0 B12R1.21 CC(N)CCC1=CC=C(Br)C=C1 PKCBB_02267 [0,0,0,0,0,0|2,0,1]=3 1 B12R1.21 CC(N)CCC1=CC=C(Cl)C=C1 PKCBB_00845 [0,0,0,0,0,0|2,0,1]=3 2 B12R1.21 CC(N)CCC1=CC=C(F)C=C1 PKCBB_00924 [0,0,0,0,0,0|2,0,1]=3 3 B12R1.21 CC1=CC=C(CCC(C)N)C=C1 PKCBB_02549 [0,0,0,0,0,0|2,0,1]=3 4 B11R1.1 CC1=CC=C(CCCN)C=C1 PKCBB_00990 [1,0,0,0,0,0|1,0,1]=3 5 B11R1.1 CC1=CC=C(OCCN)C=C1 PKCBB_00988 [1,0,0,0,0,0|2,0,1]=4 6 B11R1.1 NCCCC1=CC=C(Br)C=C1 PKCBB_02252 [1,0,0,0,0,0|1,0,1]=3 7 B11R1.1 NCCCC1=CC=C(Cl)C=C1 PKCBB_00843 [1,0,0,0,0,0|1,0,1]=3 8 B11R1.1 NCCCC1=CC=C(F)C=C1 PKCBB_00925 [1,0,0,0,0,0|1,0,1]=3 9 B11R1.1 NCCOC1=CC=C(Br)C=C1 PKCBB_02257 [1,0,0,0,0,0|2,0,1]=4 10 B11R1.1 NCCOC1=CC=C(Cl)C=C1 PKCBB_00846 [1,0,0,0,0,0|2,0,1]=4 11 B11R1.1 NCCOC1=CC=C(F)C=C1 PKCBB_00915 [1,0,0,0,0,0|2,0,1]=4 12 B11R1.91 CC(=O)CCC1=CC=CN=C1 PKCBB_01995 [1,0,0,0,0,0|2,0,0]=3 13 B11R1.91 CC(=O)CCC1=CC=NC=C1 PKCBB_02052 [1,0,0,0,0,0|2,0,0]=3 14 B11R1.91 CC(=O)CCC1=NC=CC=C1 PKCBB_01993 [1,0,0,0,0,0|2,0,0]=3 15 B11R1.91 CC(N)CCC1=CC=CC=C1 PKCBB_00276 [1,0,0,0,0,0|1,0,1]=3 16 B13R1.3 CCC1=CN=C(CCC(C)=O)C=C1 PKCBB_00264 [0,1,0,0,0,0|3,0,0]=4 17 B13R1.3 COC1=CC=C(CCC(C)N)C=C1 PKCBB_00880 [0,1,0,0,0,0|1,0,1]=3 18 B13R1.133 CC(OC1=CC=C(Cl)C=C1)C(=O)Cl ASIS-0151 [0,1,0,0,0,0|3,0,0]=4 19 B13R1.164 CC(N)CCC1=C(Cl)C=C(Cl)C=C1 PKCBB_00866 [0,1,0,0,0,0|2,0,1]=4 20 B13R1.164 CC1=CC(C)=C(CCC(C)N)C=C1 PKCBB_01082 [0,1,0,0,0,0|2,0,1]=4 21 B13R1.511 CC(N)CCC1=CC(Cl)=C(Cl)C=C1 PKCBB_00937 [0,1,0,0,0,0|2,0,1]=4 22 B13R1.511 CC1=C(C)C=C(CCC(C)N)C=C1 PKCBB_01027 [0,1,0,0,0,0|2,0,1]=4 23 B13R1.513 CC(N)COCC1=CC=C(Br)C=C1 PKCBB_02255 [0,0,0,0,0,1|2,0,1]=4 24 B13R1.513 CC(N)COCC1=CC=C(Cl)C=C1 PKCBB_00848 [0,0,0,0,0,1|2,0,1]=4 25 B13R1.513 CC(N)COCC1=CC=C(F)C=C1 PKCBB_00930 [0,0,0,0,0,1|2,0,1]=4 26 B13R1.513 CC1=CC=C(COCC(C)N)C=C1 PKCBB_01842 [0,0,0,0,0,1|2,0,1]=4 27 B10R1.1 CC1=CC=C(CCN)C=C1 PKCBB_00962 [2,0,0,0,0,0|1,0,0]=3 