0  B9R1.35  CC(O)C1=CC=C(Cl)S1 CS-0378448 [0,0,0,0,0,0|1,0,2]=3
1  B9R1.35  CC1=CC=C([C@@H](C)O)S1 CS-0266833 [0,0,0,0,0,0|0,0,2]=2
2  B9R1.35  NC(=O)C1=NC(Br)=CS1 CS-0635875 [0,0,0,0,0,0|4,0,0]=4
3  B9R1.35  O=C(O)C1=CN=C(Br)O1 CS-0132105 [0,0,0,0,0,0|3,1,0]=4
4  B8R1.1  COC1=NC=C(I)S1 CS-0120867 [1,0,0,0,0,0|3,0,0]=4
5  B8R1.1  CSC1=NC=C(Br)S1 CS-0242974 [1,0,0,0,0,0|3,0,0]=4
6  B8R1.1  O=CC1=CSC(F)=C1 CS-0185288 [1,0,0,0,0,0|3,0,0]=4
7  B8R1.7  CC(=O)C1=NSC=C1 CS-0567763 [1,0,0,0,0,0|2,0,0]=3
8  B10R1.31  C#CC1=CC=C(C(=O)O)S1 CS-0333864 [0,1,0,0,0,0|1,0,1]=3
9  B10R1.31  CSC1=CC=C(C(N)=O)S1 CS-0235673 [0,1,0,0,0,0|1,0,0]=2
10  B10R1.59  CC1=NC(C)=C(C(N)=O)O1 CS-0375088 [0,1,0,0,0,0|2,1,0]=4
11  B10R1.113  CC1=CC(C(C)O)=NC=C1 CS-0378124 [0,0,0,0,0,1|1,0,2]=4
12  B10R1.113  NC(=O)C1=CC(F)=NC=C1 CS-0375697 [0,0,0,0,0,1|3,0,0]=4
13  B9R1.11  COC(=O)C1=CN=CN1 CS-0043864 [1,1,0,0,0,0|2,0,0]=4
14  B11R1.21  CC(=O)C1=CC(=O)N(C)C=C1 CS-0661544 [0,1,0,0,0,1|2,0,0]=4
15  B11R1.21  CC(=O)C1=CN(C)C(=O)C=C1 CS-0686839 [0,1,0,0,0,1|2,0,0]=4
16  B11R1.21  CC1=CN=C(C(N)=O)C=C1Br CS-0783336 [0,1,0,0,0,1|2,0,0]=4
17  B11R1.22  COC(=O)[13C]1=[13CH][13CH]=[13C](O)[13CH]=[13CH]1 CS-0640731 [0,1,0,0,0,1|2,0,0]=4
18  B11R1.166  CC(=O)C1=C(Cl)N=C(C)C=C1 CS-0666087 [0,1,0,0,0,1|1,0,0]=3
19  B11R1.39  COC(=O)CC1=CN=C(Br)S1 CS-0572529 [0,1,0,0,0,1|2,0,0]=4