0 B11R1.22 CC(CN)C1=CC=C(Br)C=C1 PKCBB_02262 [0,0,0,0,0,0|2,0,1]=3 1 B11R1.22 CC(CN)C1=CC=C(Cl)C=C1 PKCBB_02544 [0,0,0,0,0,0|2,0,1]=3 2 B11R1.22 CC(CN)C1=CC=C(F)C=C1 PKCBB_00927 [0,0,0,0,0,0|2,0,1]=3 3 B11R1.22 CC1=CC=C(C(C)CN)C=C1 PKCBB_01661 [0,0,0,0,0,0|1,0,1]=2 4 B11R1.22 CC1=CC=C(\C(N)=N/O)C=C1 PKCBB_00001 [0,0,0,0,0,0|2,0,2]=4 5 B11R1.22 CCC(N)C1=CC=C(Br)C=C1 PKCBB_02266 [0,0,0,0,0,0|3,0,1]=4 6 B11R1.22 CCC(N)C1=CC=C(C)C=C1 PKCBB_00983 [0,0,0,0,0,0|2,0,1]=3 7 B11R1.22 CCC(N)C1=CC=C(Cl)C=C1 PKCBB_00210 [0,0,0,0,0,0|3,0,1]=4 8 B11R1.22 CCC(N)C1=CC=C(F)C=C1 PKCBB_00921 [0,0,0,0,0,0|3,0,1]=4 9 B10R1.1 CC1=CC=C(CCN)C=C1 PKCBB_00962 [1,0,0,0,0,0|1,0,1]=3 10 B10R1.1 N#CCC1=CC=C(Br)C=C1 PKCBB_00324 [1,0,0,0,0,0|2,0,1]=4 11 B10R1.1 NCCC1=CC=C(Br)C=C1 PKCBB_02263 [1,0,0,0,0,0|2,0,1]=4 12 B10R1.1 NCCC1=CC=C(Cl)C=C1 PKCBB_00842 [1,0,0,0,0,0|2,0,1]=4 13 B10R1.1 NCCC1=CC=C(F)C=C1 PKCBB_00928 [1,0,0,0,0,0|2,0,1]=4 14 B10R1.13 CC(N)C1=CC=C(Br)C=C1 PKCBB_02244 [1,0,0,0,0,0|2,0,0]=3 15 B10R1.13 CC(N)C1=CC=C(Cl)C=C1 PKCBB_00841 [1,0,0,0,0,0|2,0,0]=3 16 B10R1.13 CC(N)C1=CC=C(F)C=C1 PKCBB_00913 [1,0,0,0,0,0|2,0,0]=3 17 B10R1.13 CC1=CC=C(C(C)N)C=C1 PKCBB_00975 [1,0,0,0,0,0|1,0,0]=2 18 B10R1.15 CC(C#N)C1=CC=CN=C1 PKCBB_02050 [1,0,0,0,0,0|2,0,1]=4 19 B10R1.15 CC(C#N)C1=CC=NC=C1 PKCBB_02055 [1,0,0,0,0,0|2,0,1]=4 20 B10R1.15 CC(C#N)C1=NC=CC=C1 PKCBB_02012 [1,0,0,0,0,0|2,0,1]=4 21 B10R1.15 CC(CN)C1=CC=CC=C1 PKCBB_01020 [1,0,0,0,0,0|1,0,1]=3 22 B10R1.15 CC(ON)C1=CC=NC=C1 PKCBB_02057 [1,0,0,0,0,0|3,0,0]=4 23 B10R1.15 CC(ON)C1=NC=CC=C1 PKCBB_02047 [1,0,0,0,0,0|3,0,0]=4 24 B10R1.15 CCC(N)C1=CC=CC=C1 PKCBB_01016 [1,0,0,0,0,0|2,0,1]=4 25 B12R1.5 CCC(N)C1=CC=C(OC)C=C1 PKCBB_00875 [0,1,0,0,0,0|2,0,1]=4 26 B12R1.5 COC1=CC=C(C(C)CN)C=C1 PKCBB_01595 [0,1,0,0,0,0|1,0,1]=3 27 B12R1.9 CC(C)(CN)C1=CC=C(Br)C=C1 PKCBB_02261 [0,1,0,0,0,0|2,0,1]=4 28 B12R1.9 CC(C)(CN)C1=CC=C(Cl)C=C1 PKCBB_02543 [0,1,0,0,0,0|2,0,1]=4 29 B12R1.9 CC(C)(CN)C1=CC=C(F)C=C1 