0 B9R1.15 CC1=C(CN)C=CC=C1 PKCBB_01013 [0,0,0,0,0,0|3,0,0]=3 1 B9R1.15 CNC1=CC=CN=C1Cl PKCBB_01233 [0,0,0,0,0,0|3,0,0]=3 2 B9R1.15 NCC1=C(Br)C=CC=C1 PKCBB_02241 [0,0,0,0,0,0|3,0,0]=3 3 B9R1.15 NCC1=C(Cl)C=CC=C1 PKCBB_00890 [0,0,0,0,0,0|3,0,0]=3 4 B9R1.15 NCC1=C(F)C=CC=C1 PKCBB_00948 [0,0,0,0,0,0|3,0,0]=3 5 B9R1.15 NCC1=CC=CN=C1Cl PKCBB_01263 [0,0,0,0,0,0|4,0,0]=4 6 B9R1.15 OCC1=CC=CN=C1Cl PKCBB_00323 [0,0,0,0,0,0|4,0,0]=4 7 B9R1.15 SCC1=CC=CN=C1Cl PKCBB_01215 [0,0,0,0,0,0|4,0,0]=4 8 B8R1.2 NCC1=CC=CC=C1 PKCBB_01006 [1,0,0,0,0,0|2,0,0]=3 9 B8R1.2 SCC1=CC=NC=C1 PKCBB_02053 [1,0,0,0,0,0|3,0,0]=4 10 B8R1.2 SCC1=NC=CC=C1 PKCBB_02004 [1,0,0,0,0,0|3,0,0]=4 11 B10R1.2 COC1=NC=NC(C)=C1Br PKCBB_02629 [0,1,0,0,0,0|3,0,0]=4 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 B10R1.4 NOCC1=CC=CN=C1Cl PKCBB_01216 [0,1,0,0,0,0|3,0,0]=4 18 B10R1.20 COC1=C(CN)C=CC=C1 PKCBB_01049 [0,1,0,0,0,0|1,0,0]=2 19 B10R1.25 CC1=CC(C)=C(CN)C=C1 PKCBB_01063 [0,1,0,0,0,0|3,0,0]=4 20 B10R1.25 NCC1=C(Cl)C=C(Cl)C=C1 PKCBB_00850 [0,1,0,0,0,0|3,0,0]=4 21 B10R1.30 CC1=CC(CN)=C(C)C=C1 PKCBB_00984 [0,1,0,0,0,0|3,0,0]=4 22 B10R1.30 CNC1=C(Cl)C=CC(Cl)=C1 PKCBB_01334 [0,1,0,0,0,0|2,0,0]=3 23 B10R1.30 NCC1=C(Cl)C=CC(Cl)=C1 PKCBB_00853 [0,1,0,0,0,0|3,0,0]=4 24 B10R1.61 CC(N)C1=C(Br)C=CC=C1 PKCBB_02240 [0,1,0,0,0,0|2,0,0]=3 25 B10R1.61 CC(N)C1=C(Cl)C=CC=C1 PKCBB_00892 [0,1,0,0,0,0|2,0,0]=3 26 B10R1.61 CC(N)C1=C(F)C=CC=C1 PKCBB_00947 [0,1,0,0,0,0|2,0,0]=3 27 B10R1.61 CC(N)C1=CC=CC=C1O PKCBB_00434 [0,1,0,0,0,0|1,0,0]=2 28 B10R1.61 CC1=C(C(C)N)C=CC=C1 PKCBB_01012 [0,1,0,0,0,0|2,0,0]=3 29 B10R1.245 NCC1=C(Cl)C=CC=C1Cl PKCBB_00931 [0,1,0,0,0,0|3,0,0]=4 30 B10R1.245 NCC1=C(F)C=CC=C1F PKCBB_00918 [0,1,0,0,0,0|3,0,0]=4 31 B9R1.1 CC1=CC=C(CN)C=C1 PKCBB_00974 [1,1,0,0,0,0|2,0,0]=4 32 