0 B9R1.8 NCCC1=CC=CC=C1 PKCBB_01021 [0,0,0,0,0,0|2,0,0]=2 1 B9R1.8 NOCC1=CC=CN=C1 PKCBB_02049 [0,0,0,0,0,0|4,0,0]=4 2 B9R1.8 NOCC1=CC=NC=C1 PKCBB_02054 [0,0,0,0,0,0|4,0,0]=4 3 B9R1.8 NOCC1=NC=CC=C1 PKCBB_02006 [0,0,0,0,0,0|2,0,0]=2 4 B8R1.2 NCC1=CC=CC=C1 PKCBB_01006 [1,0,0,0,0,0|2,0,0]=3 5 B8R1.2 SCC1=CC=NC=C1 PKCBB_02053 [1,0,0,0,0,0|3,0,0]=4 6 B8R1.2 SCC1=NC=CC=C1 PKCBB_02004 [1,0,0,0,0,0|1,0,0]=2 7 B10R1.1 CC1=CC=C(CCN)C=C1 PKCBB_00962 [0,1,0,0,0,0|2,0,0]=3 8 B10R1.1 N#CCC1=CC=C(Br)C=C1 PKCBB_00324 [0,1,0,0,0,0|2,0,1]=4 9 B10R1.1 NCCC1=CC=C(Br)C=C1 PKCBB_02263 [0,1,0,0,0,0|2,0,0]=3 10 B10R1.1 NCCC1=CC=C(Cl)C=C1 PKCBB_00842 [0,1,0,0,0,0|2,0,0]=3 11 B10R1.1 NCCC1=CC=C(F)C=C1 PKCBB_00928 [0,1,0,0,0,0|2,0,0]=3 12 B10R1.4 CC1=C(CCN)C=CC=C1 PKCBB_01011 [0,1,0,0,0,0|2,0,0]=3 13 B10R1.4 CNCC1=CC=CN=C1Cl PKCBB_01271 [0,1,0,0,0,0|3,0,0]=4 14 B10R1.4 NCCC1=C(Br)C=CC=C1 PKCBB_02239 [0,1,0,0,0,0|2,0,0]=3 15 B10R1.4 NCCC1=C(Cl)C=CC=C1 PKCBB_00897 [0,1,0,0,0,0|2,0,0]=3 16 B10R1.4 NCCC1=C(F)C=CC=C1 PKCBB_00902 [0,1,0,0,0,0|2,0,0]=3 17 B10R1.10 CC1=CC=CC(CCN)=C1 PKCBB_00967 [0,1,0,0,0,0|2,0,0]=3 18 B10R1.10 CNCC1=CC=NC(Cl)=C1 PKCBB_01260 [0,1,0,0,0,0|3,0,0]=4 19 B10R1.10 NCCC1=CC(Cl)=CC=C1 PKCBB_00887 [0,1,0,0,0,0|2,0,0]=3 20 B10R1.15 CC(C#N)C1=NC=CC=C1 PKCBB_02012 [0,1,0,0,0,0|1,0,1]=3 21 B10R1.15 CC(CN)C1=CC=CC=C1 PKCBB_01020 [0,1,0,0,0,0|2,0,0]=3 22 B10R1.15 CC(ON)C1=NC=CC=C1 PKCBB_02047 [0,1,0,0,0,0|2,0,0]=3 23 B10R1.15 CCC(N)C1=CC=CC=C1 PKCBB_01016 [0,1,0,0,0,0|1,0,0]=2 24 B10R1.15 N\C(=N/O)C1=NC=CC=C1 PKCBB_00530 [0,1,0,0,0,0|2,0,1]=4 25 B10R1.17 NCCCC1=CC=CC=C1 PKCBB_01019 [0,1,0,0,0,0|1,0,0]=2 26 B10R1.17 NCCOC1=CC=CC=C1 PKCBB_01017 [0,1,0,0,0,0|2,0,0]=3 27 B9R1.1 CC1=CC=C(CN)C=C1 PKCBB_00974 [1,1,0,0,0,0|2,0,0]=4 28 B9R1.1 NCC1=CC=C(Br)C=C1 