0 B12R1.77 CCC(N)C1=C(OC)C=CC=C1 PKCBB_01039 [0,0,0,0,0,0|2,0,1]=3 1 B12R1.77 COC1=C(C(C)CN)C=CC=C1 PKCBB_01043 [0,0,0,0,0,0|3,0,1]=4 2 B12R1.77 COC1=C(\C(N)=N\O)C=CC=C1 PKCBB_01699 [0,0,0,0,0,0|3,0,0]=3 3 B11R1.41 COC1=C(CCN)C=CC=C1 PKCBB_01044 [1,0,0,0,0,0|2,0,1]=4 4 B11R1.53 COC1=C(C(C)N)C=CC=C1 PKCBB_01048 [1,0,0,0,0,0|1,0,1]=3 5 B11R1.222 CC1=C(\C(N)=N/O)C=CC=C1 PKCBB_00010 [1,0,0,0,0,0|3,0,0]=4 6 B11R1.222 CCC(N)C1=C(C)C=CC=C1 PKCBB_01669 [1,0,0,0,0,0|2,0,1]=4 7 B13R2.91 COC1=C(C2(N)CC2)C=CC=C1 PKCBB_01050 [0,0,0,1,0,0|2,0,1]=4 8 B10R1.20 COC1=C(CN)C=CC=C1 PKCBB_01049 [2,0,0,0,0,0|1,0,1]=4 9 B10R1.61 CC(N)C1=CC=CC=C1O PKCBB_00434 [2,0,0,0,0,0|1,0,1]=4 10 B10R1.61 CC1=C(C(C)N)C=CC=C1 PKCBB_01012 [2,0,0,0,0,0|1,0,1]=4 11 B12R1.121 COC1=C(CCCN)C=CC=C1 PKCBB_01041 [1,1,0,0,0,0|1,0,1]=4 12 B12R1.121 COC1=C(OCCN)C=CC=C1 PKCBB_00854 [1,1,0,0,0,0|2,0,0]=4 13 B12R1.76 COC1=C(C(C)(C)N)C=CC=C1 PKCBB_01046 [1,1,0,0,0,0|1,0,1]=4