0 B10R1.18 NC(=S)CC1=CC=NC=C1 PKCBB_00528 [0,0,0,0,0,0|2,0,1]=3 1 B9R1.8 NCCC1=CC=CC=C1 PKCBB_01021 [1,0,0,0,0,0|0,0,0]=1 2 B9R1.8 NOCC1=CC=CN=C1 PKCBB_02049 [1,0,0,0,0,0|2,0,0]=3 3 B9R1.8 NOCC1=CC=NC=C1 PKCBB_02054 [1,0,0,0,0,0|2,0,0]=3 4 B9R1.8 NOCC1=NC=CC=C1 PKCBB_02006 [1,0,0,0,0,0|2,0,0]=3 5 B11R1.36 CC(C(N)=S)C1=NC=CC=C1 PKCBB_02048 [0,1,0,0,0,0|2,0,1]=4 6 B11R1.36 CC(C)C(N)C1=CC=CC=C1 PKCBB_00266 [0,1,0,0,0,0|1,0,0]=2 7 B11R1.40 CC(CN)CC1=CC=CC=C1 PKCBB_01018 [0,1,0,0,0,0|0,0,0]=1 8 B11R1.86 NC1=CC=CC=C1OC(F)F PKCBB_02585 [0,1,0,0,0,0|3,0,0]=4 9 B11R2.10 NN1N=C2C=CC=CC2=N1 ASIS-0067 [0,0,0,1,0,0|3,0,0]=4 10 B9R1.6 CC(N)C1=CC=CC=C1 PKCBB_01014 [0,0,0,0,1,0|0,0,0]=1 11 B9R1.6 CC(S)C1=CC=CN=C1 PKCBB_02051 [0,0,0,0,1,0|2,0,0]=3 12 B9R1.6 CC(S)C1=CC=NC=C1 PKCBB_02056 [0,0,0,0,1,0|2,0,0]=3 13 B9R1.6 CC(S)C1=NC=CC=C1 PKCBB_02046 [0,0,0,0,1,0|2,0,0]=3 14 B11R1.91 CC(=O)CCC1=CC=CN=C1 PKCBB_01995 [0,0,0,0,0,1|2,0,1]=4 15 B11R1.91 CC(=O)CCC1=CC=NC=C1 PKCBB_02052 [0,0,0,0,0,1|2,0,1]=4 16 B11R1.91 CC(=O)CCC1=NC=CC=C1 PKCBB_01993 [0,0,0,0,0,1|2,0,1]=4 17 B11R1.91 CC(N)CCC1=CC=CC=C1 PKCBB_00276 [0,0,0,0,0,1|0,0,0]=1 18 B8R1.2 NCC1=CC=CC=C1 PKCBB_01006 [2,0,0,0,0,0|0,0,0]=2 19 B8R1.2 SCC1=CC=NC=C1 PKCBB_02053 [2,0,0,0,0,0|2,0,0]=4 20 B8R1.2 SCC1=NC=CC=C1 PKCBB_02004 [2,0,0,0,0,0|2,0,0]=4 21 B10R1.1 CC1=CC=C(CCN)C=C1 PKCBB_00962 [1,1,0,0,0,0|0,0,0]=2 22 B10R1.1 N#CCC1=CC=C(Br)C=C1 PKCBB_00324 [1,1,0,0,0,0|0,0,2]=4 23 B10R1.1 NCCC1=CC=C(Br)C=C1 PKCBB_02263 [1,1,0,0,0,0|0,0,0]=2 24 B10R1.1 NCCC1=CC=C(Cl)C=C1 PKCBB_00842 [1,1,0,0,0,0|0,0,0]=2 25 B10R1.1 NCCC1=CC=C(F)C=C1 PKCBB_00928 [1,1,0,0,0,0|0,0,0]=2 26 B10R1.4 CC1=C(CCN)C=CC=C1 PKCBB_01011 [1,1,0,0,0,0|0,0,0]=2 27 B10R1.4 CNCC1=CC=CN=C1Cl