0 B10R1.18 NC(=S)CC1=CC=NC=C1 PKCBB_00528 [0,0,0,0,0,0|2,1,0]=3 1 B9R1.8 NCCC1=CC=CC=C1 PKCBB_01021 [1,0,0,0,0,0|1,0,1]=3 2 B9R1.8 NOCC1=CC=CN=C1 PKCBB_02049 [1,0,0,0,0,0|3,0,0]=4 3 B9R1.8 NOCC1=CC=NC=C1 PKCBB_02054 [1,0,0,0,0,0|3,0,0]=4 4 B9R1.8 NOCC1=NC=CC=C1 PKCBB_02006 [1,0,0,0,0,0|3,0,0]=4 5 B11R1.36 CC(C(N)=S)C1=NC=CC=C1 PKCBB_02048 [0,1,0,0,0,0|2,1,0]=4 6 B11R1.36 CC(C)C(N)C1=CC=CC=C1 PKCBB_00266 [0,1,0,0,0,0|2,0,1]=4 7 B11R1.40 CC(CN)CC1=CC=CC=C1 PKCBB_01018 [0,1,0,0,0,0|2,0,1]=4 8 B11R1.86 O=C(O)CC1=CC=CN=C1Cl PKCBB_01362 [0,1,0,0,0,0|1,0,0]=2 9 B11R1.157 O=C(O)CC1=CC=NC(Cl)=C1 PKCBB_01259 [0,1,0,0,0,0|1,0,0]=2 10 B9R1.6 CC(N)C1=CC=CC=C1 PKCBB_01014 [0,0,0,0,1,0|2,0,1]=4 11 B11R1.91 CC(=O)CCC1=CC=CN=C1 PKCBB_01995 [0,0,0,0,0,1|2,0,0]=3 12 B11R1.91 CC(=O)CCC1=CC=NC=C1 PKCBB_02052 [0,0,0,0,0,1|2,0,0]=3 13 B11R1.91 CC(=O)CCC1=NC=CC=C1 PKCBB_01993 [0,0,0,0,0,1|2,0,0]=3 14 B11R1.91 CC(N)CCC1=CC=CC=C1 PKCBB_00276 [0,0,0,0,0,1|2,0,1]=4 15 B8R1.2 NCC1=CC=CC=C1 PKCBB_01006 [2,0,0,0,0,0|1,0,0]=3 16 B8R1.2 SCC1=CC=NC=C1 PKCBB_02053 [2,0,0,0,0,0|1,1,0]=4 17 B8R1.2 SCC1=NC=CC=C1 PKCBB_02004 [2,0,0,0,0,0|1,1,0]=4 18 B10R1.1 CC1=CC=C(CCN)C=C1 PKCBB_00962 [1,1,0,0,0,0|1,0,1]=4 19 B10R1.1 N#CCC1=CC=C(Br)C=C1 PKCBB_00324 [1,1,0,0,0,0|1,0,1]=4 20 B10R1.1 NCCC1=CC=C(Br)C=C1 PKCBB_02263 [1,1,0,0,0,0|1,0,1]=4 21 B10R1.1 NCCC1=CC=C(Cl)C=C1 PKCBB_00842 [1,1,0,0,0,0|1,0,1]=4 22 B10R1.1 NCCC1=CC=C(F)C=C1 PKCBB_00928 [1,1,0,0,0,0|1,0,1]=4 23 B10R1.4 CC1=C(CCN)C=CC=C1 PKCBB_01011 [1,1,0,0,0,0|1,0,1]=4 24 B10R1.4 NCCC1=C(Br)C=CC=C1 PKCBB_02239 [1,1,0,0,0,0|1,0,1]=4 25 B10R1.4 NCCC1=C(Cl)C=CC=C1 PKCBB_00897 [1,1,0,0,0,0|1,0,1]=4 26 B10R1.4 NCCC1=C(F)C=CC=C1 PKCBB_00902 [1,1,0,0,0,0|1,0,1]=4 27 B10R1.10 CC1=CC=CC(CCN)=C1 PKCBB_00967 [1,1,0,0,0,0|1,0,1]=4 28 B10R1.10 NCCC1=CC(Cl)=CC=C1 PKCBB_00887 [1,1,0,0,0,0|1,0,1]=4 29 B10R1.15 CC(CN)C1=CC=CC=C1 PKCBB_01020 [1,1,0,0,0,0|1,0,1]=4 30 B10R1.15 CCC(N)C1=CC=CC=C1 PKCBB_01016 [1,1,0,0,0,0|1,0,1]=4 31 B10R1.15 N\C(=N\O)C1=CC=CC=C1 PKCBB_00007 [1,1,0,0,0,0|1,0,1]=4 32 B10R1.17 NCCCC1=CC=CC=C1 PKCBB_01019 [1,1,0,0,0,0|1,0,1]=4 33 B10R1.17 NCCOC1=CC=CC=C1 PKCBB_01017 [1,1,0,0,0,0|1,0,1]=4 34 B10R1.113 CC(=O)C1=CC(Cl)=NC=C1 PKCBB_01218 [0,1,0,0,1,0|2,0,0]=4 35 B12R1.34 COC(=O)C(C)C1=CC=CN=C1 PKCBB_01310 [0,2,0,0,0,0|1,0,0]=3 36 B12R1.34 COC(=O)C(C)C1=CC=NC=C1 PKCBB_01213 [0,2,0,0,0,0|1,0,0]=3 37 B12R1.34 COC(=O)C(C)C1=NC=CC=C1 PKCBB_01212 [0,2,0,0,0,0|1,0,0]=3 38 B12R1.371 COC(=O)CC1=CC=CN=C1Cl PKCBB_01217 [0,2,0,0,0,0|1,0,0]=3 39 B8R1.7 CC(=O)C1=CC=CS1 PKCBB_01781 [0,0,0,0,2,0|2,0,0]=4