0 B11R1.22 C/C=C(\C)/c1ccc(cc1)C AIFCHEM-94584220431 [0,1,0,0,0,0|2,0,0]=3 1 B11R1.22 C/C=C(\C)/c1ccc(nc1)O AIFCHEM-94584212304 [0,1,0,0,0,0|2,0,0]=3 2 B11R1.22 C/C=C(\C)/c1cnc(cn1)O AIFCHEM-94584217910 [0,1,0,0,0,0|3,0,0]=4 3 B11R1.22 CCN(C)c1ccc(cc1)Br AIFCHEM-94537424462 [0,1,0,0,0,0|3,0,0]=4 4 B11R1.22 CCN(C)c1ccc(cc1)C AIFCHEM-94537423659 [0,1,0,0,0,0|3,0,0]=4 5 B11R1.22 CCN(C)c1ccc(cc1)I AIFCHEM-94568454920 [0,1,0,0,0,0|3,0,0]=4 6 B11R1.22 CCN(C)c1ccc(cc1)O AIFCHEM-94520567749 [0,1,0,0,0,0|2,0,0]=3 7 B11R1.20 CC(=Cc1cnc(cn1)O)C AIFCHEM-6324170057 [0,0,0,0,0,1|3,0,0]=4 8 B11R1.20 CC(=O)Nc1ccc(cn1)C AIFCHEM-5874295902 [0,0,0,0,0,1|2,0,0]=3 9 B11R1.20 CC(=O)Nc1cnc(nc1)C AIFCHEM-94535596160 [0,0,0,0,0,1|3,0,0]=4 10 B10R1.1 CC=Cc1ccc(cc1)N AIFCHEM-94608719473 [1,1,0,0,0,0|1,0,0]=3 11 B10R1.1 CC=Cc1ccc(cn1)F AIFCHEM-6302156631 [1,1,0,0,0,0|2,0,0]=4 12 B10R1.1 CCNc1ccc(cc1)C AIFCHEM-94537411875 [1,1,0,0,0,0|1,0,1]=4 13 B10R1.1 CCNc1ccc(nc1)O AIFCHEM-94537412774 [1,1,0,0,0,0|1,0,1]=4 14 B10R1.15 C/C=C(\C)/c1ccccn1 AIFCHEM-94584209692 [1,1,0,0,0,0|2,0,0]=4 15 B12R1.4 CC(=Cc1ccc(cn1)CO)C AIFCHEM-6343205241 [0,1,0,0,0,1|2,0,0]=4 16 B12R1.4 CCc1ccc(cc1)C=C(C)C AIFCHEM-6310436895 [0,1,0,0,0,1|2,0,0]=4 17 B12R1.4 COc1ccc(cn1)NC(=O)C AIFCHEM-5666168071 [0,1,0,0,0,1|1,0,0]=3 18 B12R1.4 COc1ccc(nc1)NC(=O)C AIFCHEM-94535588104 [0,1,0,0,0,1|1,0,0]=3 19 B12R1.4 COc1cnc(cn1)NC(=O)C AIFCHEM-94605354024 [0,1,0,0,0,1|2,0,0]=4 20 B12R1.4 CSc1ccc(cc1)C=C(C)C AIFCHEM-6350061194 [0,1,0,0,0,1|1,1,0]=4 21 B12R1.19 CC(=Cc1cc(c(cn1)O)N)C AIFCHEM-6469930663 [0,1,0,0,0,1|2,0,0]=4 22 B12R1.19 CC(=Cc1ccc(c(c1)N)N)C AIFCHEM-6298159563 [0,1,0,0,0,1|2,0,0]=4 23 B12R1.19 CC(=Cc1ccc(c(c1)O)O)C AIFCHEM-6398326996 [0,1,0,0,0,1|1,0,0]=3 24 B12R1.19 CC(=O)Nc1cc(c(cn1)Br)Br AIFCHEM-94605356739 [0,1,0,0,0,1|2,0,0]=4 25 B12R1.19 CC(=O)Nc1cc(c(cn1)Br)Cl AIFCHEM-94535601192 [0,1,0,0,0,1|2,0,0]=4 