0 B9R1.8 NCCC1=CC=CC=C1 PKCBB_01021 [1,0,0,0,0,0|2,0,0]=3 1 B9R1.8 NOCC1=CC=CN=C1 PKCBB_02049 [1,0,0,0,0,0|2,0,0]=3 2 B11R1.36 CC(C)C(N)C1=CC=CC=C1 PKCBB_00266 [0,1,0,0,0,0|1,0,0]=2 3 B11R1.40 CC(CN)CC1=CC=CC=C1 PKCBB_01018 [0,1,0,0,0,0|1,0,0]=2 4 B11R1.86 O=C(O)CC1=CC=CN=C1Cl PKCBB_01362 [0,1,0,0,0,0|2,0,1]=4 5 B9R1.6 CC(N)C1=CC=CC=C1 PKCBB_01014 [0,0,0,0,1,0|2,0,0]=3 6 B9R1.6 CC(S)C1=CC=CN=C1 PKCBB_02051 [0,0,0,0,1,0|1,0,0]=2 7 B9R1.6 CC(S)C1=CC=NC=C1 PKCBB_02056 [0,0,0,0,1,0|3,0,0]=4 8 B9R1.6 CC(S)C1=NC=CC=C1 PKCBB_02046 [0,0,0,0,1,0|3,0,0]=4 9 B11R1.91 CC(=O)CCC1=CC=CN=C1 PKCBB_01995 [0,0,0,0,0,1|1,0,1]=3 10 B11R1.91 CC(N)CCC1=CC=CC=C1 PKCBB_00276 [0,0,0,0,0,1|2,0,0]=3 11 B8R1.2 NCC1=CC=CC=C1 PKCBB_01006 [2,0,0,0,0,0|2,0,0]=4 12 B10R1.1 CC1=CC=C(CCN)C=C1 PKCBB_00962 [1,1,0,0,0,0|2,0,0]=4 13 B10R1.1 NCCC1=CC=C(Br)C=C1 PKCBB_02263 [1,1,0,0,0,0|2,0,0]=4 14 B10R1.1 NCCC1=CC=C(Cl)C=C1 PKCBB_00842 [1,1,0,0,0,0|2,0,0]=4 15 B10R1.1 NCCC1=CC=C(F)C=C1 PKCBB_00928 [1,1,0,0,0,0|2,0,0]=4 16 B10R1.4 CC1=C(CCN)C=CC=C1 PKCBB_01011 [1,1,0,0,0,0|2,0,0]=4 17 B10R1.4 CNCC1=CC=CN=C1Cl PKCBB_01271 [1,1,0,0,0,0|1,0,0]=3 18 B10R1.4 N#CCC1=CC=CN=C1Cl PKCBB_01261 [1,1,0,0,0,0|1,0,1]=4 19 B10R1.4 NCCC1=C(Br)C=CC=C1 PKCBB_02239 [1,1,0,0,0,0|2,0,0]=4 20 B10R1.4 NCCC1=C(Cl)C=CC=C1 PKCBB_00897 [1,1,0,0,0,0|2,0,0]=4 21 B10R1.4 NCCC1=C(F)C=CC=C1 PKCBB_00902 [1,1,0,0,0,0|2,0,0]=4 22 B10R1.4 NOCC1=CC=CN=C1Cl PKCBB_01216 [1,1,0,0,0,0|2,0,0]=4 23 B10R1.10 CC1=CC=CC(CCN)=C1 PKCBB_00967 [1,1,0,0,0,0|2,0,0]=4 24 B10R1.10 NCCC1=CC(Cl)=CC=C1 PKCBB_00887 [1,1,0,0,0,0|2,0,0]=4 25 B10R1.15 CC(C#N)C1=CC=CN=C1 PKCBB_02050 [1,1,0,0,0,0|1,0,1]=4 26 B10R1.15 CC(CN)C1=CC=CC=C1 PKCBB_01020 [1,1,0,0,0,0|2,0,0]=4 27 B10R1.15 CCC(N)C1=CC=CC=C1 PKCBB_01016 [1,1,0,0,0,0|1,0,0]=3 28 B10R1.17 NCCCC1=CC=CC=C1 PKCBB_01019 [1,1,0,0,0,0|1,0,0]=3 29 B10R1.17 NCCOC1=CC=CC=C1 PKCBB_01017 [1,1,0,0,0,0|2,0,0]=4 30 B10R1.13 CC(N)C1=CC=C(Br)C=C1 PKCBB_02244 [0,1,0,0,1,0|2,0,0]=4 31 B10R1.13 CC(N)C1=CC=C(Cl)C=C1 PKCBB_00841 [0,1,0,0,1,0|2,0,0]=4 32 B10R1.13 CC(N)C1=CC=C(F)C=C1 PKCBB_00913 [0,1,0,0,1,0|2,0,0]=4 33 B10R1.13 CC1=CC=C(C(C)N)C=C1 PKCBB_00975 [0,1,0,0,1,0|2,0,0]=4 34 B10R1.28 CC(C)(N)C1=CC=CC=C1 PKCBB_00452 [0,1,0,0,1,0|1,0,0]=3 35 B10R1.61 CC(N)C1=C(Br)C=CC=C1 PKCBB_02240 [0,1,0,0,1,0|2,0,0]=4 36 B10R1.61 