PKCBB_00926 [0,1,0,0,0,0|2,0,1]=4 30 B12R1.9 CC1=CC=C(C(C)(C)CN)C=C1 PKCBB_01660 [0,1,0,0,0,0|1,0,1]=3 31 B12R1.367 CC(CN)C1=CC(Cl)=C(Cl)C=C1 PKCBB_01242 [0,1,0,0,0,0|2,0,1]=4 32 B12R1.367 CC1=C(C)C=C(C(C)CN)C=C1 PKCBB_01053 [0,1,0,0,0,0|1,0,1]=3 33 B12R1.367 CCC(N)C1=CC(C)=C(C)C=C1 PKCBB_01074 [0,1,0,0,0,0|2,0,1]=4 34 B12R1.1703 CC(CN)C1=C(Cl)C=C(Cl)C=C1 PKCBB_02541 [0,1,0,0,0,0|2,0,1]=4 35 B12R1.1703 CC1=CC(C)=C(C(C)CN)C=C1 PKCBB_01076 [0,1,0,0,0,0|1,0,1]=3 36 B12R1.1703 CCC(N)C1=C(C)C=C(C)C=C1 PKCBB_01065 [0,1,0,0,0,0|2,0,1]=4 37 B12R2.290 CC1=CC=C(C2(N)CC2)C=C1 PKCBB_00454 [0,0,0,1,0,0|2,0,1]=4 38 B12R1.49 CC(CN)CC1=CC=C(Br)C=C1 PKCBB_02259 [0,0,0,0,0,1|2,0,1]=4 39 B12R1.49 CC(CN)CC1=CC=C(Cl)C=C1 PKCBB_00844 [0,0,0,0,0,1|2,0,1]=4 40 B12R1.49 CC(CN)CC1=CC=C(F)C=C1 PKCBB_00430 [0,0,0,0,0,1|2,0,1]=4 41 B12R1.49 CC1=CC=C(CC(C)CN)C=C1 PKCBB_00989 [0,0,0,0,0,1|1,0,1]=3 42 B9R1.1 CC1=CC=C(CN)C=C1 PKCBB_00974 [2,0,0,0,0,0|1,0,0]=3 43 B9R1.1 NCC1=CC=C(Br)C=C1 PKCBB_02242 [2,0,0,0,0,0|2,0,0]=4 44 B9R1.1 NCC1=CC=C(Cl)C=C1 PKCBB_00840 [2,0,0,0,0,0|2,0,0]=4 45 B9R1.1 NCC1=CC=C(F)C=C1 PKCBB_00912 [2,0,0,0,0,0|2,0,0]=4 46 B9R1.8 NCCC1=CC=CC=C1 PKCBB_01021 [2,0,0,0,0,0|1,0,1]=4 47 B9R1.6 CC(N)C1=CC=CC=C1 PKCBB_01014 [2,0,0,0,0,0|1,0,0]=3 48 B9R1.6 CC(S)C1=CC=CN=C1 PKCBB_02051 [2,0,0,0,0,0|1,1,0]=4 49 B9R1.6 CC(S)C1=CC=NC=C1 PKCBB_02056 [2,0,0,0,0,0|1,1,0]=4 50 B9R1.6 CC(S)C1=NC=CC=C1 PKCBB_02046 [2,0,0,0,0,0|1,1,0]=4 51 B11R1.1 CC1=CC=C(CCCN)C=C1 PKCBB_00990 [1,1,0,0,0,0|1,0,1]=4 52 B11R1.1 CC1=CC=C(OCCN)C=C1 PKCBB_00988 [1,1,0,0,0,0|1,0,1]=4 53 B11R1.81 CC1=CC(C)=C(CCN)C=C1 PKCBB_01068 [1,1,0,0,0,0|1,0,1]=4 54 B11R1.83 COC1=CC=C(CCN)C=C1 PKCBB_00877 [1,1,0,0,0,0|1,0,1]=4 55 B11R1.192 CC1=C(C)C=C(CCN)C=C1 PKCBB_01071 [1,1,0,0,0,0|1,0,1]=4 56 B11R1.3 CCC1=CN=C(C(C)=O)C=C1 PKCBB_01273 [1,1,0,0,0,0|1,0,1]=4 57 B11R1.3 CCC1=CN=C(C(C)N)C=C1 PKCBB_00509 [1,1,0,0,0,0|2,0,0]=4 58 B11R1.3 CCC1=CN=C(C(C)O)C=C1 PKCBB_00424 [1,1,0,0,0,0|1,0,1]=4 