PKCBB_01271 [1,1,0,0,0,0|2,0,0]=4 28 B10R1.4 NCCC1=C(Br)C=CC=C1 PKCBB_02239 [1,1,0,0,0,0|0,0,0]=2 29 B10R1.4 NCCC1=C(Cl)C=CC=C1 PKCBB_00897 [1,1,0,0,0,0|0,0,0]=2 30 B10R1.4 NCCC1=C(F)C=CC=C1 PKCBB_00902 [1,1,0,0,0,0|0,0,0]=2 31 B10R1.4 NOCC1=CC=CN=C1Cl PKCBB_01216 [1,1,0,0,0,0|2,0,0]=4 32 B10R1.10 CC1=CC=CC(CCN)=C1 PKCBB_00967 [1,1,0,0,0,0|0,0,0]=2 33 B10R1.10 CNCC1=CC=NC(Cl)=C1 PKCBB_01260 [1,1,0,0,0,0|2,0,0]=4 34 B10R1.10 NCCC1=CC(Cl)=CC=C1 PKCBB_00887 [1,1,0,0,0,0|0,0,0]=2 35 B10R1.10 NOCC1=CC(Cl)=NC=C1 PKCBB_01223 [1,1,0,0,0,0|2,0,0]=4 36 B10R1.15 CC(CN)C1=CC=CC=C1 PKCBB_01020 [1,1,0,0,0,0|0,0,0]=2 37 B10R1.15 CC(ON)C1=CC=NC=C1 PKCBB_02057 [1,1,0,0,0,0|2,0,0]=4 38 B10R1.15 CC(ON)C1=NC=CC=C1 PKCBB_02047 [1,1,0,0,0,0|2,0,0]=4 39 B10R1.15 CCC(N)C1=CC=CC=C1 PKCBB_01016 [1,1,0,0,0,0|0,0,0]=2 40 B10R1.17 NCCCC1=CC=CC=C1 PKCBB_01019 [1,1,0,0,0,0|0,0,0]=2 41 B10R1.17 NCCOC1=CC=CC=C1 PKCBB_01017 [1,1,0,0,0,0|0,0,0]=2 42 B10R1.13 CC(N)C1=CC=C(Br)C=C1 PKCBB_02244 [0,1,0,0,1,0|0,0,0]=2 43 B10R1.13 CC(N)C1=CC=C(Cl)C=C1 PKCBB_00841 [0,1,0,0,1,0|0,0,0]=2 44 B10R1.13 CC(N)C1=CC=C(F)C=C1 PKCBB_00913 [0,1,0,0,1,0|0,0,0]=2 45 B10R1.13 CC1=CC=C(C(C)N)C=C1 PKCBB_00975 [0,1,0,0,1,0|0,0,0]=2 46 B10R1.28 CC(C)(N)C1=CC=CC=C1 PKCBB_00452 [0,1,0,0,1,0|0,0,0]=2 47 B10R1.61 CC(N)C1=C(Br)C=CC=C1 PKCBB_02240 [0,1,0,0,1,0|0,0,0]=2 48 B10R1.61 CC(N)C1=C(Cl)C=CC=C1 PKCBB_00892 [0,1,0,0,1,0|0,0,0]=2 49 B10R1.61 CC(N)C1=C(F)C=CC=C1 PKCBB_00947 [0,1,0,0,1,0|0,0,0]=2 50 B10R1.61 CC(N)C1=CC=CC=C1O PKCBB_00434 [0,1,0,0,1,0|0,0,0]=2 51 B10R1.61 CC1=C(C(C)N)C=CC=C1 PKCBB_01012 [0,1,0,0,1,0|0,0,0]=2 52 B10R1.113 CC(N)C1=CC(Cl)=CC=C1 PKCBB_00899 [0,1,0,0,1,0|0,0,0]=2 53 B10R1.113 CC1=CC=CC(C(C)N)=C1 PKCBB_00966 [0,1,0,0,1,0|0,0,0]=2 