0  B5R0.1  CCSC(=N)N AE-641/00560030 [0,0,0,0,0,0|4,0,0]=4
1  B4R0.1  NCC(=O)O AB-131/40217813 [1,0,0,0,0,0|1,0,0]=2
2  B6R0.1  CCNC(=O)CN AS-787/43399854 [0,1,0,0,0,0|3,0,0]=4
3  B6R0.1  CNCC(=O)OC AO-181/25113008 [0,1,0,0,0,0|2,0,0]=3
4  B6R0.1  N#CCC(=O)NN AC-907/25014397 [0,1,0,0,0,0|2,0,1]=4
5  B6R0.2  CC(C)=CC(=O)O AE-848/32066036 [0,1,0,0,0,0|1,0,2]=4
6  B6R0.2  NC(=O)C[N+](=O)[O-] AG-205/25011020 [0,1,0,0,0,0|2,1,0]=4
7  B6R0.4  O=CNCC(=O)O AH-034/32838045 [0,1,0,0,0,0|0,1,1]=3
8  B7R0.3  CCSCC(=O)NN AE-641/40262190 [0,2,0,0,0,0|2,0,0]=4
9  B7R0.5  CSCC(N)C(=O)O AO-800/41069568 [0,2,0,0,0,0|0,0,0]=2
10  B7R0.13  CC(C)(CBr)C(=O)O AQ-917/42754027 [0,2,0,0,0,0|1,0,0]=3
11  B7R0.13  CC(C)(CO)C(=O)O AQ-917/40987623 [0,2,0,0,0,0|0,1,0]=3
12  B7R0.13  CCC(C)(O)C(=O)O AB-131/40897105 [0,2,0,0,0,0|1,0,0]=3
13  B7R0.6  CC(=O)NCC(=O)O AB-131/40177771 [0,2,0,0,0,0|0,1,1]=4
14  B7R1.1  ON=C1CCCC1 AH-034/32464031 [0,1,0,1,0,0|2,0,0]=4
15  B7R1.1  O\N=C1/CCCN1 AG-664/25003377 [0,1,0,1,0,0|2,0,0]=4
16  B7R1.3  OC1CCSCC1 AE-641/30104027 [0,1,0,1,0,0|1,0,1]=4
17  B7R1.4  NC1CCOC1=O AR-527/43171946 [0,1,0,1,0,0|1,0,0]=3
18  B7R1.18  O=C(O)C1CCC1 AJ-190/40848564 [0,1,0,1,0,0|1,0,0]=3