B9R1.1 CNC1=CC=C(Cl)N=C1 PKCBB_01210 [1,1,0,0,0,0|2,0,0]=4 33 B9R1.1 NCC1=CC=C(Br)C=C1 PKCBB_02242 [1,1,0,0,0,0|2,0,0]=4 34 B9R1.1 NCC1=CC=C(Cl)C=C1 PKCBB_00840 [1,1,0,0,0,0|2,0,0]=4 35 B9R1.1 NCC1=CC=C(F)C=C1 PKCBB_00912 [1,1,0,0,0,0|2,0,0]=4 36 B9R1.2 CC1=CC=CC(CN)=C1 PKCBB_00965 [1,1,0,0,0,0|2,0,0]=4 37 B9R1.2 CNC1=CC(Cl)=NC=C1 PKCBB_01238 [1,1,0,0,0,0|2,0,0]=4 38 B9R1.2 NCC1=CC(Cl)=CC=C1 PKCBB_00891 [1,1,0,0,0,0|2,0,0]=4 39 B9R1.6 CC(N)C1=CC=CC=C1 PKCBB_01014 [1,1,0,0,0,0|1,0,0]=3 40 B9R1.6 CC(S)C1=CC=CN=C1 PKCBB_02051 [1,1,0,0,0,0|2,0,0]=4 41 B9R1.6 CC(S)C1=CC=NC=C1 PKCBB_02056 [1,1,0,0,0,0|2,0,0]=4 42 B9R1.6 CC(S)C1=NC=CC=C1 PKCBB_02046 [1,1,0,0,0,0|2,0,0]=4 43 B9R1.8 NCCC1=CC=CC=C1 PKCBB_01021 [1,1,0,0,0,0|1,0,0]=3 44 B9R1.8 NOCC1=CC=CN=C1 PKCBB_02049 [1,1,0,0,0,0|2,0,0]=4 45 B9R1.8 NOCC1=CC=NC=C1 PKCBB_02054 [1,1,0,0,0,0|2,0,0]=4 46 B9R1.8 NOCC1=NC=CC=C1 PKCBB_02006 [1,1,0,0,0,0|2,0,0]=4 47 B9R1.69 CC1=C(Cl)C=CC(Cl)=N1 PKCBB_02630 [1,1,0,0,0,0|2,0,0]=4 48 B11R1.267 N#CC1=C(O)C(C=O)=CC=C1 ASIS-0028 [0,2,0,0,0,0|2,0,0]=4 49 B11R1.278 O=CC1=CC=C(Cl)C(Cl)=C1O ASIS-0030 [0,2,0,0,0,0|2,0,0]=4 50 B11R1.17 CC1=C(CCCN)C=CC=C1 PKCBB_01010 [0,2,0,0,0,0|2,0,0]=4 51 B11R1.17 CC1=C(OCCN)C=CC=C1 PKCBB_00976 [0,2,0,0,0,0|1,0,0]=3 52 B11R1.17 NCCCC1=C(Br)C=CC=C1 PKCBB_00469 [0,2,0,0,0,0|2,0,0]=4 53 B11R1.17 NCCCC1=C(Cl)C=CC=C1 PKCBB_00896 [0,2,0,0,0,0|2,0,0]=4 54 B11R1.17 NCCCC1=C(F)C=CC=C1 PKCBB_00905 [0,2,0,0,0,0|2,0,0]=4 55 B11R1.17 NCCOC1=C(Br)C=CC=C1 PKCBB_00475 [0,2,0,0,0,0|1,0,0]=3 56 B11R1.17 NCCOC1=C(Cl)C=CC=C1 PKCBB_00894 [0,2,0,0,0,0|1,0,0]=3 57 B11R1.17 NCCOC1=C(F)C=CC=C1 PKCBB_00908 [0,2,0,0,0,0|1,0,0]=3 58 B11R1.41 COC1=C(CCN)C=CC=C1 PKCBB_01044 [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 B11R1.86 NC1=CC=CC=C1OC(F)F