0 B9R1.8 NCCC1=CC=CC=C1 PKCBB_01021 [0,0,0,0,0,0|0,0,0]=0 1 B9R1.8 NOCC1=CC=CN=C1 PKCBB_02049 [0,0,0,0,0,0|2,0,0]=2 2 B9R1.8 NOCC1=CC=NC=C1 PKCBB_02054 [0,0,0,0,0,0|2,0,0]=2 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|0,0,0]=1 5 B8R1.2 SCC1=CC=NC=C1 PKCBB_02053 [1,0,0,0,0,0|2,0,0]=3 6 B8R1.2 SCC1=NC=CC=C1 PKCBB_02004 [1,0,0,0,0,0|2,0,0]=3 7 B10R1.1 CC1=CC=C(CCN)C=C1 PKCBB_00962 [0,1,0,0,0,0|0,0,0]=1 8 B10R1.1 N#CCC1=CC=C(Br)C=C1 PKCBB_00324 [0,1,0,0,0,0|0,0,2]=3 9 B10R1.1 NCCC1=CC=C(Br)C=C1 PKCBB_02263 [0,1,0,0,0,0|0,0,0]=1 10 B10R1.1 NCCC1=CC=C(Cl)C=C1 PKCBB_00842 [0,1,0,0,0,0|0,0,0]=1 11 B10R1.1 NCCC1=CC=C(F)C=C1 PKCBB_00928 [0,1,0,0,0,0|0,0,0]=1 12 B10R1.4 CC1=C(CCN)C=CC=C1 PKCBB_01011 [0,1,0,0,0,0|0,0,0]=1 13 B10R1.4 CNCC1=CC=CN=C1Cl PKCBB_01271 [0,1,0,0,0,0|3,0,0]=4 14 B10R1.4 N#CCC1=CC=CN=C1Cl PKCBB_01261 [0,1,0,0,0,0|1,0,2]=4 15 B10R1.4 NCCC1=C(Br)C=CC=C1 PKCBB_02239 [0,1,0,0,0,0|0,0,0]=1 16 B10R1.4 NCCC1=C(Cl)C=CC=C1 PKCBB_00897 [0,1,0,0,0,0|0,0,0]=1 17 B10R1.4 NCCC1=C(F)C=CC=C1 PKCBB_00902 [0,1,0,0,0,0|0,0,0]=1 18 B10R1.4 NOCC1=CC=CN=C1Cl PKCBB_01216 [0,1,0,0,0,0|2,0,0]=3 19 B10R1.10 CC1=CC=CC(CCN)=C1 PKCBB_00967 [0,1,0,0,0,0|0,0,0]=1 20 B10R1.10 CNCC1=CC=NC(Cl)=C1 PKCBB_01260 [0,1,0,0,0,0|3,0,0]=4 21 B10R1.10 N#CCC1=CC=NC(Cl)=C1 PKCBB_01258 [0,1,0,0,0,0|1,0,2]=4 22 B10R1.10 NCCC1=CC(Cl)=CC=C1 PKCBB_00887 [0,1,0,0,0,0|0,0,0]=1 23 B10R1.10 NOCC1=CC(Cl)=NC=C1 PKCBB_01223 [0,1,0,0,0,0|2,0,0]=3 24 B10R1.15 CC(C#N)C1=CC=CN=C1 PKCBB_02050 [0,1,0,0,0,0|1,0,2]=4 25 B10R1.15 CC(C#N)C1=CC=NC=C1 PKCBB_02055 [0,1,0,0,0,0|1,0,2]=4 26 B10R1.15 CC(C#N)C1=NC=CC=C1 PKCBB_02012 [0,1,0,0,0,0|1,0,2]=4 27 B10R1.15 CC(CN)C1=CC=CC=C1 PKCBB_01020 [0,1,0,0,0,0|0,0,0]=1 28 B10R1.15 CC(ON)C1=CC=NC=C1 PKCBB_02057 [0,1,0,0,0,0|2,0,0]=3 29 B10R1.15 CC(ON)C1=NC=CC=C1 PKCBB_02047 [0,1,0,0,0,0|2,0,0]=3 30 B10R1.15 CCC(N)C1=CC=CC=C1 PKCBB_01016 [0,1,0,0,0,0|1,0,0]=2 31 B10R1.15 N\C(=N\O)C1=CC=CC=C1 PKCBB_00007 [0,1,0,0,0,0|2,0,1]=4 32 B10R1.17 NCCCC1=CC=CC=C1 PKCBB_01019 [0,1,0,0,0,0|0,0,0]=1 33 B10R1.17 NCCOC1=CC=CC=C1 PKCBB_01017 [0,1,0,0,0,0|0,0,0]=1 34 B10R1.18 NC(=S)CC1=CC=NC=C1 PKCBB_00528 [0,1,0,0,0,0|1,0,1]=3 35 B9R1.1 CC1=CC=C(CN)C=C1 PKCBB_00974 [1,1,0,0,0,0|0,0,0]=2 36 B9R1.1 CNC1=CC=C(Cl)N=C1 PKCBB_01210 [1,1,0,0,0,0|2,0,0]=4 37 B9R1.1 NCC1=CC=C(Br)C=C1 PKCBB_02242 [1,1,0,0,0,0|0,0,0]=2 38 B9R1.1 NCC1=CC=C(Cl)C=C1 PKCBB_00840 [1,1,0,0,0,0|0,0,0]=2 39 B9R1.1 NCC1=CC=C(F)C=C1 PKCBB_00912 [1,1,0,0,0,0|0,0,0]=2 40 B9R1.2 CC1=CC=CC(CN)=C1 PKCBB_00965 [1,1,0,0,0,0|0,0,0]=2 41 B9R1.2 CNC1=CC(Cl)=NC=C1 PKCBB_01238 [1,1,0,0,0,0|2,0,0]=4 42 B9R1.2 NCC1=CC(Cl)=CC=C1 PKCBB_00891 [1,1,0,0,0,0|0,0,0]=2 43 B9R1.2 SCC1=CC(Cl)=NC=C1 PKCBB_01222 [1,1,0,0,0,0|2,0,0]=4 44 B9R1.6 CC(N)C1=CC=CC=C1 PKCBB_01014 [1,1,0,0,0,0|0,0,0]=2 45 B9R1.6 CC(S)C1=CC=CN=C1 PKCBB_02051 [1,1,0,0,0,0|1,0,0]=3 46 B9R1.6 CC(S)C1=CC=NC=C1 PKCBB_02056 [1,1,0,0,0,0|1,0,0]=3 47 B9R1.6 CC(S)C1=NC=CC=C1 PKCBB_02046 [1,1,0,0,0,0|1,0,0]=3 48 B9R1.15 CC1=C(CN)C=CC=C1 PKCBB_01013 [1,1,0,0,0,0|0,0,0]=2 49 B9R1.15 CNC1=CC=CN=C1Cl PKCBB_01233 [1,1,0,0,0,0|2,0,0]=4 50 B9R1.15 NCC1=C(Br)C=CC=C1 PKCBB_02241 [1,1,0,0,0,0|0,0,0]=2 51 B9R1.15 NCC1=C(Cl)C=CC=C1 PKCBB_00890 [1,1,0,0,0,0|0,0,0]=2 52 B9R1.15 NCC1=C(F)C=CC=C1 PKCBB_00948 [1,1,0,0,0,0|0,0,0]=2 53 B9R1.15 NCC1=CC=CN=C1Cl PKCBB_01263 [1,1,0,0,0,0|1,0,0]=3 54 B9R1.15 OCC1=CC=CN=C1Cl PKCBB_00323 [1,1,0,0,0,0|2,0,0]=4 55 B9R1.15 SCC1=CC=CN=C1Cl PKCBB_01215 [1,1,0,0,0,0|2,0,0]=4 56 B9R1.11 CCC(N)C1=CC=CS1 PKCBB_01810 [0,1,0,0,1,0|2,0,0]=4 57 B11R1.1 CC1=CC=C(CCCN)C=C1 PKCBB_00990 [0,2,0,0,0,0|0,0,0]=2 58 B11R1.1 CC1=CC=C(OCCN)C=C1 PKCBB_00988 [0,2,0,0,0,0|0,0,0]=2 59 B11R1.1 NCCCC1=CC=C(Br)C=C1 PKCBB_02252 [0,2,0,0,0,0|0,0,0]=2 60 B11R1.1 NCCCC1=CC=C(Cl)C=C1 PKCBB_00843 [0,2,0,0,0,0|0,0,0]=2 61 B11R1.1 NCCCC1=CC=C(F)C=C1 PKCBB_00925 [0,2,0,0,0,0|0,0,0]=2 62 B11R1.1 NCCOC1=CC=C(Br)C=C1 PKCBB_02257 [0,2,0,0,0,0|0,0,0]=2 63 B11R1.1 NCCOC1=CC=C(Cl)C=C1 PKCBB_00846 [0,2,0,0,0,0|0,0,0]=2 64 B11R1.1 NCCOC1=CC=C(F)C=C1 PKCBB_00915 [0,2,0,0,0,0|0,0,0]=2 65 B11R1.22 CC(CN)C1=CC=C(Br)C=C1 PKCBB_02262 [0,2,0,0,0,0|0,0,0]=2 66 B11R1.22 CC(CN)C1=CC=C(Cl)C=C1 PKCBB_02544 [0,2,0,0,0,0|0,0,0]=2 67 B11R1.22 CC(CN)C1=CC=C(F)C=C1 PKCBB_00927 [0,2,0,0,0,0|0,0,0]=2 68 B11R1.22 CC1=CC=C(C(C)CN)C=C1 PKCBB_01661 [0,2,0,0,0,0|0,0,0]=2 69 B11R1.22 CCC(N)C1=CC=C(Br)C=C1 PKCBB_02266 [0,2,0,0,0,0|1,0,0]=3 70 B11R1.22 CCC(N)C1=CC=C(C)C=C1 PKCBB_00983 [0,2,0,0,0,0|1,0,0]=3 71 B11R1.22 CCC(N)C1=CC=C(Cl)C=C1 PKCBB_00210 [0,2,0,0,0,0|1,0,0]=3 72 B11R1.22 CCC(N)C1=CC=C(F)C=C1 PKCBB_00921 [0,2,0,0,0,0|1,0,0]=3 73 B11R1.81 CC1=CC(C)=C(CCN)C=C1 PKCBB_01068 [0,2,0,0,0,0|0,0,0]=2 74 B11R1.81 NCCC1=C(Cl)C=C(Cl)C=C1 PKCBB_00859 [0,2,0,0,0,0|0,0,0]=2 75 B11R1.83 CCC1=CN=C(CCN)C=C1 PKCBB_00258 [0,2,0,0,0,0|1,0,0]=3 76 B11R1.83 CCC1=CN=C(CON)C=C1 PKCBB_01227 [0,2,0,0,0,0|2,0,0]=4 77 B11R1.83 COC1=CC=C(CCN)C=C1 PKCBB_00877 [0,2,0,0,0,0|0,0,0]=2 78 B11R1.192 CC1=C(C)C=C(CCN)C=C1 PKCBB_01071 [0,2,0,0,0,0|0,0,0]=2 79 B11R1.192 NCCC1=CC(Cl)=C(Cl)C=C1 PKCBB_00935 [0,2,0,0,0,0|0,0,0]=2 80 B11R1.17 CC1=C(CCCN)C=CC=C1 PKCBB_01010 [0,2,0,0,0,0|0,0,0]=2 81 B11R1.17 CC1=C(OCCN)C=CC=C1 PKCBB_00976 [0,2,0,0,0,0|0,0,0]=2 82 B11R1.17 NCCCC1=C(Br)C=CC=C1 PKCBB_00469 [0,2,0,0,0,0|0,0,0]=2 83 B11R1.17 NCCCC1=C(Cl)C=CC=C1 PKCBB_00896 [0,2,0,0,0,0|0,0,0]=2 84 B11R1.17 NCCCC1=C(F)C=CC=C1 PKCBB_00905 [0,2,0,0,0,0|0,0,0]=2 85 B11R1.17 NCCOC1=C(Br)C=CC=C1 PKCBB_00475 [0,2,0,0,0,0|0,0,0]=2 86 B11R1.17 NCCOC1=C(Cl)C=CC=C1 PKCBB_00894 [0,2,0,0,0,0|0,0,0]=2 87 B11R1.17 NCCOC1=C(F)C=CC=C1 PKCBB_00908 [0,2,0,0,0,0|0,0,0]=2 88 B11R1.41 COC1=C(CCN)C=CC=C1 PKCBB_01044 [0,2,0,0,0,0|0,0,0]=2 89 B11R1.86 NC1=CC=CC=C1OC(F)F PKCBB_02585 [0,2,0,0,0,0|2,0,0]=4 90 B11R1.182 CC1=CC(CCN)=C(C)C=C1 PKCBB_00979 [0,2,0,0,0,0|0,0,0]=2 91 B11R1.182 NCCC1=C(Cl)C=CC(Cl)=C1 PKCBB_00858 [0,2,0,0,0,0|0,0,0]=2 92 B11R1.222 CC(C#N)C1=CC=CC=C1Br PKCBB_00293 [0,2,0,0,0,0|0,0,2]=4 93 B11R1.222 CC(CN)C1=C(Br)C=CC=C1 PKCBB_00466 [0,2,0,0,0,0|0,0,0]=2 94 B11R1.222 CC(CN)C1=C(Cl)C=CC=C1 PKCBB_02546 [0,2,0,0,0,0|0,0,0]=2 95 B11R1.222 CC(CN)C1=C(F)C=CC=C1 PKCBB_00903 [0,2,0,0,0,0|0,0,0]=2 96 B11R1.222 CC1=C(C(C)CN)C=CC=C1 PKCBB_01667 [0,2,0,0,0,0|0,0,0]=2 97 B11R1.222 CCC(N)C1=C(Br)C=CC=C1 