0 B9R1.6 CC(N)C1=CC=CC=C1 PKCBB_01014 [0,0,0,0,0,0|2,0,1]=3 1 B9R1.6 CC(S)C1=CC=CN=C1 PKCBB_02051 [0,0,0,0,0,0|1,1,1]=3 2 B8R1.2 NCC1=CC=CC=C1 PKCBB_01006 [1,0,0,0,0,0|1,0,1]=3 3 B10R1.13 CC(N)C1=CC=C(Br)C=C1 PKCBB_02244 [0,1,0,0,0,0|2,0,1]=4 4 B10R1.13 CC(N)C1=CC=C(Cl)C=C1 PKCBB_00841 [0,1,0,0,0,0|2,0,1]=4 5 B10R1.13 CC(N)C1=CC=C(F)C=C1 PKCBB_00913 [0,1,0,0,0,0|2,0,1]=4 6 B10R1.13 CC1=CC=C(C(C)N)C=C1 PKCBB_00975 [0,1,0,0,0,0|2,0,1]=4 7 B10R1.15 CC(C#N)C1=CC=CN=C1 PKCBB_02050 [0,1,0,0,0,0|1,0,2]=4 8 B10R1.15 CC(CN)C1=CC=CC=C1 PKCBB_01020 [0,1,0,0,0,0|2,0,1]=4 9 B10R1.15 CCC(N)C1=CC=CC=C1 PKCBB_01016 [0,1,0,0,0,0|2,0,1]=4 10 B10R1.15 N\C(=N/O)C1=NC=CC=C1 PKCBB_00530 [0,1,0,0,0,0|2,0,1]=4 11 B10R1.15 N\C(=N\O)C1=CC=CC=C1 PKCBB_00007 [0,1,0,0,0,0|1,0,1]=3 12 B10R1.15 N\C(=N\O)C1=CC=CN=C1 PKCBB_00004 [0,1,0,0,0,0|0,0,1]=2 13 B10R1.15 N\C(=N\O)C1=CC=NC=C1 PKCBB_00005 [0,1,0,0,0,0|2,0,1]=4 14 B10R1.28 CC(C)(N)C1=CC=CC=C1 PKCBB_00452 [0,1,0,0,0,0|2,0,1]=4 15 B10R1.61 CC(N)C1=C(Br)C=CC=C1 PKCBB_02240 [0,1,0,0,0,0|2,0,1]=4 16 B10R1.61 CC(N)C1=C(Cl)C=CC=C1 PKCBB_00892 [0,1,0,0,0,0|2,0,1]=4 17 B10R1.61 CC(N)C1=C(F)C=CC=C1 PKCBB_00947 [0,1,0,0,0,0|2,0,1]=4 18 B10R1.61 CC(N)C1=CC=CC=C1O PKCBB_00434 [0,1,0,0,0,0|2,0,1]=4 19 B10R1.61 CC1=C(C(C)N)C=CC=C1 PKCBB_01012 [0,1,0,0,0,0|2,0,1]=4 20 B10R1.61 NC(=S)C1=CC=CN=C1Cl PKCBB_00542 [0,1,0,0,0,0|0,1,0]=2 21 B10R1.113 CC(=O)C1=CC(Cl)=NC=C1 PKCBB_01218 [0,1,0,0,0,0|3,0,0]=4 22 B10R1.113 CC(N)C1=CC(Cl)=CC=C1 PKCBB_00899 [0,1,0,0,0,0|2,0,1]=4 23 B10R1.113 CC1=CC=CC(C(C)N)=C1 PKCBB_00966 [0,1,0,0,0,0|2,0,1]=4 24 B10R1.113 N=C(N)C1=CC(Cl)=NC=C1 PKCBB_01220 [0,1,0,0,0,0|3,0,0]=4 25 B10R1.113 NC(=S)C1=CC(Cl)=NC=C1 PKCBB_01221 [0,1,0,0,0,0|2,1,0]=4 26 B8R1.7 CC(=O)C1=CC=CS1 PKCBB_01781 [0,0,0,0,1,0|2,0,0]=3 27 B8R1.7 CC(=O)C1=NC=CO1 ASIS-0064 [0,0,0,0,1,0|2,0,0]=3 28 B8R1.7 CC(N)C1=CC=CS1 PKCBB_01809 [0,0,0,0,1,0|2,0,1]=4 29 B10R1.18 NC(=S)CC1=CC=NC=C1 PKCBB_00528 [0,0,0,0,0,1|2,1,0]=4 30 B9R1.1 CC1=CC=C(CN)C=C1 PKCBB_00974 [1,1,0,0,0,0|1,0,1]=4 31 B9R1.1 CNC1=CC=C(Cl)N=C1 PKCBB_01210 [1,1,0,0,0,0|2,0,0]=4 32 B9R1.1 