0 B11R2.36 CC1=NC2=C(CCC2)N=C1 HMDB0037148 [0,0,0,0,0,0|3,0,0]=3 1 B11R2.36 CC1=NC=C2CSCC2=N1 HMDB0041565 [0,0,0,0,0,0|0,0,0]=0 2 B12R2.100 CC1=NC2=C(CCC2)N=C1C HMDB0036142 [0,1,0,0,0,0|3,0,0]=4 3 B12R2.606 CC1CC2=C(C1)N=C(C)C=N2 HMDB0039832 [0,1,0,0,0,0|3,0,0]=4 4 B12R2.612 CC1CCC2=C1N=CC(C)=N2 HMDB0039831 [0,1,0,0,0,0|3,0,0]=4 5 B10R1.1 CCCC1=NC=C(C)N=C1 HMDB0040000 [0,0,1,0,0,0|3,0,0]=4 6 B10R1.25 CCC1=C(C)N=C(C)C=N1 HMDB0040299 [0,0,1,0,0,0|3,0,0]=4 7 B10R1.30 CCC1=NC(C)=CN=C1C HMDB0032276 [0,0,1,0,0,0|3,0,0]=4 8 B10R2.32 CC1=C2SCCC2=CO1 HMDB0032922 [0,0,0,0,1,0|3,0,0]=4 9 B9R1.1 CCC1=CN=C(C)C=C1 HMDB0029729 [1,0,1,0,0,0|1,0,0]=3 10 B9R1.1 CCC1=NC=C(C)N=C1 HMDB0041568 [1,0,1,0,0,0|2,0,0]=4 11 B9R1.1 CSC1=NC=C(C)N=C1 HMDB0040060 [1,0,1,0,0,0|2,0,0]=4 12 B9R1.8 CCCC1=CC=CC=N1 HMDB0032497 [1,0,1,0,0,0|2,0,0]=4 13 B9R1.8 CSCC1=CC=CC=C1 HMDB0031314 [1,0,1,0,0,0|2,0,0]=4 14 B9R1.2 CCC1=CN=CC(C)=N1 HMDB0041569 [1,0,1,0,0,0|2,0,0]=4 15 B9R1.2 CSC1=CN=CC(C)=N1 HMDB0040061 [1,0,1,0,0,0|2,0,0]=4 16 B9R1.69 CC1=NC(C)=C(C)N=C1 HMDB0031844 [1,0,1,0,0,0|2,0,0]=4 17 B13R2.328 CC1=NC2=C(CCCC2)C(C)=C1 HMDB0029708 [0,1,0,0,0,1|2,0,0]=4 18 B9R1.7 CCCC1=CN=C(C)O1 HMDB0037860 [0,0,1,0,1,0|2,0,0]=4 19 B9R1.7 CCCC1=COC(C)=N1 HMDB0037853 [0,0,1,0,1,0|2,0,0]=4 20 B9R1.22 CCC1=C(C)N=C(C)O1 HMDB0037867 [0,0,1,0,1,0|2,0,0]=4 21 B9R1.22 CCC1=C(C)N=C(C)S1 HMDB0040070 [0,0,1,0,1,0|2,0,0]=4 22 B9R1.22 CCC1=C(C)OC(C)=N1 HMDB0037866 [0,0,1,0,1,0|2,0,0]=4 23 B9R1.22 CCC1=C(C)SC(C)=N1 HMDB0040069 [0,0,1,0,1,0|2,0,0]=4