CC(N)C1=C(Cl)C=CC=C1 PKCBB_00892 [0,1,0,0,1,0|2,0,0]=4 37 B10R1.61 CC(N)C1=C(F)C=CC=C1 PKCBB_00947 [0,1,0,0,1,0|2,0,0]=4 38 B10R1.61 CC(N)C1=CC=CC=C1O PKCBB_00434 [0,1,0,0,1,0|2,0,0]=4 39 B10R1.61 CC1=C(C(C)N)C=CC=C1 PKCBB_01012 [0,1,0,0,1,0|2,0,0]=4 40 B10R1.113 CC(N)C1=CC(Cl)=CC=C1 PKCBB_00899 [0,1,0,0,1,0|2,0,0]=4 41 B10R1.113 CC1=CC=CC(C(C)N)=C1 PKCBB_00966 [0,1,0,0,1,0|2,0,0]=4 42 B10R1.23 CC(C)C(=O)C1=CC=CS1 PKCBB_01770 [0,1,0,0,1,0|1,0,1]=4 43 B10R1.23 CC(C)C(N)C1=CC=CS1 PKCBB_01811 [0,1,0,0,1,0|1,0,0]=3 44 B12R1.21 CC(N)CCC1=CC=C(Br)C=C1 PKCBB_02267 [0,1,0,0,0,1|2,0,0]=4 45 B12R1.21 CC(N)CCC1=CC=C(Cl)C=C1 PKCBB_00845 [0,1,0,0,0,1|2,0,0]=4 46 B12R1.21 CC(N)CCC1=CC=C(F)C=C1 PKCBB_00924 [0,1,0,0,0,1|2,0,0]=4 47 B12R1.21 CC1=CC=C(CCC(C)N)C=C1 PKCBB_02549 [0,1,0,0,0,1|2,0,0]=4 48 B12R1.125 CC(N)CCC1=C(Br)C=CC=C1 PKCBB_01228 [0,1,0,0,0,1|2,0,0]=4 49 B12R1.125 CC(N)CCC1=C(Cl)C=CC=C1 PKCBB_02550 [0,1,0,0,0,1|2,0,0]=4 50 B12R1.125 CC(N)CCC1=C(F)C=CC=C1 PKCBB_00907 [0,1,0,0,0,1|2,0,0]=4 51 B12R1.125 CC(N)COC1=C(Br)C=CC=C1 PKCBB_00476 [0,1,0,0,0,1|2,0,0]=4 52 B12R1.125 CC1=C(CCC(C)N)C=CC=C1 PKCBB_00991 [0,1,0,0,0,1|2,0,0]=4 53 B12R1.226 CC(N)CCC1=CC(Cl)=CC=C1 PKCBB_00885 [0,1,0,0,0,1|2,0,0]=4 54 B12R1.226 CC1=CC=CC(CCC(C)N)=C1 PKCBB_00970 [0,1,0,0,0,1|2,0,0]=4 55 B12R1.49 CC(CN)CC1=CC=C(Br)C=C1 PKCBB_02259 [0,2,0,0,0,0|1,0,0]=3 56 B12R1.49 CC(CN)CC1=CC=C(Cl)C=C1 PKCBB_00844 [0,2,0,0,0,0|1,0,0]=3 57 B12R1.49 CC(CN)CC1=CC=C(F)C=C1 PKCBB_00430 [0,2,0,0,0,0|1,0,0]=3 58 B12R1.49 CC1=CC=C(CC(C)CN)C=C1 PKCBB_00989 [0,2,0,0,0,0|1,0,0]=3 59 B12R1.34 COC(=O)C(C)C1=CC=CN=C1 PKCBB_01310 [0,2,0,0,0,0|1,0,1]=4 60 B12R1.50 CC(CN)CC1=CC(Cl)=CC=C1 PKCBB_01860 [0,2,0,0,0,0|1,0,0]=3 61 B12R1.50 CC1=CC=CC(CC(C)CN)=C1 PKCBB_00969 [0,2,0,0,0,0|1,0,0]=3 62 B12R1.371 CC(CN)CC1=C(Cl)C=CC=C1 PKCBB_00895 [0,2,0,0,0,0|1,0,0]=3 63 B12R1.371 CC(CN)CC1=C(F)C=CC=C1 PKCBB_00906 [0,2,0,0,0,0|1,0,0]=3 64 B12R1.371 CC(CN)CC1=CC=CC=C1Br PKCBB_00265 [0,2,0,0,0,0|1,0,0]=3 65 B12R1.371 CC1=C(CC(C)CN)C=CC=C1 PKCBB_01009 [0,2,0,0,0,0|1,0,0]=3 66 B12R1.371 COC(=O)CC1=CC=CN=C1Cl PKCBB_01217 [0,2,0,0,0,0|1,0,1]=4 67 B12R1.151 CC(C)(N)CC1=C(Cl)C=CC=C1 PKCBB_01237 [0,2,0,0,0,0|1,0,0]=3 68 B8R1.7 CC(N)C1=CC=CS1 PKCBB_01809 [0,0,0,0,2,0|2,0,0]=4 69 B12R1.252 CC(N)COCC1=CC=CC=C1 PKCBB_01015 [0,0,0,0,0,2|2,0,0]=4