0 B11R1.40 CC(CN)CC1=CC=CC=C1 PKCBB_01018 [0,0,0,0,0,0|2,0,0]=2 1 B10R1.17 NCCCC1=CC=CC=C1 PKCBB_01019 [1,0,0,0,0,0|2,0,0]=3 2 B10R1.17 NCCOC1=CC=CC=C1 PKCBB_01017 [1,0,0,0,0,0|3,0,0]=4 3 B10R1.18 NC(=S)CC1=CC=NC=C1 PKCBB_00528 [1,0,0,0,0,0|2,0,1]=4 4 B12R1.49 CC(CN)CC1=CC=C(Br)C=C1 PKCBB_02259 [0,1,0,0,0,0|2,0,0]=3 5 B12R1.49 CC(CN)CC1=CC=C(Cl)C=C1 PKCBB_00844 [0,1,0,0,0,0|2,0,0]=3 6 B12R1.49 CC(CN)CC1=CC=C(F)C=C1 PKCBB_00430 [0,1,0,0,0,0|2,0,0]=3 7 B12R1.49 CC1=CC=C(CC(C)CN)C=C1 PKCBB_00989 [0,1,0,0,0,0|2,0,0]=3 8 B12R1.49 CNC(=S)NC1=CC=C(C)C=C1 ASIS-0182 [0,1,0,0,0,0|2,0,1]=4 9 B12R1.50 CC(CN)CC1=CC(Cl)=CC=C1 PKCBB_01860 [0,1,0,0,0,0|2,0,0]=3 10 B12R1.50 CC1=CC=CC(CC(C)CN)=C1 PKCBB_00969 [0,1,0,0,0,0|2,0,0]=3 11 B12R1.371 CC(CN)CC1=C(Cl)C=CC=C1 PKCBB_00895 [0,1,0,0,0,0|2,0,0]=3 12 B12R1.371 CC(CN)CC1=C(F)C=CC=C1 PKCBB_00906 [0,1,0,0,0,0|2,0,0]=3 13 B12R1.371 CC(CN)CC1=CC=CC=C1Br PKCBB_00265 [0,1,0,0,0,0|2,0,0]=3 14 B12R1.371 CC1=C(CC(C)CN)C=CC=C1 PKCBB_01009 [0,1,0,0,0,0|2,0,0]=3 15 B10R1.15 CC(C#N)C1=CC=CN=C1 PKCBB_02050 [0,0,0,0,1,0|3,0,0]=4 16 B10R1.15 CC(C#N)C1=CC=NC=C1 PKCBB_02055 [0,0,0,0,1,0|3,0,0]=4 17 B10R1.15 CC(C#N)C1=NC=CC=C1 PKCBB_02012 [0,0,0,0,1,0|3,0,0]=4 18 B10R1.15 CC(CN)C1=CC=CC=C1 PKCBB_01020 [0,0,0,0,1,0|2,0,0]=3 19 B10R1.15 CC(ON)C1=CC=NC=C1 PKCBB_02057 [0,0,0,0,1,0|3,0,0]=4 20 B10R1.15 CC(ON)C1=NC=CC=C1 PKCBB_02047 [0,0,0,0,1,0|3,0,0]=4 21 B10R1.15 CCC(N)C1=CC=CC=C1 PKCBB_01016 [0,0,0,0,1,0|2,0,0]=3 22 B9R1.8 NCCC1=CC=CC=C1 PKCBB_01021 [2,0,0,0,0,0|0,0,0]=2 23 B9R1.8 NOCC1=CC=CN=C1 PKCBB_02049 [2,0,0,0,0,0|2,0,0]=4 24 B9R1.8 NOCC1=CC=NC=C1 PKCBB_02054 [2,0,0,0,0,0|2,0,0]=4 25 B9R1.8 NOCC1=NC=CC=C1 PKCBB_02006 [2,0,0,0,0,0|2,0,0]=4 26 B11R1.1 CC1=CC=C(CCCN)C=C1 PKCBB_00990 [1,1,0,0,0,0|2,0,0]=4 27 B11R1.1 NCCCC1=CC=C(Br)C=C1 PKCBB_02252 [1,1,0,0,0,0|2,0,0]=4 28 B11R1.1 NCCCC1=CC=C(Cl)C=C1 PKCBB_00843 [1,1,0,0,0,0|2,0,0]=4 29 B11R1.1 NCCCC1=CC=C(F)C=C1 PKCBB_00925 [1,1,0,0,0,0|2,0,0]=4 30 B11R1.16 CCCC(N)C1=CC=CC=C1 PKCBB_02563 [1,1,0,0,0,0|1,0,0]=3 31 B11R1.17 CC1=C(CCCN)C=CC=C1 PKCBB_01010 [1,1,0,0,0,0|2,0,0]=4 32 B11R1.17 NCCCC1=C(Br)C=CC=C1 PKCBB_00469 [1,1,0,0,0,0|2,0,0]=4 33 B11R1.17 NCCCC1=C(Cl)C=CC=C1 PKCBB_00896 [1,1,0,0,0,0|2,0,0]=4 34 B11R1.17 NCCCC1=C(F)C=CC=C1 PKCBB_00905 [1,1,0,0,0,0|2,0,0]=4 35 B11R1.24 CC1=CC=CC(CCCN)=C1 PKCBB_00968 [1,1,0,0,0,0|2,0,0]=4 36 B11R1.24 NCCCC1=CC(Cl)=CC=C1 PKCBB_00886 [1,1,0,0,0,0|2,0,0]=4 37 B11R1.28 NCCOCC1=CC=CC=C1 PKCBB_01008 [1,1,0,0,0,0|2,0,0]=4 38 B11R1.91 CC(=O)CCC1=CC=CN=C1 PKCBB_01995 [1,1,0,0,0,0|2,0,0]=4 39 B11R1.91 CC(=O)CCC1=CC=NC=C1 PKCBB_02052 [1,1,0,0,0,0|2,0,0]=4 40 B11R1.91 CC(=O)CCC1=NC=CC=C1 PKCBB_01993 [1,1,0,0,0,0|2,0,0]=4 41 B11R1.91 CC(N)CCC1=CC=CC=C1 PKCBB_00276 [1,1,0,0,0,0|1,0,0]=3 42 B11R1.36 CC(C)C(N)C1=CC=CC=C1 PKCBB_00266 [1,1,0,0,0,0|0,0,0]=2 43 B11R1.7 CC(C)(C=O)C1=CC=CC=C1 PKCBB_01253 [0,1,0,0,1,0|2,0,0]=4 44 B11R1.7 CC(C)(CN)C1=CC=CC=C1 PKCBB_02548 [0,1,0,0,1,0|2,0,0]=4 45 B11R1.22 CC(CN)C1=CC=C(Br)C=C1 PKCBB_02262 [0,1,0,0,1,0|2,0,0]=4 46 B11R1.22 CC(CN)C1=CC=C(Cl)C=C1 PKCBB_02544 [0,1,0,0,1,0|2,0,0]=4 47 B11R1.22 CC(CN)C1=CC=C(F)C=C1 PKCBB_00927 [0,1,0,0,1,0|2,0,0]=4 48 B11R1.22 CC1=CC=C(C(C)CN)C=C1 PKCBB_01661 [0,1,0,0,1,0|2,0,0]=4 49 B11R1.22 CCC(N)C1=CC=C(Br)C=C1 PKCBB_02266 [0,1,0,0,1,0|2,0,0]=4 50 B11R1.22 CCC(N)C1=CC=C(C)C=C1 PKCBB_00983 [0,1,0,0,1,0|2,0,0]=4 51 B11R1.22 CCC(N)C1=CC=C(Cl)C=C1 PKCBB_00210 [0,1,0,0,1,0|2,0,0]=4 52 B11R1.22 CCC(N)C1=CC=C(F)C=C1 PKCBB_00921 [0,1,0,0,1,0|2,0,0]=4 53 B11R1.23 CC(CN)C1=CC(Cl)=CC=C1 PKCBB_02068 [0,1,0,0,1,0|2,0,0]=4 54 B11R1.23 CC1=CC=CC(C(C)CN)=C1 PKCBB_01673 [0,1,0,0,1,0|2,0,0]=4 55 B11R1.23 CCC(N)C1=CC(C)=CC=C1 PKCBB_01665 [0,1,0,0,1,0|2,0,0]=4 56 B11R1.23 CCC(N)C1=CC(Cl)=CC=C1 PKCBB_00889 [0,1,0,0,1,0|2,0,0]=4 