0  B5R0.3  C#CC(=O)OC SB01817 [0,0,0,0,0,0|1,0,2]=3
1  B5R0.3  CCC(C)CN SB01376 [0,0,0,0,0,0|2,0,2]=4
2  B5R0.3  C\C(C=O)=C/N RH01431 [0,0,0,0,0,0|3,0,1]=4
3  B4R0.1  CSC(=N)N KM00619 [1,0,0,0,0,0|3,0,0]=4
4  B4R0.1  NC(=O)CS GK00437 [1,0,0,0,0,0|2,0,0]=3
5  B6R0.1  CCC\C(N)=N\O MO07267 [0,1,0,0,0,0|3,0,0]=4
6  B6R0.3  CC(C)\C(N)=N\O MO07460 [0,1,0,0,0,0|3,0,0]=4
7  B6R1.2  BrC1=CC=CO1 CC02010 [0,0,0,1,0,0|2,0,1]=4
8  B6R1.2  IC1=NNC=C1 NP44481 [0,0,0,1,0,0|3,0,0]=4
9  B6R1.2  O=C1CCOC1 MO08444 [0,0,0,1,0,0|1,0,1]=3
10  B5R0.5  CC(C)C(=N)N RF02291 [1,1,0,0,0,0|2,0,0]=4
11  B7R0.2  COC(=O)C[C@@H](C)O SB01506 [0,2,0,0,0,0|1,0,1]=4
12  B7R0.14  CC(C)(C)C(=O)CBr CD08380 [0,2,0,0,0,0|1,0,1]=4
13  B7R1.1  NCC1=CN=CS1 MO08602 [0,1,0,1,0,0|1,1,0]=4
14  B7R1.1  NCC1=CSC=C1 CC13113 [0,1,0,1,0,0|1,1,0]=4
15  B7R1.1  NCC1=NC=CS1 CC09513 [0,1,0,1,0,0|1,1,0]=4
16  B7R1.1  O=CC1=CC=CN1 CC08704 [0,1,0,1,0,0|1,0,1]=4
17  B7R1.1  OCC1=NC=CN1 CC08909 [0,1,0,1,0,0|2,0,0]=4
18  B7R1.1  OCC1=NC=CS1 CC09509 [0,1,0,1,0,0|1,1,0]=4
19  B7R1.2  CN1C=CC(Cl)=N1 MO08357 [0,1,0,1,0,0|2,0,0]=4
20  B7R1.2  CN1C=CC(I)=N1 CC48311 [0,1,0,1,0,0|2,0,0]=4
21  B7R1.2  CN1C=CC(N)=N1 GK00321 [0,1,0,1,0,0|2,0,0]=4
22  B7R1.2  NC1=NC(=O)CS1 RH00879 [0,1,0,1,0,0|2,0,0]=4
23  B7R1.3  O=C1CCOCC1 SB01650 [0,1,0,1,0,0|0,0,2]=4
24  B7R1.4  CC1OCCC1=O SB01113 [0,1,0,1,0,0|0,0,2]=4
25  B7R1.4  CN1N=CC=C1I CC62311 [0,1,0,1,0,0|2,0,0]=4
26  B7R1.4  CN1N=CC=C1N GK03066 [0,1,0,1,0,0|2,0,0]=4