1|2,0,0]=4 41 B16R2.24933 CC(=Cc1cc2ccccc2c(n1)N)C AIFCHEM-5595773140 [0,1,0,0,0,1|2,0,0]=4 42 B16R2.24933 CC(=O)Nc1cc(c2ccccc2c1)Br AIFCHEM-6205998112 [0,1,0,0,0,1|0,0,0]=2 43 B16R2.24933 CC(=O)Nc1cc2ccccc2c(n1)Br AIFCHEM-94605343469 [0,1,0,0,0,1|1,0,0]=3 44 B16R2.24933 CC(=O)Nc1nc2ccccc2c(=O)[nH]1 AIFCHEM-94535593492 [0,1,0,0,0,1|2,0,0]=4 45 B16R2.83538 CC(=Cc1ccc2ccccc2c1O)C AIFCHEM-6310708979 [0,1,0,0,0,1|1,0,0]=3 46 B16R2.83538 CC(=O)Nc1ccc2ccccc2c1Br AIFCHEM-94535593488 [0,1,0,0,0,1|0,0,0]=2 47 B16R2.83538 CC(=O)Nc1ccc2ncccc2c1F AIFCHEM-94605349465 [0,1,0,0,0,1|1,0,0]=3 48 B16R2.83538 CC(=O)Nc1ccc2nccnc2c1Br AIFCHEM-94605353621 [0,1,0,0,0,1|2,0,0]=4 49 B16R2.83538 CC(=O)Nc1cnc2ccccc2c1Br AIFCHEM-94535595869 [0,1,0,0,0,1|1,0,0]=3 50 B16R2.126902 CC(=Cc1ccc2cccc(c2c1)N)C AIFCHEM-6019359363 [0,1,0,0,0,1|1,0,0]=3 51 B16R2.126902 CC(=Cc1ccc2nccc(c2c1)N)C AIFCHEM-6133282775 [0,1,0,0,0,1|2,0,0]=4 52 B16R2.126902 CC(=Cc1cnc2cccc(c2c1)O)C AIFCHEM-94572677372 [0,1,0,0,0,1|2,0,0]=4 53 B16R2.126902 CC(=O)Nc1ccc2cccc(c2n1)Br AIFCHEM-5878615841 [0,1,0,0,0,1|1,0,0]=3 54 B16R2.126902 CC(=O)Nc1cnc2cccc(c2c1)O AIFCHEM-94535590355 [0,1,0,0,0,1|1,0,0]=3 55 B16R2.1229 C/C=C(\C)/c1ccc2ccccc2c1C AIFCHEM-94584215420 [0,2,0,0,0,0|1,0,0]=3 56 B16R2.1229 C/C=C(\C)/c1cnc2ccccc2c1N AIFCHEM-94584217873 [0,2,0,0,0,0|2,0,0]=4 57 B16R2.33941 C/C=C(\C)/c1cc2cnccc2cc1F AIFCHEM-94584223776 [0,2,0,0,0,0|2,0,0]=4 58 B16R2.33941 C/C=C(\C)/c1cc2ncccc2cc1O AIFCHEM-94584222232 [0,2,0,0,0,0|2,0,0]=4 59 B16R2.442 CCN(CC)c1ccc2ccccc2c1 AIFCHEM-94537420989 [0,2,0,0,0,0|2,0,0]=4 60 B16R2.1205 C/C=C(\C)/c1ccc2ccc(nc2c1)N AIFCHEM-94584210292 [0,2,0,0,0,0|2,0,0]=4 61 B16R2.1212 C/C=C(\C)/c1ccc2cccc(c2c1)C AIFCHEM-94584217399 [0,2,0,0,0,0|1,0,0]=3 62 B16R2.1212 C/C=C(\C)/c1ccc2cccc(c2c1)N AIFCHEM-94584212543 [0,2,0,0,0,0|1,0,0]=3 63 B16R2.1212 C/C=C(\C)/c1ccc2nccc(c2c1)N AIFCHEM-94584220762 [0,2,0,0,0,0|2,0,0]=4 64 B16R2.1212 C/C=C(\C)/c1ccc2occc(=O)c2c1 