26 B12R1.19 CC(=O)Nc1cc(c(cn1)F)F AIFCHEM-94605341730 [0,1,0,0,0,1|2,0,0]=4 27 B12R1.19 CC(=O)Nc1ccc(c(c1)C)Br AIFCHEM-5608066263 [0,1,0,0,0,1|1,0,0]=3 28 B12R1.19 CC(=O)Nc1ccc(c(c1)C)O AIFCHEM-94527206242 [0,1,0,0,0,1|0,0,0]=2 29 B12R1.19 CC(=O)Nc1ccc(c(c1)Cl)Br AIFCHEM-6168829856 [0,1,0,0,0,1|1,0,0]=3 30 B12R1.19 CC(=O)Nc1ccc(c(c1)Cl)F AIFCHEM-94535595851 [0,1,0,0,0,1|1,0,0]=3 31 B12R1.19 CC(=O)Nc1ccc(c(c1)F)I AIFCHEM-94605355198 [0,1,0,0,0,1|1,0,0]=3 32 B12R1.19 CC(=O)Nc1ccc(c(c1)I)Cl AIFCHEM-6020088654 [0,1,0,0,0,1|1,0,0]=3 33 B12R1.19 CC(=O)Nc1ccc(c(c1)I)O AIFCHEM-94605357326 [0,1,0,0,0,1|0,0,0]=2 34 B12R1.19 CC(=O)Nc1ccc(c(c1)O)O AIFCHEM-94535592055 [0,1,0,0,0,1|0,0,0]=2 35 B12R1.19 CC(=O)Nc1ccc(c(n1)C)I AIFCHEM-94605355975 [0,1,0,0,0,1|2,0,0]=4 36 B12R1.19 CC(=O)Nc1ccn(c(=O)c1)C AIFCHEM-94605344697 [0,1,0,0,0,1|2,0,0]=4 37 B12R1.19 CC(=O)Nc1cnc(c(c1)Cl)C AIFCHEM-94535600626 [0,1,0,0,0,1|2,0,0]=4 38 B12R1.20 CC(=O)N(C)c1ccc(cc1)I AIFCHEM-5731761315 [0,1,0,0,0,1|1,0,0]=3 39 B12R1.20 CC(=O)N(C)c1ccc(nc1)C AIFCHEM-5897531248 [0,1,0,0,0,1|2,0,0]=4 40 B12R1.49 C#CC(=O)Nc1ccc(cc1)Br AIFCHEM-94608726591 [0,1,0,0,0,1|1,0,1]=4 41 B12R1.49 C#CC(=O)Nc1ccc(cc1)Cl AIFCHEM-94586018469 [0,1,0,0,0,1|1,0,1]=4 42 B12R1.49 C#CC(=O)Nc1ccc(cc1)O AIFCHEM-94525200720 [0,1,0,0,0,1|0,0,1]=3 43 B12R1.49 CCC(=O)Nc1ccc(cc1)Cl AIFCHEM-94526499445 [0,1,0,0,0,1|1,0,0]=3 44 B12R1.49 CCC(=O)Nc1ccc(cn1)Br AIFCHEM-94526499500 [0,1,0,0,0,1|2,0,0]=4 45 B12R1.49 CCC(=O)Nc1ccc(cn1)O AIFCHEM-94526508419 [0,1,0,0,0,1|1,0,0]=3 46 B12R1.49 O=C(CO)Nc1ccc(cc1)I AIFCHEM-94532683447 [0,1,0,0,0,1|1,0,0]=3 47 B12R1.49 O=C(CO)Nc1ccc(cc1)O AIFCHEM-94532676141 [0,1,0,0,0,1|0,0,0]=2 48 B12R1.233 CC(=Cc1ccc(cc1C)N)C AIFCHEM-5668076152 [0,1,0,0,0,1|2,0,0]=4 49 B12R1.233 CC(=O)Nc1ccc(cc1Br)Br AIFCHEM-94544669425 [0,1,0,0,0,1|1,0,0]=3 50 B12R1.233 CC(=O)Nc1ccc(cc1Br)I AIFCHEM-6165339609 [0,1,0,0,0,1|1,0,0]=3 