PKCBB_00472 [0,2,0,0,0,0|1,0,0]=3 98 B11R1.222 CCC(N)C1=C(C)C=CC=C1 PKCBB_01669 [0,2,0,0,0,0|1,0,0]=3 99 B11R1.222 CCC(N)C1=C(Cl)C=CC=C1 PKCBB_02538 [0,2,0,0,0,0|1,0,0]=3 100 B11R1.222 CCC(N)C1=C(F)C=CC=C1 PKCBB_00929 [0,2,0,0,0,0|1,0,0]=3 101 B11R1.605 NCCC1=C(Cl)C=CC=C1Cl PKCBB_00957 [0,2,0,0,0,0|0,0,0]=2 102 B11R1.605 NCCC1=C(F)C=CC=C1F PKCBB_02250 [0,2,0,0,0,0|0,0,0]=2 103 B11R1.23 CC(CN)C1=CC(Cl)=CC=C1 PKCBB_02068 [0,2,0,0,0,0|0,0,0]=2 104 B11R1.23 CC1=CC=CC(C(C)CN)=C1 PKCBB_01673 [0,2,0,0,0,0|0,0,0]=2 105 B11R1.23 CCC(N)C1=CC(C)=CC=C1 PKCBB_01665 [0,2,0,0,0,0|1,0,0]=3 106 B11R1.23 CCC(N)C1=CC(Cl)=CC=C1 PKCBB_00889 [0,2,0,0,0,0|1,0,0]=3 107 B11R1.24 CC1=CC=CC(CCCN)=C1 PKCBB_00968 [0,2,0,0,0,0|0,0,0]=2 108 B11R1.24 CC1=CC=CC(OCCN)=C1 PKCBB_00971 [0,2,0,0,0,0|0,0,0]=2 109 B11R1.24 NCCCC1=CC(Cl)=CC=C1 PKCBB_00886 [0,2,0,0,0,0|0,0,0]=2 110 B11R1.24 NCCOC1=CC(Cl)=CC=C1 PKCBB_00867 [0,2,0,0,0,0|0,0,0]=2 111 B11R1.34 CNCC1=CC(Cl)=CC(Cl)=C1 PKCBB_01671 [0,2,0,0,0,0|2,0,0]=4 112 B11R1.34 N#CCC1=CC(Cl)=CC(Cl)=C1 PKCBB_01225 [0,2,0,0,0,0|0,0,2]=4 113 B11R1.34 NCCC1=CC(Cl)=CC(Cl)=C1 PKCBB_01862 [0,2,0,0,0,0|0,0,0]=2 114 B11R1.7 CC(C)(C=O)C1=CC=CC=C1 PKCBB_01253 [0,2,0,0,0,0|1,0,1]=4 115 B11R1.7 CC(C)(CN)C1=CC=CC=C1 PKCBB_02548 [0,2,0,0,0,0|0,0,0]=2 116 B11R1.16 CCCC(N)C1=CC=CC=C1 PKCBB_02563 [0,2,0,0,0,0|1,0,0]=3 117 B11R1.36 CC(C(N)=S)C1=NC=CC=C1 PKCBB_02048 [0,2,0,0,0,0|1,0,1]=4 118 B11R1.36 CC(C)C(N)C1=CC=CC=C1 PKCBB_00266 [0,2,0,0,0,0|1,0,0]=3 119 B11R1.28 NCCOCC1=CC=CC=C1 PKCBB_01008 [0,2,0,0,0,0|0,0,0]=2 120 B11R1.40 CC(CN)CC1=CC=CC=C1 PKCBB_01018 [0,2,0,0,0,0|0,0,0]=2 121 B11R1.91 CC(=O)CCC1=CC=CN=C1 PKCBB_01995 [0,2,0,0,0,0|2,0,0]=4 122 B11R1.91 CC(=O)CCC1=CC=NC=C1 PKCBB_02052 [0,2,0,0,0,0|2,0,0]=4 123 B11R1.91 CC(=O)CCC1=NC=CC=C1 PKCBB_01993 [0,2,0,0,0,0|2,0,0]=4 124 B11R1.91 CC(N)CCC1=CC=CC=C1 PKCBB_00276 [0,2,0,0,0,0|0,0,0]=2 125 B11R2.10 NN1N=C2C=CC=CC2=N1 ASIS-0067 [0,1,0,1,0,0|2,0,0]=4 126 B11R2.1 NN1N=NC2=CC=CC=C21 ASIS-0066 [0,1,0,1,0,0|2,0,0]=4 127 B11R2.40 NC1(C2=CC=CC=C2)CC1 PKCBB_01267 [0,1,0,1,0,0|1,0,0]=3