0  B5R0.3  C=C(CC)CN 4074283 [0,0,0,0,0,0|3,0,0]=3
1  B5R0.3  CNC(=O)CN 4089909 [0,0,0,0,0,0|3,0,0]=3
2  B5R0.3  CO[C@@H](C)CO 4031352 [0,0,0,0,0,0|3,0,1]=4
3  B4R0.1  N=C(N)CF 4088189 [1,0,0,0,0,0|3,0,0]=4
4  B6R0.1  NCCC(O)CO 4051484 [0,1,0,0,0,0|1,0,2]=4
5  B6R0.3  CN(C)C(=O)CN 4088697 [0,1,0,0,0,0|3,0,0]=4
6  B6R0.3  CNC(=O)C(C)N 4088228 [0,1,0,0,0,0|3,0,0]=4
7  B6R0.3  CNC(=O)[C@@H](C)N 4055906 [0,1,0,0,0,0|3,0,0]=4
8  B6R0.3  C[C@@H](O)C(=N)NO 4081862 [0,1,0,0,0,0|2,0,0]=3
9  B6R0.3  C[C@H](O)C(=N)NO 4061691 [0,1,0,0,0,0|2,0,0]=3
10  B6R1.2  N[C@@H]1CCOC1 4107838 [0,0,0,1,0,0|2,0,1]=4
11  B6R1.2  OC1CNOC1 4088318 [0,0,0,1,0,0|1,0,2]=4
12  B6R1.4  N[C@H]1CC[C@@H]1O 4071120 [0,0,0,1,0,0|2,0,1]=4
13  B6R1.4  N[C@H]1CC[C@H]1O 4068939 [0,0,0,1,0,0|2,0,1]=4
14  B5R0.1  COCC(=N)N 4091089 [1,1,0,0,0,0|2,0,0]=4
15  B5R0.5  CC(O)C(=N)N 4089130 [1,1,0,0,0,0|2,0,0]=4
16  B5R0.5  C[C@@H](O)C(=N)N 4060246 [1,1,0,0,0,0|2,0,0]=4
17  B5R0.5  C[C@H](O)C(=N)N 4057094 [1,1,0,0,0,0|2,0,0]=4
18  B5R0.5  O=C(O)C(=O)O 4034715 [1,1,0,0,0,0|0,0,1]=3
19  B5R0.2  NNCCCO 4090002 [1,1,0,0,0,0|1,0,1]=4
20  B7R0.3  CCC(=O)NCCN 4028425 [0,2,0,0,0,0|2,0,0]=4
21  B7R0.3  COCC\C(N)=N/O 4090102 [0,2,0,0,0,0|2,0,0]=4
22  B7R0.14  CC(C)(C)C(=O)CN 4089213 [0,2,0,0,0,0|2,0,0]=4
23  B7R0.14  CC(C)(O)C(=O)NN 3015527 [0,2,0,0,0,0|2,0,0]=4
24  B5R1.1  C1CNOC1 4089053 [1,0,0,1,0,0|1,0,1]=4
25  B7R1.4  NC1CCNC1=O 4019954 [0,1,0,1,0,0|2,0,0]=4
26  B7R1.4  N[C@@H]1CCNC1=O 4101224 [0,1,0,1,0,0|2,0,0]=4
27  B7R1.4  N[C@H]1CCNC1=O 4107612 [0,1,0,1,0,0|2,0,0]=4
28  B7R1.4  N[C@H]1COC[C@H]1O 4044721 [0,1,0,1,0,0|1,0,1]=4