0  B10R1.18  CC(N)CC1=CC=CC=C1 DB00182 [0,0,0,0,0,0|2,0,1]=3
1  B10R1.18  C[C@H](N)CC1=CC=CC=C1 DB01576 [0,0,0,0,0,0|2,0,1]=3
2  B10R1.18  O=C(O)CC1=CC=CC=C1 DB09269 [0,0,0,0,0,0|0,0,0]=0
3  B11R1.20  CC(=O)NC1=CC=C(O)C=C1 DB00316 [0,1,0,0,0,0|2,0,0]=3
4  B11R1.20  CC(N)CC1=CC=C(O)C=C1 DB09352 [0,1,0,0,0,0|2,0,1]=4
5  B11R1.36  C[C@@H](N)[C@@H](O)C1=CC=CC=C1 DB00397 [0,1,0,0,0,0|2,0,1]=4
6  B11R1.40  CN[C@@H](C)CC1=CC=CC=C1 DB01577 [0,1,0,0,0,0|2,0,1]=4
7  B11R1.40  CN[C@H](C)CC1=CC=CC=C1 DB09571 [0,1,0,0,0,0|2,0,1]=4
8  B11R1.509  CC(C)(N)CC1=CC=CC=C1 DB00191 [0,1,0,0,0,0|2,0,1]=4
9  B11R2.4  NC1CC1C2=CC=CC=C2 DB00752 [0,0,0,1,0,0|2,0,1]=4
10  B9R1.6  NC(=O)C1=CC=CN=C1 DB02701 [0,0,0,0,1,0|2,0,0]=3
11  B9R1.6  NC(=O)C1=NC=CN=C1 DB00339 [0,0,0,0,1,0|3,0,0]=4
12  B9R1.6  O=C(O)C1=CC=CC=C1 DB03793 [0,0,0,0,1,0|0,0,0]=1
13  B9R1.6  O=C(O)C1=CN=CC=C1 DB00627 [0,0,0,0,1,0|1,0,0]=2
14  B9R1.6  O=C([O-])C1=CC=CC=N1 DB11175 [0,0,0,0,1,0|1,0,1]=3
15  B8R1.2  OCC1=CC=CC=C1 DB06770 [2,0,0,0,0,0|0,0,0]=2
16  B10R1.17  NNCCC1=CC=CC=C1 DB00780 [1,1,0,0,0,0|1,0,1]=4
17  B10R1.17  OCCOC1=CC=CC=C1 DB11304 [1,1,0,0,0,0|0,0,1]=3
18  B10R1.13  NC1=CC=C(C(=O)O)C=C1 DB02362 [0,1,0,0,1,0|0,0,0]=2
19  B10R1.61  NC(=O)C1=CC=CC=C1O DB08797 [0,1,0,0,1,0|1,0,0]=3
20  B10R1.61  O=C(O)C1=CC=CC=C1O DB00936 [0,1,0,0,1,0|0,0,0]=2
21  B10R1.61  O=C(O)C1=CC=CC=C1O DB11079 [0,1,0,0,1,0|0,0,0]=2
22  B10R1.61  O=C([O-])C1=CC=CC=C1O DB01397 [0,1,0,0,1,0|0,0,1]=3
23  B10R1.61  O=C([O-])C1=CC=CC=C1O DB01401 [0,1,0,0,1,0|0,0,1]=3
24  B10R1.61  O=C([O-])C1=CC=CC=C1O DB14006 [0,1,0,0,1,0|0,0,1]=3
25  B12R1.43  N[C@@H](CC1=CC=CC=C1)C(=O)O DB00120 [0,1,0,0,0,1|0,0,0]=2
26  B12R1.226  N=C(N)NCC1=CC([123I])=CC=C1 DB09546 [0,1,0,0,0,1|2,0,0]=4
27  B12R1.226  NC(N)=NCC1=CC(I)=CC=C1 DB06704 [0,1,0,0,0,1|2,0,0]=4
28  B12R2.606  O=C1NC2=C(C=CC(Cl)=C2)O1 DB00356 [0,1,0,1,0,0|1,0,0]=3
29  B12R1.252  O=C(O)CCCC1=CC=CC=C1 DB06819 [0,0,0,0,0,2|0,0,0]=2