PKCBB_02242 [1,1,0,0,0,0|2,0,0]=4 29 B9R1.1 NCC1=CC=C(Cl)C=C1 PKCBB_00840 [1,1,0,0,0,0|2,0,0]=4 30 B9R1.1 NCC1=CC=C(F)C=C1 PKCBB_00912 [1,1,0,0,0,0|2,0,0]=4 31 B9R1.2 CC1=CC=CC(CN)=C1 PKCBB_00965 [1,1,0,0,0,0|2,0,0]=4 32 B9R1.2 NCC1=CC(Cl)=CC=C1 PKCBB_00891 [1,1,0,0,0,0|2,0,0]=4 33 B9R1.6 CC(N)C1=CC=CC=C1 PKCBB_01014 [1,1,0,0,0,0|1,0,0]=3 34 B9R1.6 CC(S)C1=CC=CN=C1 PKCBB_02051 [1,1,0,0,0,0|2,0,0]=4 35 B9R1.6 CC(S)C1=CC=NC=C1 PKCBB_02056 [1,1,0,0,0,0|2,0,0]=4 36 B9R1.6 CC(S)C1=NC=CC=C1 PKCBB_02046 [1,1,0,0,0,0|0,0,0]=2 37 B9R1.15 CC1=C(CN)C=CC=C1 PKCBB_01013 [1,1,0,0,0,0|2,0,0]=4 38 B9R1.15 NCC1=C(Br)C=CC=C1 PKCBB_02241 [1,1,0,0,0,0|2,0,0]=4 39 B9R1.15 NCC1=C(Cl)C=CC=C1 PKCBB_00890 [1,1,0,0,0,0|2,0,0]=4 40 B9R1.15 NCC1=C(F)C=CC=C1 PKCBB_00948 [1,1,0,0,0,0|2,0,0]=4 41 B9R1.11 CCC(=O)C1=CC=CS1 PKCBB_01812 [0,1,0,0,1,0|1,0,1]=4 42 B9R1.11 CCC(N)C1=CC=CS1 PKCBB_01810 [0,1,0,0,1,0|1,0,0]=3 43 B11R1.1 CC1=CC=C(CCCN)C=C1 PKCBB_00990 [0,2,0,0,0,0|1,0,0]=3 44 B11R1.1 CC1=CC=C(OCCN)C=C1 PKCBB_00988 [0,2,0,0,0,0|2,0,0]=4 45 B11R1.1 NCCCC1=CC=C(Br)C=C1 PKCBB_02252 [0,2,0,0,0,0|1,0,0]=3 46 B11R1.1 NCCCC1=CC=C(Cl)C=C1 PKCBB_00843 [0,2,0,0,0,0|1,0,0]=3 47 B11R1.1 NCCCC1=CC=C(F)C=C1 PKCBB_00925 [0,2,0,0,0,0|1,0,0]=3 48 B11R1.1 NCCOC1=CC=C(Br)C=C1 PKCBB_02257 [0,2,0,0,0,0|2,0,0]=4 49 B11R1.1 NCCOC1=CC=C(Cl)C=C1 PKCBB_00846 [0,2,0,0,0,0|2,0,0]=4 50 B11R1.1 NCCOC1=CC=C(F)C=C1 PKCBB_00915 [0,2,0,0,0,0|2,0,0]=4 51 B11R1.22 CC(CN)C1=CC=C(Br)C=C1 PKCBB_02262 [0,2,0,0,0,0|2,0,0]=4 52 B11R1.22 CC(CN)C1=CC=C(Cl)C=C1 PKCBB_02544 [0,2,0,0,0,0|2,0,0]=4 53 B11R1.22 CC(CN)C1=CC=C(F)C=C1 PKCBB_00927 [0,2,0,0,0,0|2,0,0]=4 54 B11R1.22 CC1=CC=C(C(C)CN)C=C1 PKCBB_01661 [0,2,0,0,0,0|2,0,0]=4 55 B11R1.22 CCC(N)C1=CC=C(Br)C=C1 PKCBB_02266 [0,2,0,0,0,0|1,0,0]=3 56 B11R1.22 