0  B9R0.47  C#CCCC[C@@H](N)C(=O)O 4557-1-R0 [0,0,0,0,0,0|1,0,2]=3
1  B9R0.47  C#CCCC[C@H](N)C(=O)O 4557-1-S0 [0,0,0,0,0,0|1,0,2]=3
2  B9R0.47  C=CCCC[C@H](N)C(=O)O 4357-1-S2 [0,0,0,0,0,0|1,0,0]=1
3  B8R0.7  NOCCCCC(=O)O 4121-9-01 [1,0,0,0,0,0|3,0,0]=4
4  B8R0.8  C#CCC[C@H](N)C(=O)O 4557-1-S1 [1,0,0,0,0,0|0,0,2]=3
5  B10R1.23  NC(C(=O)O)C1=CSC=C1 8H66-5-4C [0,0,0,1,0,0|2,0,1]=4
6  B10R1.23  NC(C(=O)O)C1CCCC1 4257-1-22 [0,0,0,1,0,0|1,0,2]=4
7  B10R1.23  N[C@@H](C(=O)O)C1CCCC1 4257-1-R5 [0,0,0,1,0,0|1,0,2]=4
8  B10R1.113  O=C1CCCC(C(=O)O)C1 2229-1-X0 [0,0,0,1,0,0|3,0,0]=4
9  B10R1.204  NC(CC1CCC1)C(=O)O 4257-1-24 [0,0,0,1,0,0|1,0,2]=4
10  B7R0.4  O=C(O)CCCCO 2120-1-00 [2,0,0,0,0,0|1,0,1]=4
11  B7R0.5  NCCC(F)C(=O)O 4157-3-06 [2,0,0,0,0,0|2,0,0]=4
12  B9R0.7  CC(C)=CC[C@@H](N)C(=O)O 4357-1-R0 [1,1,0,0,0,0|0,0,2]=4
13  B9R0.7  CC(C)=CC[C@H](N)C(=O)O 4357-1-S0 [1,1,0,0,0,0|0,0,2]=4
14  B9R1.35  O=C1CCC(C(=O)Cl)N1 4H48-5-DJ [1,0,0,1,0,0|2,0,0]=4
15  B9R1.35  O=C1CC[C@@H](C(=O)O)C1 2229-1-R2 [1,0,0,1,0,0|2,0,0]=4
16  B9R1.35  O=C1CC[C@H](C(=O)O)C1 2229-1-S2 [1,0,0,1,0,0|2,0,0]=4
17  B9R1.110  N[C@@H](C(=O)O)C1CCC1 4257-1-R4 [1,0,0,1,0,0|0,0,2]=4
18  B9R1.110  N[C@@H](C(=O)O)C1COC1 4H57-1-74 [1,0,0,1,0,0|1,0,1]=4
19  B9R1.110  N[C@H](C(=O)O)C1CCC1 4257-1-S4 [1,0,0,1,0,0|0,0,2]=4
20  B9R1.110  N[C@H](C(=O)O)C1COC1 4H57-1-S4 [1,0,0,1,0,0|1,0,1]=4
21  B9R1.112  NC(CC1CC1)C(=O)O 4257-1-26 [1,0,0,1,0,0|0,0,2]=4
22  B9R1.112  N[C@@H](CC1CC1)C(=O)O 4257-1-S7 [1,0,0,1,0,0|0,0,2]=4
23  B9R1.112  N[C@H](CC1CC1)C(=O)O 4257-1-R7 [1,0,0,1,0,0|0,0,2]=4
24  B11R1.35  NC(CN1C=CC=N1)C(=O)O 4H57-1-0D [0,1,0,1,0,0|1,0,1]=4