0  B5R1.3  C1C(O1)CCl A2Z00093491 [0,1,0,0,0,0|0,0,0]=1
1  B3R0.1  C#CCO A2Z00096413 [0,0,1,0,0,0|0,0,2]=3
2  B3R0.1  C(=N\O)/N A2Z00096515 [0,0,1,0,0,0|2,0,1]=4
3  B3R0.1  C(C#N)Cl A2Z00093485 [0,0,1,0,0,0|2,0,1]=4
4  B3R0.1  C(CS)N A2Z00095999 [0,0,1,0,0,0|1,1,0]=3
5  B3R0.1  C=CCBr A2Z00093514 [0,0,1,0,0,0|1,0,2]=4
6  B3R0.1  CCCBr A2Z00093521 [0,0,1,0,0,0|1,0,0]=2
7  B3R0.1  CCCN A2Z00093482 [0,0,1,0,0,0|1,0,0]=2
8  B3R0.2  CC(C)Br A2Z00093522 [0,0,1,0,0,0|1,0,0]=2
9  B3R0.2  CC(C)N A2Z00093481 [0,0,1,0,0,0|1,0,0]=2
10  B3R0.2  CN(C)N A2Z00049168 [0,0,1,0,0,0|2,0,0]=3
11  B5R1.2  C1C(=O)CO1 A2Z00096164 [0,0,0,0,0,1|1,0,1]=3
12  B5R1.2  C1C(CN1)O A2Z00050204 [0,0,0,0,0,1|2,0,0]=3
13  B5R1.2  C1C(CO1)O A2Z00096297 [0,0,0,0,0,1|1,0,0]=2
14  B2R0.1  C(Br)Br A2Z00093572 [1,0,1,0,0,0|2,0,0]=4
15  B2R0.1  CC=O A2Z00093597 [1,0,1,0,0,0|0,0,2]=4
16  B2R0.1  CON A2Z00047974 [1,0,1,0,0,0|1,0,0]=3
17  B4R0.1  CC(=O)CO A2Z00094832 [0,1,1,0,0,0|0,0,1]=3
18  B4R0.1  CC(C)CBr A2Z00038648 [0,1,1,0,0,0|1,0,0]=3
19  B4R0.1  CCC(=O)N A2Z00097941 [0,1,1,0,0,0|0,0,2]=4
20  B4R0.1  COC(=O)Cl A2Z00093492 [0,1,1,0,0,0|1,0,1]=4
21  B4R0.1  C[C@@H](CO)N A2Z00045067 [0,1,1,0,0,0|0,0,0]=2
22  B4R0.2  C(C#N)ON A2Z00070420 [0,1,1,0,0,0|1,0,1]=4
23  B4R0.2  C(CBr)CBr A2Z00093585 [0,1,1,0,0,0|1,0,0]=3
24  B4R0.2  C(CON)O A2Z00048270 [0,1,1,0,0,0|1,0,0]=3
25  B4R0.2  C(CS)C#N A2Z00070143 [0,1,1,0,0,0|0,1,1]=4
26  B4R0.2  CCCCBr A2Z00093542 [0,1,1,0,0,0|1,0,0]=3
27  B4R0.2  CCCCN A2Z00093484 [0,1,1,0,0,0|1,0,0]=3
28  B4R0.2  CNCCCl A2Z00094137 [0,1,1,0,0,0|1,0,0]=3
29  B4R0.2  COCON A2Z00070421 [0,1,1,0,0,0|1,0,0]=3
30  B6R1.3  C1CC1N=C=O A2Z00046533 [0,2,0,0,0,0|1,0,1]=4
31  B6R1.11  C1CC1C(=O)Cl A2Z00095908 [0,2,0,0,0,0|1,0,1]=4
32  B6R1.2  C1CC(=O)OC1 A2Z00038638 [0,0,0,0,0,2|1,0,1]=4
33  B6R1.2  C1CCC(C1)N A2Z00093486 [0,0,0,0,0,2|2,0,0]=4
34  B6R1.2  C1CCC(C1)O A2Z00093488 [0,0,0,0,0,2|2,0,0]=4
35  B6R1.2  C1COC(=O)N1 A2Z00096076 [0,0,0,0,0,2|1,0,1]=4