CCC(N)C1=CC=C(C)C=C1 PKCBB_00983 [0,2,0,0,0,0|1,0,0]=3 57 B11R1.22 CCC(N)C1=CC=C(Cl)C=C1 PKCBB_00210 [0,2,0,0,0,0|1,0,0]=3 58 B11R1.22 CCC(N)C1=CC=C(F)C=C1 PKCBB_00921 [0,2,0,0,0,0|1,0,0]=3 59 B11R1.81 CC1=CC(C)=C(CCN)C=C1 PKCBB_01068 [0,2,0,0,0,0|2,0,0]=4 60 B11R1.81 NCCC1=C(Cl)C=C(Cl)C=C1 PKCBB_00859 [0,2,0,0,0,0|2,0,0]=4 61 B11R1.83 CCC1=CN=C(CC#N)C=C1 PKCBB_00426 [0,2,0,0,0,0|1,0,1]=4 62 B11R1.83 CCC1=CN=C(CCN)C=C1 PKCBB_00258 [0,2,0,0,0,0|1,0,0]=3 63 B11R1.83 CCC1=CN=C(CON)C=C1 PKCBB_01227 [0,2,0,0,0,0|2,0,0]=4 64 B11R1.83 COC1=CC=C(CCN)C=C1 PKCBB_00877 [0,2,0,0,0,0|2,0,0]=4 65 B11R1.192 CC1=C(C)C=C(CCN)C=C1 PKCBB_01071 [0,2,0,0,0,0|2,0,0]=4 66 B11R1.192 NCCC1=CC(Cl)=C(Cl)C=C1 PKCBB_00935 [0,2,0,0,0,0|2,0,0]=4 67 B11R1.17 CC1=C(CCCN)C=CC=C1 PKCBB_01010 [0,2,0,0,0,0|1,0,0]=3 68 B11R1.17 CC1=C(OCCN)C=CC=C1 PKCBB_00976 [0,2,0,0,0,0|2,0,0]=4 69 B11R1.17 NCCCC1=C(Br)C=CC=C1 PKCBB_00469 [0,2,0,0,0,0|1,0,0]=3 70 B11R1.17 NCCCC1=C(Cl)C=CC=C1 PKCBB_00896 [0,2,0,0,0,0|1,0,0]=3 71 B11R1.17 NCCCC1=C(F)C=CC=C1 PKCBB_00905 [0,2,0,0,0,0|1,0,0]=3 72 B11R1.17 NCCOC1=C(Br)C=CC=C1 PKCBB_00475 [0,2,0,0,0,0|2,0,0]=4 73 B11R1.17 NCCOC1=C(Cl)C=CC=C1 PKCBB_00894 [0,2,0,0,0,0|2,0,0]=4 74 B11R1.17 NCCOC1=C(F)C=CC=C1 PKCBB_00908 [0,2,0,0,0,0|2,0,0]=4 75 B11R1.41 COC1=C(CCN)C=CC=C1 PKCBB_01044 [0,2,0,0,0,0|2,0,0]=4 76 B11R1.182 CC1=CC(CCN)=C(C)C=C1 PKCBB_00979 [0,2,0,0,0,0|2,0,0]=4 77 B11R1.182 NCCC1=C(Cl)C=CC(Cl)=C1 PKCBB_00858 [0,2,0,0,0,0|2,0,0]=4 78 B11R1.222 CC(CN)C1=C(Br)C=CC=C1 PKCBB_00466 [0,2,0,0,0,0|2,0,0]=4 79 B11R1.222 CC(CN)C1=C(Cl)C=CC=C1 PKCBB_02546 [0,2,0,0,0,0|2,0,0]=4 80 B11R1.222 CC(CN)C1=C(F)C=CC=C1 PKCBB_00903 [0,2,0,0,0,0|2,0,0]=4 81 B11R1.222 CC1=C(C(C)CN)C=CC=C1 PKCBB_01667 [0,2,0,0,0,0|2,0,0]=4 82 B11R1.222 CCC(N)C1=C(Br)C=CC=C1 PKCBB_00472 [0,2,0,0,0,0|1,0,0]=3 83 B11R1.222 CCC(N)C1=C(C)C=CC=C1 PKCBB_01669 [0,2,0,0,0,0|1,0,0]=3 84 B11R1.222 CCC(N)C1=C(Cl)C=CC=C1 PKCBB_02538 [0,2,0,0,0,0|1,0,0]=3 85 B11R1.222 CCC(N)C1=C(F)C=CC=C1 PKCBB_00929 [0,2,0,0,0,0|1,0,0]=3 86 B11R1.605 NCCC1=C(Cl)C=CC=C1Cl PKCBB_00957 [0,2,0,0,0,0|2,0,0]=4 87 B11R1.605 NCCC1=C(F)C=CC=C1F PKCBB_02250 [0,2,0,0,0,0|2,0,0]=4 88 B11R1.23 CC(CN)C1=CC(Cl)=CC=C1 PKCBB_02068 [0,2,0,0,0,0|2,0,0]=4 89 B11R1.23 CC1=CC=CC(C(C)CN)=C1 PKCBB_01673 [0,2,0,0,0,0|2,0,0]=4 90 B11R1.23 CCC(N)C1=CC(C)=CC=C1 PKCBB_01665 [0,2,0,0,0,0|1,0,0]=3 91 B11R1.23 CCC(N)C1=CC(Cl)=CC=C1 PKCBB_00889 [0,2,0,0,0,0|1,0,0]=3 92 B11R1.24 CC1=CC=CC(CCCN)=C1 PKCBB_00968 [0,2,0,0,0,0|1,0,0]=3 93 B11R1.24 CC1=CC=CC(OCCN)=C1 PKCBB_00971 [0,2,0,0,0,0|2,0,0]=4 94 B11R1.24 NCCCC1=CC(Cl)=CC=C1 PKCBB_00886 [0,2,0,0,0,0|1,0,0]=3 95 B11R1.24 NCCOC1=CC(Cl)=CC=C1 PKCBB_00867 [0,2,0,0,0,0|2,0,0]=4 96 B11R1.34 CNCC1=CC(Cl)=CC(Cl)=C1 PKCBB_01671 [0,2,0,0,0,0|2,0,0]=4 97 B11R1.34 NCCC1=CC(Cl)=CC(Cl)=C1 PKCBB_01862 [0,2,0,0,0,0|2,0,0]=4 98 B11R1.7 CC(C)(CN)C1=CC=CC=C1 PKCBB_02548 [0,2,0,0,0,0|2,0,0]=4 99 B11R1.16 CCCC(N)C1=CC=CC=C1 PKCBB_02563 [0,2,0,0,0,0|1,0,0]=3 100 B11R1.36 CC(C(N)=S)C1=NC=CC=C1 PKCBB_02048 [0,2,0,0,0,0|1,0,1]=4 101 B11R1.36 CC(C)C(N)C1=CC=CC=C1 PKCBB_00266 [0,2,0,0,0,0|1,0,0]=3 102 B11R1.28 NCCOCC1=CC=CC=C1 PKCBB_01008 [0,2,0,0,0,0|1,0,0]=3 103 B11R1.40 CC(CN)CC1=CC=CC=C1 PKCBB_01018 [0,2,0,0,0,0|1,0,0]=3 104 B11R1.91 CC(=O)CCC1=CC=CN=C1 PKCBB_01995 [0,2,0,0,0,0|2,0,0]=4 105 B11R1.91 CC(=O)CCC1=CC=NC=C1 PKCBB_02052 [0,2,0,0,0,0|2,0,0]=4 106 B11R1.91 CC(=O)CCC1=NC=CC=C1 PKCBB_01993 [0,2,0,0,0,0|0,0,0]=2 107 B11R1.91 CC(N)CCC1=CC=CC=C1 PKCBB_00276 [0,2,0,0,0,0|1,0,0]=3 108 B11R2.40 NC1(C2=CC=CC=C2)CC1 PKCBB_01267 [0,1,0,1,0,0|1,0,0]=3