0  B5R0.1  CC(N)CCO B039558 [0,0,0,0,0,0|1,0,2]=3
1  B4R0.1  C#CC(=C)C B048766 [1,0,0,0,0,0|0,0,3]=4
2  B4R0.1  CSC(=N)N B022644 [1,0,0,0,0,0|3,0,0]=4
3  B4R0.1  OCC(F)F B019710 [1,0,0,0,0,0|2,0,1]=4
4  B6R0.1  CCNC(C)CO B039551 [0,1,0,0,0,0|2,0,1]=4
5  B6R0.1  CNC(C)CCO B039563 [0,1,0,0,0,0|0,0,2]=3
6  B6R0.3  CC(CN)N(C)C B039581 [0,1,0,0,0,0|2,0,1]=4
7  B6R1.2  CC1=CNN=C1 B014452 [0,0,0,1,0,0|2,0,1]=4
8  B6R1.2  CC1=NNC=C1 B022230 [0,0,0,1,0,0|2,0,1]=4
9  B6R1.2  NC1=CCNN1 B029440 [0,0,0,1,0,0|3,0,0]=4
10  B5R0.3  CC\C(N)=N\O B030359 [1,1,0,0,0,0|2,0,0]=4
11  B5R0.5  CC(=O)C(F)F B016253 [1,1,0,0,0,0|2,0,0]=4
12  B5R0.2  CCSCCO B049702 [1,1,0,0,0,0|0,0,2]=4
13  B7R0.2  CC(CO)CN(C)C B039565 [0,2,0,0,0,0|1,0,1]=4
14  B7R0.3  CCN(C)CCCO B039576 [0,2,0,0,0,0|1,0,1]=4
15  B7R0.5  CC(CCO)N(C)C B039575 [0,2,0,0,0,0|0,0,2]=4
16  B7R0.7  CCNC(C)CCO B039584 [0,2,0,0,0,0|0,0,2]=4
17  B5R1.3  NCC1CC1 B041362 [1,0,0,1,0,0|1,0,1]=4
18  B7R1.1  ClCC1=NOC=C1 B049730 [0,1,0,1,0,0|1,0,1]=4
19  B7R1.2  CC1=NOC(N)=C1 B030049 [0,1,0,1,0,0|1,0,1]=4
20  B7R1.4  CC1=CC=NN1C B006758 [0,1,0,1,0,0|1,0,1]=4
21  B7R1.4  CC1=CN=CN1C B051897 [0,1,0,1,0,0|2,0,0]=4