0  B8R0.2  NC(C(C)CC)C(=O)O ACS011489 [0,0,0,0,0,0|1,0,1]=2
1  B8R0.2  O=C([C@H](O)[C@@H](O)CO)O ACS011897 [0,0,0,0,0,0|2,0,2]=4
2  B7R0.2  C(C(CN)O)C(=O)O ACS015779 [1,0,0,0,0,0|2,0,1]=4
3  B7R0.2  NC[C@@H](CC(=O)O)O ACS010827 [1,0,0,0,0,0|2,0,1]=4
4  B7R0.5  C(C(=O)N)(=S)OCC ACS023710 [1,0,0,0,0,0|2,1,0]=4
5  B7R0.5  O[C@@H](C(=O)OCC)C ACS011707 [1,0,0,0,0,0|2,0,1]=4
6  B7R0.16  CC(C)C(C(=O)O)N ACS024385 [1,0,0,0,0,0|1,0,1]=3
7  B7R0.16  CN(C(C(C)C)=O)C ACS015751 [1,0,0,0,0,0|3,0,0]=4
8  B9R1.41  C1CN[C@@H](C1O)C(=O)O ACS011402 [0,0,0,1,0,0|2,0,1]=4
9  B9R1.41  O[C@@H]1[C@@H](NCC1)C(=O)O ACF021298 [0,0,0,1,0,0|2,0,1]=4
10  B9R1.41  O[C@@H]1[C@@H](NCC1)C(=O)O ACF021299 [0,0,0,1,0,0|2,0,1]=4
11  B9R0.42  COC(CC(C(=O)O)=O)=O ACS019340 [0,0,0,0,0,1|2,0,1]=4
12  B6R0.2  CC(=CC(=O)O)C ACS012002 [2,0,0,0,0,0|0,0,1]=3
13  B6R0.3  C(C(C)C)(=O)OC ACS015723 [2,0,0,0,0,0|2,0,0]=4
14  B6R0.3  NC(CO)C(=O)O ACS011404 [2,0,0,0,0,0|2,0,0]=4
15  B6R0.3  N[C@H](CO)C(=O)O ACS011375 [2,0,0,0,0,0|2,0,0]=4
16  B6R0.3  N[C@H](CS)C(=O)O ACS012192 [2,0,0,0,0,0|2,0,0]=4
17  B6R0.3  O=C(C(=O)O)CC ACS023994 [2,0,0,0,0,0|0,0,0]=2
18  B6R0.3  O=C(C(=O)[O-])CC ACS024011 [2,0,0,0,0,0|0,0,1]=3
19  B8R1.34  N1CC(C1)CC(=O)O ACF021017 [1,0,0,1,0,0|1,0,1]=4
20  B8R1.7  N1C(CCC1)C(=O)O ACS015390 [1,0,0,1,0,0|1,0,1]=4
21  B8R1.7  O1C(CCC1)C(=O)O ACS011004 [1,0,0,1,0,0|0,0,2]=4
22  B10R1.113  C[C@H]1C[C@@H](NCC1)C(=O)O ACS023712 [0,0,0,1,0,1|1,0,1]=4