0  B6R0.3  CN[C@@H](C)C(N)=O 4077652 [0,0,0,0,0,0|4,0,0]=4
1  B6R0.3  CN[C@H](C)C(N)=O 4076581 [0,0,0,0,0,0|4,0,0]=4
2  B5R0.3  C=CC(O)CN 4055871 [1,0,0,0,0,0|3,0,0]=4
3  B5R0.5  CC(O)C(=N)N 4089130 [1,0,0,0,0,0|3,0,0]=4
4  B5R0.5  C[C@@H](O)C(=N)N 4060246 [1,0,0,0,0,0|3,0,0]=4
5  B5R0.5  C[C@H](O)C(=N)N 4057094 [1,0,0,0,0,0|3,0,0]=4
6  B5R0.5  O=C(O)C(=O)O 4034715 [1,0,0,0,0,0|1,1,1]=4
7  B7R0.5  CNCC(C)C(=O)O 4088272 [0,1,0,0,0,0|2,0,0]=3
8  B7R0.10  CCC(N)C(=O)NC 4090715 [0,1,0,0,0,0|2,0,0]=3
9  B7R0.10  CNC(=O)C(C)CN 4089454 [0,1,0,0,0,0|3,0,0]=4
10  B7R0.10  CN[C@@H](C)C(=O)OC 4063702 [0,1,0,0,0,0|3,0,0]=4
11  B7R0.10  CN[C@H](C)C(=O)OC 4068255 [0,1,0,0,0,0|3,0,0]=4
12  B7R0.13  CC(C)(CN)C(=O)O 4089012 [0,1,0,0,0,0|2,0,0]=3
13  B7R0.16  C[C@@H](C(=O)O)N(C)C 4053971 [0,1,0,0,0,0|3,0,0]=4
14  B7R0.16  C[C@H](C(=O)O)N(C)C 4078952 [0,1,0,0,0,0|3,0,0]=4
15  B7R1.4  NC1CCNC1=O 4019954 [0,0,0,1,0,0|2,0,0]=3
16  B7R1.4  N[C@@H]1CCNC1=O 4101224 [0,0,0,1,0,0|2,0,0]=3
17  B7R1.4  N[C@H]1CCNC1=O 4107612 [0,0,0,1,0,0|2,0,0]=3
18  B7R1.4  N[C@H]1COC[C@H]1O 4044721 [0,0,0,1,0,0|1,1,1]=4
19  B7R0.2  CNC(C)CC(=O)O 4090195 [0,0,0,0,0,1|3,0,0]=4
20  B6R0.2  CC(=O)CC(C)N 4022442 [1,1,0,0,0,0|2,0,0]=4
21  B6R0.2  CC(=O)CC(C)N 4089784 [1,1,0,0,0,0|2,0,0]=4
22  B6R0.4  CNCCC(=O)O 4088781 [1,1,0,0,0,0|1,0,0]=3
23  B6R0.4  CNCCC(N)=O 4090391 [1,1,0,0,0,0|2,0,0]=4
24  B6R0.7  CC(O)C(C)(C)N 4021798 [1,1,0,0,0,0|1,0,1]=4
25  B8R0.23  CC(C)C(N)CC(=O)O 3020223 [0,1,0,0,0,1|1,0,0]=3
26  B8R0.23  CC(C)[C@H](N)CC(=O)O 4106166 [0,1,0,0,0,1|1,0,0]=3
27  B8R0.3  CCOC(=O)C(N)CO 3020297 [0,2,0,0,0,0|0,1,0]=3
28  B8R0.3  COC(=O)[C@@H](N)CSC 4090948 [0,2,0,0,0,0|0,0,0]=2
29  B6R1.2  OC1CCSC1 4030923 [1,0,0,1,0,0|1,0,1]=4
30  B6R1.4  N[C@H]1CC[C@@H]1O 4071120 [1,0,0,1,0,0|1,0,1]=4
31  B6R1.4  N[C@H]1CC[C@H]1O 4068939 [1,0,0,1,0,0|1,0,1]=4
32  B8R1.5  NC1CCCNC1=O 4089547 [0,1,0,1,0,0|2,0,0]=4
33  B8R1.23  O=C(O)C1CC(O)C1 4028966 [0,1,0,1,0,0|1,1,0]=4
34  B8R1.23  O=C(O)[C@H]1C[C@@H](O)C1 4045921 [0,1,0,1,0,0|1,1,0]=4