0  B6R0.3  CN[C@@H](C)C(N)=O 4077652 [0,0,0,0,0,0|2,0,1]=3
1  B6R0.3  CN[C@H](C)C(N)=O 4076581 [0,0,0,0,0,0|2,0,1]=3
2  B5R0.3  CO[C@@H](C)CO 4031352 [1,0,0,0,0,0|1,0,2]=4
3  B5R0.5  O=C(O)C(=O)O 4034715 [1,0,0,0,0,0|2,0,0]=3
4  B7R0.5  CNCC(C)C(=O)O 4088272 [0,1,0,0,0,0|0,0,2]=3
5  B7R0.10  CNC(=O)[C@@H](C)NC 4058453 [0,1,0,0,0,0|2,0,1]=4
6  B7R0.10  CNC(=O)[C@H](C)NC 4051973 [0,1,0,0,0,0|2,0,1]=4
7  B7R0.10  CN[C@@H](C)C(=O)OC 4063702 [0,1,0,0,0,0|1,0,1]=3
8  B7R0.10  CN[C@H](C)C(=O)OC 4068255 [0,1,0,0,0,0|1,0,1]=3
9  B7R0.13  CC(C)(CN)C(=O)O 4089012 [0,1,0,0,0,0|1,0,2]=4
10  B7R0.16  C[C@@H](C(=O)O)N(C)C 4053971 [0,1,0,0,0,0|1,0,1]=3
11  B7R0.16  C[C@H](C(=O)O)N(C)C 4078952 [0,1,0,0,0,0|1,0,1]=3
12  B7R0.2  CNC(C)CC(=O)O 4090195 [0,0,0,0,0,1|1,0,1]=3
13  B6R0.4  CNCCC(=O)O 4088781 [1,1,0,0,0,0|0,0,2]=4
14  B8R0.16  CCN(CC)CC(=O)O 4088211 [0,1,0,0,0,1|1,0,1]=4
15  B8R0.23  CC(CC(=O)O)N(C)C 4088130 [0,1,0,0,0,1|1,0,1]=4
16  B8R1.18  CC1=C(C)OC(N)=N1 4090608 [0,0,0,1,0,1|1,0,0]=3
17  B8R1.23  O=C(O)C1CC(O)C1 4028966 [0,1,0,1,0,0|0,0,2]=4
18  B8R1.23  O=C(O)[C@H]1C[C@@H](O)C1 4045921 [0,1,0,1,0,0|0,0,2]=4