0  B5R0.1  C\C(N)=C/C=O AJ-333/25022116 [0,0,0,0,0,0|3,0,0]=3
1  B4R0.1  NCC(=O)O AB-131/40217813 [1,0,0,0,0,0|2,0,1]=4
2  B6R0.1  CCNC(=O)CN AS-787/43399854 [0,1,0,0,0,0|1,0,2]=4
3  B6R0.1  CNCC(=O)OC AO-181/25113008 [0,1,0,0,0,0|2,0,1]=4
4  B6R0.2  CC(C)=CC(=O)O AE-848/32066036 [0,1,0,0,0,0|2,0,1]=4
5  B6R0.4  O=CNCC(=O)O AH-034/32838045 [0,1,0,0,0,0|3,0,0]=4
6  B6R1.2  CC1=CN=CN1 AL-398/25017073 [0,0,0,1,0,0|3,0,0]=4
7  B6R1.2  NC1=NC=CN1 AL-398/25017027 [0,0,0,1,0,0|3,0,0]=4
8  B6R1.2  NC1=NC=CO1 AN-584/43408342 [0,0,0,1,0,0|2,0,0]=3
9  B6R1.2  NC1=NC=CS1 AB-601/30915002 [0,0,0,1,0,0|2,1,0]=4
10  B6R1.2  O=C1NC=CN1 AK-564/25068002 [0,0,0,1,0,0|2,0,0]=3
11  B6R1.2  SC1=NC=CN1 AP-836/41220351 [0,0,0,1,0,0|2,1,0]=4
12  B7R0.4  C\C=C\C=C\C(=O)O AN-651/40229308 [0,2,0,0,0,0|2,0,0]=4
13  B7R0.6  CC(=O)NCC(=O)O AB-131/40177771 [0,2,0,0,0,0|1,0,1]=4
14  B5R1.1  C1=COC=N1 AA-511/25015522 [1,0,0,1,0,0|1,0,0]=3
15  B7R1.1  CNC1=NC=CS1 AN-584/41682965 [0,1,0,1,0,0|1,1,0]=4
16  B7R1.1  OCC1=NC=CN1 AR-527/43293956 [0,1,0,1,0,0|2,0,0]=4
17  B7R1.2  C=C1CNC(=S)S1 AE-641/30206015 [0,1,0,1,0,0|0,2,0]=4
18  B7R1.2  CC1=CNC(C)=N1 AC-907/25014081 [0,1,0,1,0,0|2,0,0]=4
19  B7R1.2  NC1=NC(=O)CS1 AE-641/00665038 [0,1,0,1,0,0|2,0,0]=4
20  B7R1.2  O=C1NC(O)=CS1 AC-907/30002002 [0,1,0,1,0,0|1,1,0]=4
21  B7R1.4  CN1C=CN=C1I AG-777/25006424 [0,1,0,1,0,0|2,0,0]=4
22  B7R1.4  CN1C=CN=C1N AE-848/31013002 [0,1,0,1,0,0|2,0,0]=4
23  B7R1.4  NC1CCOC1=O AR-527/43171946 [0,1,0,1,0,0|0,0,2]=4