NCC1=CC=C(Br)C=C1 PKCBB_02242 [1,1,0,0,0,0|1,0,1]=4 33 B9R1.1 NCC1=CC=C(Cl)C=C1 PKCBB_00840 [1,1,0,0,0,0|1,0,1]=4 34 B9R1.1 NCC1=CC=C(F)C=C1 PKCBB_00912 [1,1,0,0,0,0|1,0,1]=4 35 B9R1.2 CC1=CC=CC(CN)=C1 PKCBB_00965 [1,1,0,0,0,0|1,0,1]=4 36 B9R1.2 NCC1=CC(Cl)=CC=C1 PKCBB_00891 [1,1,0,0,0,0|1,0,1]=4 37 B9R1.8 NCCC1=CC=CC=C1 PKCBB_01021 [1,1,0,0,0,0|1,0,1]=4 38 B9R1.8 NOCC1=CC=CN=C1 PKCBB_02049 [1,1,0,0,0,0|0,0,1]=3 39 B9R1.15 CC1=C(CN)C=CC=C1 PKCBB_01013 [1,1,0,0,0,0|1,0,1]=4 40 B9R1.15 CNC1=CC=CN=C1Cl PKCBB_01233 [1,1,0,0,0,0|2,0,0]=4 41 B9R1.15 NCC1=C(Br)C=CC=C1 PKCBB_02241 [1,1,0,0,0,0|1,0,1]=4 42 B9R1.15 NCC1=C(Cl)C=CC=C1 PKCBB_00890 [1,1,0,0,0,0|1,0,1]=4 43 B9R1.15 NCC1=C(F)C=CC=C1 PKCBB_00948 [1,1,0,0,0,0|1,0,1]=4 44 B9R1.15 NCC1=CC=CN=C1Cl PKCBB_01263 [1,1,0,0,0,0|0,0,1]=3 45 B9R1.15 OCC1=CC=CN=C1Cl PKCBB_00323 [1,1,0,0,0,0|0,0,2]=4 46 B9R1.15 SCC1=CC=CN=C1Cl PKCBB_01215 [1,1,0,0,0,0|0,1,1]=4 47 B9R1.11 CCC(=O)C1=CC=CS1 PKCBB_01812 [0,1,0,0,1,0|2,0,0]=4 48 B9R1.11 N\C(=N/O)C1=CC=CO1 PKCBB_00011 [0,1,0,0,1,0|1,0,1]=4 49 B9R1.11 N\C(=N/O)C1=CC=CS1 PKCBB_01647 [0,1,0,0,1,0|1,0,1]=4 50 B9R1.11 O=C(CCl)C1=NC=CO1 ASIS-0063 [0,1,0,0,1,0|2,0,0]=4 51 B11R1.86 O=C(O)CC1=CC=CN=C1Cl PKCBB_01362 [0,1,0,0,0,1|1,0,0]=3 52 B11R1.22 CC1=CC=C(\C(N)=N/O)C=C1 PKCBB_00001 [0,2,0,0,0,0|1,0,1]=4 53 B11R1.22 N\C(=N/O)C1=CC=C(Br)C=C1 PKCBB_01690 [0,2,0,0,0,0|1,0,1]=4 54 B11R1.22 N\C(=N/O)C1=CC=C(F)C=C1 PKCBB_01693 [0,2,0,0,0,0|1,0,1]=4 55 B11R1.22 N\C(=N\O)C1=CC=C(Cl)C=C1 PKCBB_00006 [0,2,0,0,0,0|1,0,1]=4 56 B11R1.23 CC1=CC=CC(\C(N)=N/O)=C1 PKCBB_00002 [0,2,0,0,0,0|1,0,1]=4 57 B11R1.23 N\C(=N/O)C1=CC(Cl)=CC=C1 PKCBB_01689 [0,2,0,0,0,0|1,0,1]=4 58 B11R1.222 CC1=C(\C(N)=N/O)C=CC=C1 PKCBB_00010 [0,2,0,0,0,0|1,0,1]=4 59 B11R1.222 N\C(=N/O)C1=C(Br)C=CC=C1 PKCBB_01691 [0,2,0,0,0,0|1,0,1]=4 60 B11R1.222 N\C(=N/O)C1=C(Cl)C=CC=C1 PKCBB_01698 [0,2,0,0,0,0|1,0,1]=4 61 B11R1.222 N\C(=N/O)C1=C(F)C=CC=C1 PKCBB_01694 [0,2,0,0,0,0|1,0,1]=4 62 B11R1.167 NC1=C([N+](=O)[O-])C=C(Br)C=N1 PKCBB_00339 [0,2,0,0,0,0|2,0,0]=4 63 B11R1.91 CC(=O)CCC1=CC=CN=C1 PKCBB_01995 [0,0,0,0,0,2|1,0,0]=3