PKCBB_02585 [0,2,0,0,0,0|1,0,0]=3 62 B11R1.182 CC1=CC(CCN)=C(C)C=C1 PKCBB_00979 [0,2,0,0,0,0|2,0,0]=4 63 B11R1.182 NCCC1=C(Cl)C=CC(Cl)=C1 PKCBB_00858 [0,2,0,0,0,0|2,0,0]=4 64 B11R1.222 CC(C#N)C1=CC=CC=C1Br PKCBB_00293 [0,2,0,0,0,0|2,0,0]=4 65 B11R1.222 CC(CN)C1=C(Br)C=CC=C1 PKCBB_00466 [0,2,0,0,0,0|2,0,0]=4 66 B11R1.222 CC(CN)C1=C(Cl)C=CC=C1 PKCBB_02546 [0,2,0,0,0,0|2,0,0]=4 67 B11R1.222 CC(CN)C1=C(F)C=CC=C1 PKCBB_00903 [0,2,0,0,0,0|2,0,0]=4 68 B11R1.222 CC1=C(C(C)CN)C=CC=C1 PKCBB_01667 [0,2,0,0,0,0|2,0,0]=4 69 B11R1.222 CCC(N)C1=C(Br)C=CC=C1 PKCBB_00472 [0,2,0,0,0,0|2,0,0]=4 70 B11R1.222 CCC(N)C1=C(C)C=CC=C1 PKCBB_01669 [0,2,0,0,0,0|2,0,0]=4 71 B11R1.222 CCC(N)C1=C(Cl)C=CC=C1 PKCBB_02538 [0,2,0,0,0,0|2,0,0]=4 72 B11R1.222 CCC(N)C1=C(F)C=CC=C1 PKCBB_00929 [0,2,0,0,0,0|2,0,0]=4 73 B11R1.605 NCCC1=C(Cl)C=CC=C1Cl PKCBB_00957 [0,2,0,0,0,0|2,0,0]=4 74 B11R1.605 NCCC1=C(F)C=CC=C1F PKCBB_02250 [0,2,0,0,0,0|2,0,0]=4 75 B11R1.53 COC1=C(C(C)N)C=CC=C1 PKCBB_01048 [0,2,0,0,0,0|1,0,0]=3 76 B11R1.166 CC(N)C1=C(Cl)C=C(Cl)C=C1 PKCBB_00851 [0,2,0,0,0,0|2,0,0]=4 77 B11R1.166 CC1=CC(C)=C(C(C)N)C=C1 PKCBB_01064 [0,2,0,0,0,0|2,0,0]=4 78 B11R1.167 CC(N)C1=C(Cl)C=CC(Cl)=C1 PKCBB_00860 [0,2,0,0,0,0|2,0,0]=4 79 B11R1.167 CC1=CC(C(C)N)=C(C)C=C1 PKCBB_00992 [0,2,0,0,0,0|2,0,0]=4 80 B11R1.280 N#CC1=C(O)C=CC(C=O)=C1 ASIS-0029 [0,2,0,0,0,0|2,0,0]=4 81 B11R1.87 CC(C)(N)C1=C(Br)C=CC=C1 PKCBB_00470 [0,2,0,0,0,0|2,0,0]=4 82 B11R1.87 CC(C)(N)C1=C(Cl)C=CC=C1 PKCBB_00869 [0,2,0,0,0,0|2,0,0]=4 83 B11R1.87 CC(C)(N)C1=C(F)C=CC=C1 PKCBB_00914 [0,2,0,0,0,0|2,0,0]=4 84 B11R1.87 CC1=C(C(C)(C)N)C=CC=C1 PKCBB_01668 [0,2,0,0,0,0|2,0,0]=4 85 B11R1.156 CC(N)C1=C(Cl)C=CC=C1Cl PKCBB_00959 [0,2,0,0,0,0|2,0,0]=4 86 B11R1.156 CC(N)C1=C(F)C=CC=C1F PKCBB_00917 [0,2,0,0,0,0|2,0,0]=4