0  B8R1.50  CC1C(=NNC1=O)C bc232vp1 [0,0,0,0,0,0|3,0,1]=4
1  B8R1.50  Cc1c([nH]nc1C)C nh016 [0,0,0,0,0,0|4,0,0]=4
2  B7R1.2  Cc1c[nH]c(=O)[nH]1 ct260 [1,0,0,0,0,0|3,0,0]=4
3  B7R1.2  Cc1cc(cs1)N un070de2 [1,0,0,0,0,0|1,1,1]=4
4  B7R1.4  Cc1cscc1N un070de3 [1,0,0,0,0,0|3,0,0]=4
5  B9R1.27  Cc1c(c(no1)N)C#N a079vp1fp2de5 [0,1,0,0,0,0|3,0,0]=4
6  B9R1.106  CC1(C(=O)COC1=O)C un239 [0,1,0,0,0,0|2,0,1]=4
7  B9R1.3  Cc1c(c(=O)nc[nH]1)Cl ct360fp2 [0,0,0,0,0,1|2,0,1]=4
8  B9R1.3  Cc1c(c(=O)nc[nH]1)I ct360fp1 [0,0,0,0,0,1|2,0,1]=4
9  B9R1.69  Cc1cc(c(nc1)C)O cdp254de3 [0,0,0,0,0,1|2,0,1]=4
10  B9R1.69  Cc1cc(c(nc1)N)O cdp244fp3 [0,0,0,0,0,1|3,0,0]=4
11  B9R1.69  Cc1ccc(nc1O)C a006de15 [0,0,0,0,0,1|2,0,1]=4
12  B9R1.69  Cc1cnc(cc1O)O ct010vp1fp5 [0,0,0,0,0,1|2,0,1]=4
13  B6R0.1  CC\C(=C\CO)\C bclit001de5lit6 [1,0,1,0,0,0|1,0,1]=4
14  B6R0.4  CNCCC(=O)O tv011 [1,0,1,0,0,0|2,0,0]=4
15  B6R0.3  C(C(=O)C(=O)O)S jmc104 [1,0,1,0,0,0|1,1,0]=4
16  B8R1.1  c1c(o[nH]c1=O)CN un227 [1,1,0,0,0,0|1,0,0]=3
17  B8R1.11  CC1=C(CCC1)CO bclit001de5lit14 [1,1,0,0,0,0|1,0,1]=4
18  B8R0.23  CC(=O)CC(=O)C(=O)O bio030 [0,0,1,0,0,1|1,0,1]=4