AIFCHEM-94584219183 [0,2,0,0,0,0|2,0,0]=4 65 B16R2.33799 C/C=C(\C)/c1ccc2cc(cnc2c1)N AIFCHEM-94584211817 [0,2,0,0,0,0|2,0,0]=4 66 B16R2.33799 C/C=C(\C)/c1cnc2cc(ccc2c1)O AIFCHEM-94584210257 [0,2,0,0,0,0|2,0,0]=4 67 B16R2.33887 C/C=C(\C)/c1cc2ccccc2c(=O)[nH]1 AIFCHEM-94584216368 [0,2,0,0,0,0|2,0,0]=4 68 B16R2.173132 C/C=C(\C)/c1cnc2c(cccc2c1)N AIFCHEM-94584212795 [0,2,0,0,0,0|2,0,0]=4 69 B14R2.2 CC(=Cc1csc2c1cccc2)C AIFCHEM-6454978622 [0,0,1,1,0,0|2,0,0]=4 70 B14R2.256 Cc1ccc(s1)c2ccccc2C AIFCHEM-6321559017 [0,0,1,1,0,0|0,1,1]=4 71 B14R2.256 Cc1ccc(s1)c2ccccc2F AIFCHEM-6344155219 [0,0,1,1,0,0|1,1,0]=4 72 B14R2.768 CC(=Cc1cc2ccccc2s1)C AIFCHEM-6367873639 [0,0,1,1,0,0|2,0,0]=4 73 B14R1.68 CC(=O)Nc1ccc(cc1)C=CCO AIFCHEM-6367232544 [0,0,1,0,0,1|1,0,1]=4 74 B14R1.140 CC=Cc1ccc(cc1C)NC(=O)C AIFCHEM-94534874740 [0,0,1,0,0,1|0,0,2]=4 75 B14R1.6449 CC(=O)N(C)C/C=C/c1ccccc1 AIFCHEM-94535599825 [0,0,1,0,0,1|1,0,1]=4 76 B14R1.6449 CC(=O)N(C)CC=Cc1ccccc1 AIFCHEM-5879793677 [0,0,1,0,0,1|1,0,1]=4 77 B14R1.439 CC=Cc1cc(ccc1C)NC(=O)C AIFCHEM-79797969338 [0,0,1,0,0,1|0,0,2]=4 78 B14R1.439 CC=Cc1cc(ccc1F)NC(=O)C AIFCHEM-6479569755 [0,0,1,0,0,1|1,0,1]=4 79 B14R1.439 CC=Cc1cc(ccc1O)NC(=O)C AIFCHEM-92182185137 [0,0,1,0,0,1|1,0,1]=4 80 B14R2.1008 CC(=Cc1ccc2cc[nH]c2c1)C AIFCHEM-6407381338 [0,0,0,0,1,1|2,0,0]=4 81 B14R2.1008 CC(=O)Nc1ccc2[nH]ccc2n1 AIFCHEM-94535402255 [0,0,0,0,1,1|2,0,0]=4 82 B14R2.1008 CC(=O)Nc1ccc2cc[nH]c2n1 AIFCHEM-94605345375 [0,0,0,0,1,1|2,0,0]=4 83 B14R2.1008 CC(=O)Nc1ccc2ccsc2c1 AIFCHEM-94605353945 [0,0,0,0,1,1|1,0,0]=3 84 B14R2.1008 CC(=O)Nc1ccc2nc[nH]c2c1 AIFCHEM-5889519533 [0,0,0,0,1,1|2,0,0]=4 85 B14R2.1008 CC(=O)Nc1ccc2occc2c1 AIFCHEM-94535597791 [0,0,0,0,1,1|1,0,0]=3 86 B14R2.1008 CC(=O)Nc1ccc2oncc2c1 AIFCHEM-5709770395 [0,0,0,0,1,1|2,0,0]=4 87 B16R2.477 CC(=O)NCc1ccc2ccccc2n1 AIFCHEM-94605356783 [0,0,0,0,0,2|1,0,0]=3 88 B16R2.477 CC(=O)NCc1ccc2cccnc2c1 AIFCHEM-94605350971 [0,0,0,0,0,2|1,0,0]=3