0  B9R1.6  C=C(F)C1=CC=CC=C1 CS-0454967 [1,0,0,0,0,0|1,0,1]=3
1  B9R1.6  C[C@H](N)C1=CC=CC=C1 CS-0434925 [1,0,0,0,0,0|1,0,1]=3
2  B9R1.6  O=C([O-])C1=CC=CC=C1 CS-0902642 [1,0,0,0,0,0|0,0,1]=2
3  B11R1.16  CNCC(C)C1=CC=CC=C1 CS-0715918 [0,1,0,0,0,0|2,0,1]=4
4  B11R1.22  CC[C@@H](O)C1=CC=C(Cl)C=C1 CS-1173715 [0,1,0,0,0,0|1,0,2]=4
5  B11R1.22  COC(=O)[13C]1=[13CH][13CH]=[13C](O)[13CH]=[13CH]1 CS-0640731 [0,1,0,0,0,0|0,0,0]=1
6  B11R1.36  C[C@@H](O)[C@@H](N)C1=CC=CC=C1 CS-0747750 [0,1,0,0,0,0|2,0,1]=4
7  B9R1.11  COC(=O)C1=CN=CN1 CS-0043864 [0,0,0,0,1,0|2,0,0]=3
8  B8R1.2  O=CC1=CC=NN=C1 CS-W023111 [2,0,0,0,0,0|2,0,0]=4
9  B10R1.28  CS(=N)(=O)C1=CC=CN=C1 CS-0628376 [1,1,0,0,0,0|2,0,0]=4
10  B10R1.113  C[C@H](N)C1=CC(I)=CC=C1 CS-1198131 [1,1,0,0,0,0|1,0,1]=4
11  B10R1.113  NC(=O)C1=CC(F)=NC=C1 CS-0375697 [1,1,0,0,0,0|2,0,0]=4
12  B10R1.10  COCC1=CC(N)=NC=C1 CS-0532525 [1,1,0,0,0,0|1,0,1]=4
13  B10R1.17  NOCCC1=CC=CC=C1 CS-0337620 [1,1,0,0,0,0|1,0,1]=4
14  B10R1.149  COC(=O)C1=C(Br)N=CO1 CS-0096475 [0,1,0,0,1,0|2,0,0]=4
15  B10R1.149  COC(=O)C1=NSC=C1C CS-0597743 [0,1,0,0,1,0|2,0,0]=4
16  B12R1.49  CCC(=O)OC1=CC=C(O)C=C1 CS-B0171 [0,1,0,0,0,1|1,0,0]=3
17  B12R1.9  CNS(=O)(=O)C1=CC=C(O)C=C1 CS-0437742 [0,2,0,0,0,0|2,0,0]=4
18  B12R1.39  CCO[Si](C)(C)C1=CC=CC=C1 CS-0181948 [0,2,0,0,0,0|1,1,0]=4
19  B12R1.17  CNCC(=O)C1=CC(O)=CC=C1 CS-0377208 [0,2,0,0,0,0|1,0,0]=3
20  B12R1.5  COC(=O)C1=NC=C(C#N)N=C1 CS-0308349 [0,2,0,0,0,0|2,0,0]=4
21  B12R1.354  COC(=O)C1=C(Br)C=CC(F)=N1 CS-0455164 [0,2,0,0,0,0|1,0,0]=3
22  B12R1.354  COC(=O)C1=C(C)C=CC(=O)N1 CS-0752864 [0,2,0,0,0,0|1,0,0]=3
23  B12R1.354  COC(=O)C1=C(N)N=NC(Cl)=C1 CS-0754285 [0,2,0,0,0,0|2,0,0]=4
24  B12R1.354  COC(=O)C1=NC(F)=CC=C1O CS-0564875 [0,2,0,0,0,0|1,0,0]=3
25  B12R1.358  COC(=O)C1=CC(Br)=CC(=O)N1 CS-0620268 [0,2,0,0,0,0|1,0,0]=3
26  B12R1.435  COC(=O)C1=NC=CC(CN)=C1 CS-0615996 [0,2,0,0,0,0|1,0,0]=3
27  B12R2.18  CN1C(=O)NC2=NC=CC=C21 CS-0086354 [0,0,0,1,0,1|2,0,0]=4
28  B12R2.1  CCC1=C2C=CC=CC2=NN1 CS-0665570 [0,1,0,1,0,0|2,0,0]=4
29  B12R2.132  O=C1OCC2=C1C=C(Cl)N=C2 CS-0566944 [0,1,0,1,0,0|1,0,0]=3
30  B12R2.196  O=C1NCC2=C1C=NC=C2Br CS-0340588 [0,1,0,1,0,0|2,0,0]=4
31  B8R1.7  CC(=O)C1=NSC=C1 CS-0567763 [1,0,0,0,1,0|2,0,0]=4