0  B5R0.1  CCCC(=O)O DB03568 [0,0,0,0,0,0|1,0,2]=3
1  B5R0.1  CNCC(=O)O DB12519 [0,0,0,0,0,0|2,0,1]=3
2  B4R0.1  CC[C@@H](C)O DB02606 [1,0,0,0,0,0|0,0,3]=4
3  B4R0.1  O=C(O)CO DB03085 [1,0,0,0,0,0|2,0,1]=4
4  B6R0.4  NCCCC(=O)O DB02530 [0,1,0,0,0,0|1,0,2]=4
5  B6R0.4  O=C([O-])CCCO DB01440 [0,1,0,0,0,0|1,0,2]=4
6  B3R0.1  CN=C=O DB12765 [2,0,0,0,0,0|1,0,1]=4
7  B3R0.2  CC(=O)[O-] DB00258 [2,0,0,0,0,0|1,0,0]=3
8  B3R0.2  CC(C)O DB02325 [2,0,0,0,0,0|0,0,2]=4
9  B3R0.2  NC(N)=O DB03904 [2,0,0,0,0,0|2,0,0]=4
10  B3R0.2  O=C([O-])[O-] DB06724 [2,0,0,0,0,0|2,0,0]=4
11  B3R0.2  O=C([O-])[O-] DB09481 [2,0,0,0,0,0|2,0,0]=4
12  B3R0.2  O=C([O-])[O-] DB13322 [2,0,0,0,0,0|2,0,0]=4
13  B5R0.5  CC(=O)C(=O)O DB00119 [1,1,0,0,0,0|1,0,0]=3
14  B5R0.5  CC(O)C(=O)[O-] DB13231 [1,1,0,0,0,0|1,0,1]=4
15  B7R0.5  CCOC(=O)C(C)=O DB05869 [0,2,0,0,0,0|0,0,1]=3
16  B7R0.6  O=C(O)\C=C\C(=O)O DB01677 [0,2,0,0,0,0|1,0,1]=4
17  B7R1.2  O=C1CSC(=O)N1 DB11898 [0,1,0,1,0,0|2,0,0]=4
18  B7R1.3  CC1=CC=CC=N1 DB04874 [0,1,0,1,0,0|1,0,1]=4
19  B7R1.4  CN1CCCC1=O DB12521 [0,1,0,1,0,0|0,0,2]=4