0  B8R0.28  CN(C)C\C=C\C(=O)O LS41142 [0,0,0,0,0,0|2,0,1]=3
1  B7R0.4  CCC\C=C\C(=O)C LS41924 [1,0,0,0,0,0|0,0,2]=3
2  B7R0.4  CCO\C=C\C(=O)O LS40208 [1,0,0,0,0,0|2,0,1]=4
3  B9R1.35  Cc1ccc(s1)C(=O)O LS20662 [0,0,0,1,0,0|2,0,0]=3
4  B9R1.35  Cc1ncc(s1)C(=O)O LS21069 [0,0,0,1,0,0|3,0,0]=4
5  B9R1.35  c1cc(sc1C(=O)O)Br LS20297 [0,0,0,1,0,0|3,0,0]=4
6  B9R1.35  c1cc(sc1C(=O)O)Cl LS20472 [0,0,0,1,0,0|3,0,0]=4
7  B10R0.3  CC(=CCC\C(=C\C=O)\C)C LS41486 [0,2,0,0,0,0|0,0,2]=4
8  B8R1.1  Cc1ccc(s1)C=O LS20392 [1,0,0,1,0,0|1,0,0]=3
9  B8R1.4  Cc1cc(cnc1)C LS41253 [1,0,0,1,0,0|1,0,1]=4
10  B8R1.4  Cc1cccc(n1)Br LS20561 [1,0,0,1,0,0|2,0,0]=4
11  B8R1.4  Cc1cccc(n1)Cl LS20527 [1,0,0,1,0,0|2,0,0]=4
12  B8R1.7  CC(=O)c1c[nH]cn1 LS20519 [1,0,0,1,0,0|2,0,0]=4
13  B8R1.7  CC(=O)c1cccs1 LS20643 [1,0,0,1,0,0|1,0,0]=3
14  B8R1.7  CC(=O)c1ccsc1 LS20391 [1,0,0,1,0,0|1,0,1]=4
15  B8R1.7  c1cc([nH]c1)C(=O)O LS20064 [1,0,0,1,0,0|2,0,0]=4
16  B8R1.7  c1cc(sc1)C(=O)Cl LS20650 [1,0,0,1,0,0|2,0,0]=4
17  B8R1.7  c1cc(sc1)C(=O)O LS20648 [1,0,0,1,0,0|2,0,0]=4
18  B8R1.7  c1cc(sc1)C(=O)[O-] LS21106 [1,0,0,1,0,0|2,0,0]=4
19  B10R1.113  CC(=O)c1cccc(c1)N LS11527 [0,0,0,1,0,1|1,0,1]=4
20  B10R1.113  CC(=O)c1cccc(n1)Br LS20488 [0,0,0,1,0,1|2,0,0]=4
21  B10R1.113  Cc1ccnc(c1)C(=O)C LS21177 [0,0,0,1,0,1|0,0,1]=3
22  B10R1.13  CC(=O)c1ccc(cc1)Br LS11874 [0,1,0,1,0,0|1,0,1]=4
23  B10R1.13  CC(=O)c1ccc(cc1)F LS11575 [0,1,0,1,0,0|1,0,1]=4
24  B10R1.13  CC(=O)c1ccc(cc1)N LS10360 [0,1,0,1,0,0|1,0,1]=4
25  B10R1.13  CC(=O)c1ccc(cc1)O LS10359 [0,1,0,1,0,0|1,0,1]=4
26  B10R1.13  CC(=O)c1ccc(cn1)Br LS20859 [0,1,0,1,0,0|1,0,1]=4
27  B10R1.13  CC(=O)c1ccc(nc1)Br LS21178 [0,1,0,1,0,0|1,0,1]=4
28  B10R1.13  Cc1ccc(cn1)C(=O)O LS20541 [0,1,0,1,0,0|1,0,1]=4
29  B10R1.13  Cc1ncc(cn1)C(=O)C LS20101 [0,1,0,1,0,0|1,0,1]=4
30  B10R1.14  Cc1cnc(s1)C(=O)OC LS20100 [0,1,0,1,0,0|2,0,0]=4
31  B10R1.14  Cc1csc(n1)C(=O)OC LS40336 [0,1,0,1,0,0|2,0,0]=4