59 B11R1.3 COC1=CC=C(C(C)N)C=C1 PKCBB_00874 [1,1,0,0,0,0|1,0,0]=3 60 B11R1.19 CC(C)(N)C1=CC=C(Br)C=C1 PKCBB_02265 [1,1,0,0,0,0|1,0,1]=4 61 B11R1.19 CC(C)(N)C1=CC=C(Cl)C=C1 PKCBB_00235 [1,1,0,0,0,0|1,0,1]=4 62 B11R1.19 CC(C)(N)C1=CC=C(F)C=C1 PKCBB_00923 [1,1,0,0,0,0|1,0,1]=4 63 B11R1.19 CC1=CC=C(C(C)(C)N)C=C1 PKCBB_01662 [1,1,0,0,0,0|0,0,1]=3 64 B11R1.21 CC(N)C1=CC(Cl)=C(Cl)C=C1 PKCBB_00932 [1,1,0,0,0,0|2,0,0]=4 65 B11R1.21 CC1=C(C)C=C(C(C)N)C=C1 PKCBB_01075 [1,1,0,0,0,0|1,0,0]=3 66 B11R1.166 CC(N)C1=C(Cl)C=C(Cl)C=C1 PKCBB_00851 [1,1,0,0,0,0|2,0,0]=4 67 B11R1.166 CC1=CC(C)=C(C(C)N)C=C1 PKCBB_01064 [1,1,0,0,0,0|1,0,0]=3 68 B11R1.7 CC(C)(C=O)C1=CC=CC=C1 PKCBB_01253 [1,1,0,0,0,0|0,0,0]=2 69 B11R1.7 CC(C)(CN)C1=CC=CC=C1 PKCBB_02548 [1,1,0,0,0,0|1,0,1]=4 70 B11R1.23 CC(CN)C1=CC(Cl)=CC=C1 PKCBB_02068 [1,1,0,0,0,0|1,0,1]=4 71 B11R1.23 CC1=CC=CC(C(C)CN)=C1 PKCBB_01673 [1,1,0,0,0,0|1,0,1]=4 72 B11R1.36 CC(C(N)=S)C1=NC=CC=C1 PKCBB_02048 [1,1,0,0,0,0|1,1,0]=4 73 B11R1.222 CC(C#N)C1=CC=CC=C1Br PKCBB_00293 [1,1,0,0,0,0|1,0,1]=4 74 B11R1.222 CC(CN)C1=C(Br)C=CC=C1 PKCBB_00466 [1,1,0,0,0,0|1,0,1]=4 75 B11R1.222 CC(CN)C1=C(Cl)C=CC=C1 PKCBB_02546 [1,1,0,0,0,0|1,0,1]=4 76 B11R1.222 CC(CN)C1=C(F)C=CC=C1 PKCBB_00903 [1,1,0,0,0,0|1,0,1]=4 77 B11R1.222 CC1=C(C(C)CN)C=CC=C1 PKCBB_01667 [1,1,0,0,0,0|1,0,1]=4 78 B13R1.5 COC1=CC=C(CC(C)CN)C=C1 PKCBB_00879 [0,1,0,0,0,1|1,0,1]=4 79 B13R1.133 CC(OC1=CC=C(Cl)C=C1)C(=O)Cl ASIS-0151 [0,1,0,0,0,1|1,0,0]=3 80 B13R1.2679 CC1=CC(C)=C(CC(C)CN)C=C1 PKCBB_01083 [0,1,0,0,0,1|1,0,1]=4 81 B13R1.2879 CC1=C(C)C=C(CC(C)CN)C=C1 PKCBB_01026 [0,1,0,0,0,1|1,0,1]=4 82 B13R1.187 COC1=CC=C(C(C)(C)CN)C=C1 PKCBB_01783 [0,2,0,0,0,0|1,0,1]=4 83 B13R1.272 CC1=C(C)C=C(C(C)(C)CN)C=C1 PKCBB_01038 [0,2,0,0,0,0|1,0,1]=4 84 B13R1.4183 CC1=CC(C)=C(C(C)(C)CN)C=C1 PKCBB_01078 [0,2,0,0,0,0|1,0,1]=4 85 B13R2.102 CC1=CC=C(C2(CN)CC2)C=C1 PKCBB_00985 [0,1,0,1,0,0|1,0,1]=4 86 B11R1.40 CC(CN)CC1=CC=CC=C1 PKCBB_01018 [1,0,0,0,0,1|1,0,1]=4