0  B7R0.6  CC(=O)NCC(=O)O AB-131/40177771 [0,0,0,0,0,0|1,0,0]=1
1  B6R0.4  O=CNCC(=O)O AH-034/32838045 [1,0,0,0,0,0|1,0,0]=2
2  B8R1.3  O=C1CCS(=O)CC1 AN-308/25123005 [0,0,0,1,0,0|2,0,0]=3
3  B8R1.3  O=C1CNC(=O)CN1 AC-907/30002028 [0,0,0,1,0,0|2,0,0]=3
4  B8R1.3  O=C1COC(=O)CN1 AO-125/25086006 [0,0,0,1,0,0|1,0,0]=2
5  B6R0.2  CC(C)=CC(=O)O AE-848/32066036 [0,0,0,0,1,0|1,0,1]=3
6  B6R0.2  NC(=O)C[N+](=O)[O-] AG-205/25011020 [0,0,0,0,1,0|2,0,1]=4
7  B5R0.1  C\C(N)=C/C=O AJ-333/25022116 [2,0,0,0,0,0|1,0,1]=4
8  B7R0.4  C\C=C\C=C\C(=O)O AN-651/40229308 [1,1,0,0,0,0|0,0,2]=4
9  B7R0.5  CSCC(N)C(=O)O AO-800/41069568 [1,1,0,0,0,0|1,0,0]=3
10  B7R0.16  C\C(Br)=C(/C)C(=O)O AI-942/25121055 [0,1,0,0,1,0|1,0,1]=4
11  B7R0.16  NC(=O)C(N)C(N)=O AC-907/25014009 [0,1,0,0,1,0|2,0,0]=4
12  B9R0.53  O=C(O)\C=C(\Cl)CC(=O)O AK-564/25068019 [0,1,0,0,0,1|1,0,1]=4
13  B7R1.18  O=C(O)C1CCC1 AJ-190/40848564 [1,0,0,1,0,0|0,0,1]=3
14  B9R1.35  O=C1CC(C(=O)O)CS1 AP-836/41220349 [0,0,0,1,0,1|0,0,0]=2
15  B9R1.35  O=C1CCC(C(=O)O)C1 AJ-190/25036001 [0,0,0,1,0,1|0,0,0]=2
16  B9R1.35  O=C1CCC(C(=O)O)N1 AG-205/32710031 [0,0,0,1,0,1|1,0,0]=3