0 B8R1.2 NCC1=CC=CC=C1 PKCBB_01006 [0,0,0,0,0,0|1,0,0]=1 1 B8R1.2 SCC1=CC=NC=C1 PKCBB_02053 [0,0,0,0,0,0|1,1,0]=2 2 B8R1.2 SCC1=NC=CC=C1 PKCBB_02004 [0,0,0,0,0,0|1,1,0]=2 3 B9R1.1 CC1=CC=C(CN)C=C1 PKCBB_00974 [0,1,0,0,0,0|1,0,0]=2 4 B9R1.1 CNC1=CC=C(Cl)N=C1 PKCBB_01210 [0,1,0,0,0,0|3,0,0]=4 5 B9R1.1 NCC1=CC=C(Br)C=C1 PKCBB_02242 [0,1,0,0,0,0|1,0,0]=2 6 B9R1.1 NCC1=CC=C(Cl)C=C1 PKCBB_00840 [0,1,0,0,0,0|1,0,0]=2 7 B9R1.1 NCC1=CC=C(F)C=C1 PKCBB_00912 [0,1,0,0,0,0|1,0,0]=2 8 B9R1.2 CC1=CC=CC(CN)=C1 PKCBB_00965 [0,1,0,0,0,0|1,0,0]=2 9 B9R1.2 CNC1=CC(Cl)=NC=C1 PKCBB_01238 [0,1,0,0,0,0|3,0,0]=4 10 B9R1.2 NCC1=CC(Cl)=CC=C1 PKCBB_00891 [0,1,0,0,0,0|1,0,0]=2 11 B9R1.2 SCC1=CC(Cl)=NC=C1 PKCBB_01222 [0,1,0,0,0,0|1,1,0]=3 12 B9R1.6 CC(N)C1=CC=CC=C1 PKCBB_01014 [0,1,0,0,0,0|1,0,0]=2 13 B9R1.6 CC(S)C1=CC=CN=C1 PKCBB_02051 [0,1,0,0,0,0|1,1,0]=3 14 B9R1.6 CC(S)C1=CC=NC=C1 PKCBB_02056 [0,1,0,0,0,0|1,1,0]=3 15 B9R1.6 CC(S)C1=NC=CC=C1 PKCBB_02046 [0,1,0,0,0,0|1,1,0]=3 16 B9R1.8 NCCC1=CC=CC=C1 PKCBB_01021 [0,1,0,0,0,0|1,0,0]=2 17 B9R1.8 NOCC1=CC=CN=C1 PKCBB_02049 [0,1,0,0,0,0|1,0,0]=2 18 B9R1.8 NOCC1=CC=NC=C1 PKCBB_02054 [0,1,0,0,0,0|1,0,0]=2 19 B9R1.8 NOCC1=NC=CC=C1 PKCBB_02006 [0,1,0,0,0,0|1,0,0]=2 20 B9R1.15 CC1=C(CN)C=CC=C1 PKCBB_01013 [0,1,0,0,0,0|1,0,0]=2 21 B9R1.15 CNC1=CC=CN=C1Cl PKCBB_01233 [0,1,0,0,0,0|3,0,0]=4 22 B9R1.15 NCC1=C(Br)C=CC=C1 PKCBB_02241 [0,1,0,0,0,0|1,0,0]=2 23 B9R1.15 NCC1=C(Cl)C=CC=C1 PKCBB_00890 [0,1,0,0,0,0|1,0,0]=2 24 B9R1.15 NCC1=C(F)C=CC=C1 PKCBB_00948 [0,1,0,0,0,0|1,0,0]=2 25 B9R1.15 NCC1=CC=CN=C1Cl PKCBB_01263 [0,1,0,0,0,0|2,0,0]=3 26 B9R1.15 OCC1=CC=CN=C1Cl PKCBB_00323 [0,1,0,0,0,0|1,0,0]=2 27 B9R1.15 SCC1=CC=CN=C1Cl PKCBB_01215 [0,1,0,0,0,0|1,1,0]=3 28 B8R1.7 CC(N)C1=CC=CS1 PKCBB_01809 [0,1,0,0,1,0|2,0,0]=4 29 B10R1.1 CC1=CC=C(CCN)C=C1 PKCBB_00962 [0,2,0,0,0,0|1,0,0]=3 30 B10R1.1 