0  B4R0.1  CC(=O)C=O T19536 [0,0,0,0,0,0|3,0,0]=3
1  B4R0.1  CC(=O)NO T1592 [0,0,0,0,0,0|4,0,0]=4
2  B4R0.1  CNC(=N)N T21215 [0,0,0,0,0,0|4,0,0]=4
3  B4R0.1  CNC(=N)N T4904 [0,0,0,0,0,0|4,0,0]=4
4  B4R0.1  COC(N)=O T2151 [0,0,0,0,0,0|4,0,0]=4
5  B4R0.1  CSC(=N)N T22419 [0,0,0,0,0,0|4,0,0]=4
6  B4R0.1  N=C(N)NN T0358 [0,0,0,0,0,0|4,0,0]=4
7  B4R0.1  NC(=O)NO T0676 [0,0,0,0,0,0|4,0,0]=4
8  B4R0.1  NCC(=O)O T2O2728 [0,0,0,0,0,0|3,0,1]=4
9  B4R0.1  NCC(=O)[O-] T4505 [0,0,0,0,0,0|3,0,1]=4
10  B4R0.1  NCC(=O)[O-] T4512 [0,0,0,0,0,0|3,0,1]=4
11  B4R0.1  NCC(N)=O T3127 [0,0,0,0,0,0|3,0,1]=4
12  B4R0.1  NNC(N)=O T1732 [0,0,0,0,0,0|4,0,0]=4
13  B4R0.1  O=C(O)CO T5985 [0,0,0,0,0,0|3,0,1]=4
14  B4R0.1  O=C([O-])CS T8530 [0,0,0,0,0,0|3,0,1]=4
15  B4R0.1  O=C([O-])C[O-] T2410 [0,0,0,0,0,0|3,0,1]=4
16  B4R0.1  O=CC(=O)O T16356 [0,0,0,0,0,0|3,0,0]=3
17  B4R0.1  O=CC(=O)O T4843 [0,0,0,0,0,0|3,0,0]=3
18  B3R0.2  CC(=O)[O-] T8129 [1,0,0,0,0,0|2,0,1]=4
19  B3R0.2  CC(=O)[S-] T22402 [1,0,0,0,0,0|2,0,1]=4
20  B3R0.2  CC(N)=O T7445 [1,0,0,0,0,0|2,0,1]=4
21  B3R0.2  Cl[Gd](Cl)Cl T22795 [1,0,0,0,0,0|1,0,0]=2
22  B3R0.2  Cl[La](Cl)Cl T22353 [1,0,0,0,0,0|1,0,0]=2
23  B3R0.2  N=C(N)N T0415 [1,0,0,0,0,0|3,0,0]=4
24  B3R0.2  NC(N)=O T0738 [1,0,0,0,0,0|3,0,0]=4
25  B3R0.2  O=C([O-])[O-] T3249 [1,0,0,0,0,0|3,0,0]=4
26  B3R0.2  O=C([O-])[O-] T8131 [1,0,0,0,0,0|3,0,0]=4
27  B5R0.1  CC(C)=CCO T4747 [0,1,0,0,0,0|3,0,0]=4
28  B5R0.1  C\C=C\C(=O)O T5301 [0,1,0,0,0,0|3,0,0]=4
29  B5R0.5  CC(=O)C(=O)O T4804 [0,1,0,0,0,0|3,0,0]=4
30  B5R0.5  CC(=O)C(=O)[O-] T7717 [0,1,0,0,0,0|3,0,0]=4
31  B5R0.5  O=C(O)C(=O)O T2O2680 [0,1,0,0,0,0|3,0,0]=4
32  B5R0.5  O=C(O)C(=O)O T5064 [0,1,0,0,0,0|3,0,0]=4
33  B5R0.5  O=C([O-])C(Cl)Cl T3604 [0,1,0,0,0,0|1,0,1]=3
34  B2R0.1  Cl[Pt]Cl T1564 [2,0,0,0,0,0|1,0,0]=3
35  B2R0.1  NC=O T4767 [2,0,0,0,0,0|2,0,0]=4
36  B2R0.1  O=C[O-] T5300 [2,0,0,0,0,0|2,0,0]=4