51 B12R1.233 CC(=O)Nc1ccc(cc1C)I AIFCHEM-6211268315 [0,1,0,0,0,1|1,0,0]=3 52 B12R1.233 CC(=O)Nc1ccc(cc1Cl)O AIFCHEM-94588750029 [0,1,0,0,0,1|0,0,0]=2 53 B12R1.233 CC(=O)Nc1ccc(cc1F)Br AIFCHEM-94536063608 [0,1,0,0,0,1|1,0,0]=3 54 B12R1.233 CC(=O)Nc1ccc(cc1F)O AIFCHEM-94576186146 [0,1,0,0,0,1|0,0,0]=2 55 B12R1.233 CC(=O)Nc1ccc(cc1I)Br AIFCHEM-6059213040 [0,1,0,0,0,1|1,0,0]=3 56 B12R1.233 CC(=O)Nc1ccc(cc1O)Cl AIFCHEM-94605351667 [0,1,0,0,0,1|1,0,0]=3 57 B12R1.233 CC(=O)Nc1ncc(cc1F)Br AIFCHEM-94535599263 [0,1,0,0,0,1|2,0,0]=4 58 B12R1.5 C/C=C(\C)/c1ccc(cc1)SC AIFCHEM-94584209307 [0,2,0,0,0,0|1,1,0]=4 59 B12R1.5 CCN(C)c1ccc(cc1)OC AIFCHEM-94537411832 [0,2,0,0,0,0|2,0,0]=4 60 B12R1.367 C/C=C(\C)/c1ccc(c(c1)F)F AIFCHEM-94584217608 [0,2,0,0,0,0|2,0,0]=4 61 B12R1.367 C/C=C(\C)/c1ccc(c(c1)N)F AIFCHEM-94584216942 [0,2,0,0,0,0|2,0,0]=4 62 B12R1.367 C/C=C(\C)/c1ccc(c(c1)O)N AIFCHEM-94584218023 [0,2,0,0,0,0|2,0,0]=4 63 B12R1.367 C/C=C(\C)/c1ccc(c(c1)O)O AIFCHEM-94584214301 [0,2,0,0,0,0|1,0,0]=3 64 B12R1.16 CCN[C@@H](C)c1ccc(cc1)O AIFCHEM-94537411195 [0,2,0,0,0,0|1,0,1]=4 65 B12R1.16 CCN[C@H](C)c1ccc(cc1)O AIFCHEM-94537418040 [0,2,0,0,0,0|1,0,1]=4 66 B12R1.1703 C/C=C(\C)/c1ccc(cc1N)N AIFCHEM-94584220466 [0,2,0,0,0,0|2,0,0]=4 67 B12R1.1703 C/C=C(\C)/c1cnc(cc1F)O AIFCHEM-94584214613 [0,2,0,0,0,0|2,0,0]=4 68 B12R1.1703 C/C=C(\C)/c1ncc(cc1C)O AIFCHEM-94584208856 [0,2,0,0,0,0|2,0,0]=4 69 B10R1.18 CC(=Cc1ccccc1)C AIFCHEM-6323250098 [1,0,0,0,0,1|1,0,0]=3 70 B10R1.18 CC(=Cc1ccncc1)C AIFCHEM-6347813633 [1,0,0,0,0,1|2,0,0]=4 71 B10R1.18 CC(=O)Nc1cccnn1 AIFCHEM-5873465756 [1,0,0,0,0,1|2,0,0]=4 72 B10R1.18 CC(=O)Nc1ccncc1 AIFCHEM-94535587956 [1,0,0,0,0,1|1,0,0]=3 73 B10R1.18 CC(=O)Nc1ccnnc1 AIFCHEM-5598224670 [1,0,0,0,0,1|2,0,0]=4 74 B10R1.18 CC(=O)Nc1cncnc1 AIFCHEM-94605354528 [1,0,0,0,0,1|2,0,0]=4 75 B12R1.21 CC(O)C=Cc1ccc(cc1)O AIFCHEM-94601033022 [0,0,0,0,0,2|0,0,2]=4