0  B7R0.1  C(CCCCl)CCO R000S5 [1,0,0,0,0,0|1,0,2]=4
1  B7R0.1  CCCCCON=O R000TE [1,0,0,0,0,0|2,0,0]=3
2  B7R0.1  CCOCCOCC R0012Z [1,0,0,0,0,0|2,0,1]=4
3  B9R0.1  COC(=O)CCCC(=O)O R000WR [0,1,0,0,0,0|2,0,1]=4
4  B9R1.2  CN1CCCC(C1)CO R000Y7 [0,0,0,1,0,0|3,0,0]=4
5  B9R1.6  C1CC(CNC1)C(=O)O R000YS [0,0,0,1,0,0|2,0,0]=3
6  B9R1.6  C1CCNC(C1)C(=O)O R000YU [0,0,0,1,0,0|2,0,0]=3
7  B9R1.6  C1CCNC(C1)C(=O)O R0014A [0,0,0,1,0,0|2,0,0]=3
8  B9R1.6  C1CCN[C@@H](C1)C(=O)O R000YT [0,0,0,1,0,0|2,0,0]=3
9  B9R1.6  C1CNCCC1C(=O)N R000Y4 [0,0,0,1,0,0|2,0,0]=3
10  B9R1.6  C1CNCCC1C(=O)O R000YR [0,0,0,1,0,0|2,0,0]=3
11  B9R1.6  C1C[C@@H](CC=C1)C(=O)O R000T5 [0,0,0,1,0,0|1,0,2]=4
12  B9R1.6  C1C[C@H](CC=C1)C(=O)O R000T6 [0,0,0,1,0,0|1,0,2]=4
13  B9R1.50  C1CCCC(=O)CCC1 R000TU [0,0,0,1,0,0|0,0,0]=1
14  B6R0.6  CCCCON=O R000TD [2,0,0,0,0,0|2,0,0]=4
15  B8R0.4  COCCNCCOC R0011O [1,1,0,0,0,0|2,0,0]=4
16  B8R0.4  COCCOCCOC R0012X [1,1,0,0,0,0|2,0,0]=4
17  B8R0.4  COCCOCCOC R00138 [1,1,0,0,0,0|2,0,0]=4
18  B8R0.8  CCCC[C@H](C(=O)O)N R00105 [1,1,0,0,0,0|1,0,0]=3
19  B8R0.28  CC(C)CCCC(C)N R000SF [1,1,0,0,0,0|1,0,1]=4
20  B10R0.55  COC(=O)CCCCC(=O)O R000ZH [0,2,0,0,0,0|1,0,1]=4
21  B10R0.74  CCCCCCOC(=O)C=C R0015N [0,2,0,0,0,0|0,0,1]=3
22  B10R0.1  CCCCC#CC(=O)OCC R00150 [0,2,0,0,0,0|0,0,2]=4
23  B8R1.2  C1CC(CNC1)CO R000YM [1,0,0,1,0,0|2,0,0]=4
24  B8R1.22  C1CCCC(=O)CC1 R000SI [1,0,0,1,0,0|0,0,0]=2
25  B8R1.7  C1C[C@@H](NC1)C(=O)O R00104 [1,0,0,1,0,0|2,0,0]=4
26  B8R1.7  C1C[C@H](NC1)C(=O)N R000UN [1,0,0,1,0,0|2,0,0]=4
27  B10R1.15  COC(=O)C1CCCCN1 R000XT [0,1,0,1,0,0|1,0,0]=3
28  B10R1.15  COC(=O)C1CCCNC1 R000XS [0,1,0,1,0,0|1,0,0]=3
29  B10R1.15  COC(=O)C1CCNCC1 R000XR [0,1,0,1,0,0|1,0,0]=3