28 B10R1.1 NCCC1=CC=C(Br)C=C1 PKCBB_02263 [2,0,0,0,0,0|1,0,0]=3 29 B10R1.1 NCCC1=CC=C(Cl)C=C1 PKCBB_00842 [2,0,0,0,0,0|1,0,0]=3 30 B10R1.1 NCCC1=CC=C(F)C=C1 PKCBB_00928 [2,0,0,0,0,0|1,0,0]=3 31 B10R1.17 NCCCC1=CC=CC=C1 PKCBB_01019 [2,0,0,0,0,0|0,0,1]=3 32 B10R1.17 NCCOC1=CC=CC=C1 PKCBB_01017 [2,0,0,0,0,0|1,0,1]=4 33 B12R1.1 CC1=CC=C(COCCN)C=C1 PKCBB_00987 [1,1,0,0,0,0|1,0,1]=4 34 B12R1.1 NCCOCC1=CC=C(Br)C=C1 PKCBB_02256 [1,1,0,0,0,0|1,0,1]=4 35 B12R1.1 NCCOCC1=CC=C(Cl)C=C1 PKCBB_00847 [1,1,0,0,0,0|1,0,1]=4 36 B12R1.1 NCCOCC1=CC=C(F)C=C1 PKCBB_00922 [1,1,0,0,0,0|1,0,1]=4 37 B12R1.49 CC(CN)CC1=CC=C(Br)C=C1 PKCBB_02259 [1,1,0,0,0,0|1,0,1]=4 38 B12R1.49 CC(CN)CC1=CC=C(Cl)C=C1 PKCBB_00844 [1,1,0,0,0,0|1,0,1]=4 39 B12R1.49 CC(CN)CC1=CC=C(F)C=C1 PKCBB_00430 [1,1,0,0,0,0|1,0,1]=4 40 B12R1.49 CC1=CC=C(CC(C)CN)C=C1 PKCBB_00989 [1,1,0,0,0,0|1,0,1]=4 41 B12R1.69 CC1=CC(C)=C(CCCN)C=C1 PKCBB_01055 [1,1,0,0,0,0|1,0,1]=4 42 B12R1.69 NCCCC1=C(Cl)C=C(Cl)C=C1 PKCBB_00861 [1,1,0,0,0,0|1,0,1]=4 43 B12R1.71 COC1=CC=C(CCCN)C=C1 PKCBB_00878 [1,1,0,0,0,0|0,0,1]=3 44 B12R1.71 COC1=CC=C(OCCN)C=C1 PKCBB_00881 [1,1,0,0,0,0|1,0,1]=4 45 B12R1.385 CC1=C(C)C=C(CCCN)C=C1 PKCBB_01069 [1,1,0,0,0,0|1,0,1]=4 46 B12R1.385 NCCCC1=CC(Cl)=C(Cl)C=C1 PKCBB_00936 [1,1,0,0,0,0|1,0,1]=4 47 B12R1.125 CC(N)CCC1=C(Br)C=CC=C1 PKCBB_01228 [1,1,0,0,0,0|1,0,1]=4 48 B12R1.125 CC(N)CCC1=C(Cl)C=CC=C1 PKCBB_02550 [1,1,0,0,0,0|1,0,1]=4 49 B12R1.125 CC(N)CCC1=C(F)C=CC=C1 PKCBB_00907 [1,1,0,0,0,0|1,0,1]=4 50 B12R1.125 CC1=C(CCC(C)N)C=CC=C1 PKCBB_00991 [1,1,0,0,0,0|1,0,1]=4 51 B12R1.226 CC(N)CCC1=CC(Cl)=CC=C1 PKCBB_00885 [1,1,0,0,0,0|1,0,1]=4 52 B12R1.226 CC1=CC=CC(CCC(C)N)=C1 PKCBB_00970 [1,1,0,0,0,0|1,0,1]=4 53 B14R1.4 COC1=CC=C(COCC(C)N)C=C1 PKCBB_00242 [0,1,0,0,0,1|1,0,1]=4 54 B10R1.18 NC(=S)CC1=CC=NC=C1 PKCBB_00528 [1,0,0,0,1,0|1,1,0]=4 55 B12R1.252 CC(N)COCC1=CC=CC=C1 PKCBB_01015 [1,0,0,0,0,1|1,0,1]=4