54 B10R1.23 CC(C)C(N)C1=CC=CS1 PKCBB_01811 [0,1,0,0,1,0|2,0,0]=4 55 B12R1.21 CC(N)CCC1=CC=C(Br)C=C1 PKCBB_02267 [0,1,0,0,0,1|0,0,0]=2 56 B12R1.21 CC(N)CCC1=CC=C(Cl)C=C1 PKCBB_00845 [0,1,0,0,0,1|0,0,0]=2 57 B12R1.21 CC(N)CCC1=CC=C(F)C=C1 PKCBB_00924 [0,1,0,0,0,1|0,0,0]=2 58 B12R1.21 CC1=CC=C(CCC(C)N)C=C1 PKCBB_02549 [0,1,0,0,0,1|0,0,0]=2 59 B12R1.125 CC(N)CCC1=C(Br)C=CC=C1 PKCBB_01228 [0,1,0,0,0,1|0,0,0]=2 60 B12R1.125 CC(N)CCC1=C(Cl)C=CC=C1 PKCBB_02550 [0,1,0,0,0,1|0,0,0]=2 61 B12R1.125 CC(N)CCC1=C(F)C=CC=C1 PKCBB_00907 [0,1,0,0,0,1|0,0,0]=2 62 B12R1.125 CC(N)COC1=C(Br)C=CC=C1 PKCBB_00476 [0,1,0,0,0,1|0,0,0]=2 63 B12R1.125 CC1=C(CCC(C)N)C=CC=C1 PKCBB_00991 [0,1,0,0,0,1|0,0,0]=2 64 B12R1.226 CC(N)CCC1=CC(Cl)=CC=C1 PKCBB_00885 [0,1,0,0,0,1|0,0,0]=2 65 B12R1.226 CC1=CC=CC(CCC(C)N)=C1 PKCBB_00970 [0,1,0,0,0,1|0,0,0]=2 66 B12R1.49 CC(CN)CC1=CC=C(Br)C=C1 PKCBB_02259 [0,2,0,0,0,0|0,0,0]=2 67 B12R1.49 CC(CN)CC1=CC=C(Cl)C=C1 PKCBB_00844 [0,2,0,0,0,0|0,0,0]=2 68 B12R1.49 CC(CN)CC1=CC=C(F)C=C1 PKCBB_00430 [0,2,0,0,0,0|0,0,0]=2 69 B12R1.49 CC1=CC=C(CC(C)CN)C=C1 PKCBB_00989 [0,2,0,0,0,0|0,0,0]=2 70 B12R1.50 CC(CN)CC1=CC(Cl)=CC=C1 PKCBB_01860 [0,2,0,0,0,0|0,0,0]=2 71 B12R1.50 CC1=CC=CC(CC(C)CN)=C1 PKCBB_00969 [0,2,0,0,0,0|0,0,0]=2 72 B12R1.371 CC(CN)CC1=C(Cl)C=CC=C1 PKCBB_00895 [0,2,0,0,0,0|0,0,0]=2 73 B12R1.371 CC(CN)CC1=C(F)C=CC=C1 PKCBB_00906 [0,2,0,0,0,0|0,0,0]=2 74 B12R1.371 CC(CN)CC1=CC=CC=C1Br PKCBB_00265 [0,2,0,0,0,0|0,0,0]=2 75 B12R1.371 CC1=C(CC(C)CN)C=CC=C1 PKCBB_01009 [0,2,0,0,0,0|0,0,0]=2 76 B12R1.151 CC(C)(N)CC1=C(Cl)C=CC=C1 PKCBB_01237 [0,2,0,0,0,0|0,0,0]=2 77 B8R1.7 CC(N)C1=CC=CS1 PKCBB_01809 [0,0,0,0,2,0|1,0,0]=3 78 B12R1.252 CC(N)COCC1=CC=CC=C1 PKCBB_01015 [0,0,0,0,0,2|0,0,0]=2