57 B11R1.222 CC(C#N)C1=CC=CC=C1Br PKCBB_00293 [0,1,0,0,1,0|2,0,0]=4 58 B11R1.222 CC(CN)C1=C(Br)C=CC=C1 PKCBB_00466 [0,1,0,0,1,0|2,0,0]=4 59 B11R1.222 CC(CN)C1=C(Cl)C=CC=C1 PKCBB_02546 [0,1,0,0,1,0|2,0,0]=4 60 B11R1.222 CC(CN)C1=C(F)C=CC=C1 PKCBB_00903 [0,1,0,0,1,0|2,0,0]=4 61 B11R1.222 CC1=C(C(C)CN)C=CC=C1 PKCBB_01667 [0,1,0,0,1,0|2,0,0]=4 62 B11R1.222 CCC(N)C1=C(Br)C=CC=C1 PKCBB_00472 [0,1,0,0,1,0|2,0,0]=4 63 B11R1.222 CCC(N)C1=C(C)C=CC=C1 PKCBB_01669 [0,1,0,0,1,0|2,0,0]=4 64 B11R1.222 CCC(N)C1=C(Cl)C=CC=C1 PKCBB_02538 [0,1,0,0,1,0|2,0,0]=4 65 B11R1.222 CCC(N)C1=C(F)C=CC=C1 PKCBB_00929 [0,1,0,0,1,0|2,0,0]=4 66 B13R1.417 ClCC(CBr)OCC1=CC=CC=C1 ASIS-0157 [0,1,0,0,0,1|2,0,0]=4 67 B13R1.5 COC1=CC=C(CC(C)CN)C=C1 PKCBB_00879 [0,2,0,0,0,0|2,0,0]=4 68 B13R1.2679 CC(CN)CC1=C(Cl)C=C(Cl)C=C1 PKCBB_00838 [0,2,0,0,0,0|2,0,0]=4 69 B13R1.2679 CC1=CC(C)=C(CC(C)CN)C=C1 PKCBB_01083 [0,2,0,0,0,0|2,0,0]=4 70 B13R1.2879 CC(CN)CC1=CC(Cl)=C(Cl)C=C1 PKCBB_00465 [0,2,0,0,0,0|2,0,0]=4 71 B13R1.2879 CC1=C(C)C=C(CC(C)CN)C=C1 PKCBB_01026 [0,2,0,0,0,0|2,0,0]=4 72 B13R1.2872 CC(CN)CC1=C(Cl)C=CC(Cl)=C1 PKCBB_00855 [0,2,0,0,0,0|2,0,0]=4 73 B13R1.2872 CC1=CC(CC(C)CN)=C(C)C=C1 PKCBB_01056 [0,2,0,0,0,0|2,0,0]=4 74 B13R1.2874 CC(CN)CC1=CC(Cl)=CC(Cl)=C1 PKCBB_01865 [0,2,0,0,0,0|2,0,0]=4 75 B13R1.91 COC1=C(CC(C)CN)C=CC=C1 PKCBB_01040 [0,2,0,0,0,0|2,0,0]=4 76 B13R1.4928 CC(CN)CC1=C(Cl)C=CC=C1Cl PKCBB_00946 [0,2,0,0,0,0|2,0,0]=4 77 B13R1.4928 CC(CN)CC1=C(F)C=CC=C1F PKCBB_02247 [0,2,0,0,0,0|2,0,0]=4 78 B11R2.40 NC1(C2=CC=CC=C2)CC1 PKCBB_01267 [0,0,0,1,1,0|2,0,0]=4 79 B9R1.6 CC(N)C1=CC=CC=C1 PKCBB_01014 [1,0,0,0,1,0|0,0,0]=2 80 B9R1.6 CC(S)C1=CC=CN=C1 PKCBB_02051 [1,0,0,0,1,0|2,0,0]=4 81 B9R1.6 CC(S)C1=CC=NC=C1 PKCBB_02056 [1,0,0,0,1,0|2,0,0]=4 82 B9R1.6 CC(S)C1=NC=CC=C1 PKCBB_02046 [1,0,0,0,1,0|2,0,0]=4 83 B13R1.718 CCC(N)COCC1=CC=CC=C1 PKCBB_01023 [0,0,0,0,0,2|2,0,0]=4