N#CCC1=CC=C(Br)C=C1 PKCBB_00324 [0,2,0,0,0,0|1,0,0]=3 31 B10R1.1 NCCC1=CC=C(Br)C=C1 PKCBB_02263 [0,2,0,0,0,0|1,0,0]=3 32 B10R1.1 NCCC1=CC=C(Cl)C=C1 PKCBB_00842 [0,2,0,0,0,0|1,0,0]=3 33 B10R1.1 NCCC1=CC=C(F)C=C1 PKCBB_00928 [0,2,0,0,0,0|1,0,0]=3 34 B10R1.3 COC1=CC=C(CN)C=C1 PKCBB_00873 [0,2,0,0,0,0|1,0,0]=3 35 B10R1.13 CC(N)C1=CC=C(Br)C=C1 PKCBB_02244 [0,2,0,0,0,0|1,0,0]=3 36 B10R1.13 CC(N)C1=CC=C(Cl)C=C1 PKCBB_00841 [0,2,0,0,0,0|1,0,0]=3 37 B10R1.13 CC(N)C1=CC=C(F)C=C1 PKCBB_00913 [0,2,0,0,0,0|1,0,0]=3 38 B10R1.13 CC1=CC=C(C(C)N)C=C1 PKCBB_00975 [0,2,0,0,0,0|1,0,0]=3 39 B10R1.25 CC1=CC(C)=C(CN)C=C1 PKCBB_01063 [0,2,0,0,0,0|1,0,0]=3 40 B10R1.25 CC1=CC(C)=C(CN)C=N1 PKCBB_00256 [0,2,0,0,0,0|2,0,0]=4 41 B10R1.25 NCC1=C(Cl)C=C(Cl)C=C1 PKCBB_00850 [0,2,0,0,0,0|1,0,0]=3 42 B10R1.176 CC1=C(C)C=C(CN)C=C1 PKCBB_01085 [0,2,0,0,0,0|1,0,0]=3 43 B10R1.176 NCC1=CC(Cl)=C(Cl)C=C1 PKCBB_00898 [0,2,0,0,0,0|1,0,0]=3 44 B10R1.8 ClCC1=CC(Cl)=CC(Cl)=C1 PKCBB_01234 [0,2,0,0,0,0|1,0,0]=3 45 B10R1.8 NCC1=CC(Cl)=CC(Cl)=C1 PKCBB_00941 [0,2,0,0,0,0|1,0,0]=3 46 B10R1.10 CC1=CC=CC(CCN)=C1 PKCBB_00967 [0,2,0,0,0,0|1,0,0]=3 47 B10R1.10 CNCC1=CC=NC(Cl)=C1 PKCBB_01260 [0,2,0,0,0,0|2,0,0]=4 48 B10R1.10 N#CCC1=CC=NC(Cl)=C1 PKCBB_01258 [0,2,0,0,0,0|2,0,0]=4 49 B10R1.10 NCCC1=CC(Cl)=CC=C1 PKCBB_00887 [0,2,0,0,0,0|1,0,0]=3 50 B10R1.10 NOCC1=CC(Cl)=NC=C1 PKCBB_01223 [0,2,0,0,0,0|1,0,0]=3 51 B10R1.30 CC1=CC(CN)=C(C)C=C1 PKCBB_00984 [0,2,0,0,0,0|1,0,0]=3 52 B10R1.30 CNC1=C(Cl)C=CC(Cl)=C1 PKCBB_01334 [0,2,0,0,0,0|2,0,0]=4 53 B10R1.30 NCC1=C(Cl)C=CC(Cl)=C1 PKCBB_00853 [0,2,0,0,0,0|1,0,0]=3 54 B10R1.113 CC(N)C1=CC(Cl)=CC=C1 PKCBB_00899 [0,2,0,0,0,0|1,0,0]=3 55 B10R1.113 CC1=CC=CC(C(C)N)=C1 PKCBB_00966 [0,2,0,0,0,0|1,0,0]=3 56 B10R1.15 CC(C#N)C1=CC=CN=C1 PKCBB_02050 [0,2,0,0,0,0|2,0,0]=4 57 B10R1.15 CC(C#N)C1=CC=NC=C1 PKCBB_02055 [0,2,0,0,0,0|2,0,0]=4 58 B10R1.15 CC(C#N)C1=NC=CC=C1 PKCBB_02012 [0,2,0,0,0,0|2,0,0]=4 59 B10R1.15 CC(CN)C1=CC=CC=C1 PKCBB_01020 [0,2,0,0,0,0|1,0,0]=3 60 B10R1.15 CC(ON)C1=CC=NC=C1 PKCBB_02057 [0,2,0,0,0,0|1,0,0]=3 61 B10R1.15 CC(ON)C1=NC=CC=C1 PKCBB_02047 [0,2,0,0,0,0|1,0,0]=3 62 B10R1.15 CCC(N)C1=CC=CC=C1 PKCBB_01016 [0,2,0,0,0,0|1,0,0]=3 63 B10R1.15 N\C(=N/O)C1=NC=CC=C1 PKCBB_00530 [0,2,0,0,0,0|1,0,1]=4 64 B10R1.15 N\C(=N\O)C1=CC=CC=C1 PKCBB_00007 [0,2,0,0,0,0|0,0,1]=3 65 B10R1.15 N\C(=N\O)C1=CC=CN=C1 PKCBB_00004 [0,2,0,0,0,0|1,0,1]=4 66 B10R1.15 N\C(=N\O)C1=CC=NC=C1 PKCBB_00005 [0,2,0,0,0,0|1,0,1]=4 67 B10R1.28 CC(C)(N)C1=CC=CC=C1 PKCBB_00452 [0,2,0,0,0,0|1,0,0]=3 68 B10R1.61 CC(N)C1=C(Br)C=CC=C1 PKCBB_02240 [0,2,0,0,0,0|1,0,0]=3 69 B10R1.61 CC(N)C1=C(Cl)C=CC=C1 PKCBB_00892 [0,2,0,0,0,0|1,0,0]=3 70 B10R1.61 CC(N)C1=C(F)C=CC=C1 PKCBB_00947 [0,2,0,0,0,0|1,0,0]=3 71 B10R1.61 CC(N)C1=CC=CC=C1O PKCBB_00434 [0,2,0,0,0,0|1,0,0]=3 72 B10R1.61 CC1=C(C(C)N)C=CC=C1 PKCBB_01012 [0,2,0,0,0,0|1,0,0]=3 73 B10R1.4 CC1=C(CCN)C=CC=C1 PKCBB_01011 [0,2,0,0,0,0|1,0,0]=3 74 B10R1.4 CNCC1=CC=CN=C1Cl PKCBB_01271 [0,2,0,0,0,0|2,0,0]=4 75 B10R1.4 N#CCC1=CC=CN=C1Cl PKCBB_01261 [0,2,0,0,0,0|2,0,0]=4 76 B10R1.4 NCCC1=C(Br)C=CC=C1 PKCBB_02239 [0,2,0,0,0,0|1,0,0]=3 77 B10R1.4 NCCC1=C(Cl)C=CC=C1 PKCBB_00897 [0,2,0,0,0,0|1,0,0]=3 78 B10R1.4 NCCC1=C(F)C=CC=C1 PKCBB_00902 [0,2,0,0,0,0|1,0,0]=3 79 B10R1.4 NOCC1=CC=CN=C1Cl PKCBB_01216 [0,2,0,0,0,0|1,0,0]=3 80 B10R1.17 NCCCC1=CC=CC=C1 PKCBB_01019 [0,2,0,0,0,0|1,0,0]=3 81 B10R1.17 NCCOC1=CC=CC=C1 PKCBB_01017 [0,2,0,0,0,0|1,0,0]=3 82 B10R1.18 NC(=S)CC1=CC=NC=C1 PKCBB_00528 [0,2,0,0,0,0|1,1,0]=4 83 B10R1.20 COC1=C(CN)C=CC=C1 PKCBB_01049 [0,2,0,0,0,0|1,0,0]=3 84 B10R1.245 NCC1=C(Cl)C=CC=C1Cl PKCBB_00931 [0,2,0,0,0,0|1,0,0]=3 85 B10R1.245 NCC1=C(F)C=CC=C1F PKCBB_00918 [0,2,0,0,0,0|1,0,0]=3