0  B12R1.480  CC[C@@H](C(=O)N)N1CCCC1=O TS02078 [0,0,0,0,0,0|0,0,0]=0
1  B12R1.480  CC[C@@H](C(=O)O)N1CCCC1=O TS58307 [0,0,0,0,0,0|1,0,0]=1
2  B12R1.480  CC[C@@H](C(=O)O)N1CCCC1=O TS60181 [0,0,0,0,0,0|1,0,0]=1
3  B13R1.1725  CC[C@@H](C(=O)OC)N1CCCC1=O TS48723 [0,1,0,0,0,0|1,0,0]=2
4  B11R0.296  CCC(C(CC)C(=O)O)C(=O)O TS60229 [0,0,1,0,0,0|3,0,0]=4
5  B10R0.26  CCCC(=O)NC(C)C(=O)O TS42024 [1,0,1,0,0,0|1,0,0]=3
6  B10R0.26  C[C@@H](C(=O)O)NC(=O)CCN TS11238 [1,0,1,0,0,0|2,0,0]=4
7  B10R0.26  C[C@H](C(=O)O)NC(=O)CCN TS42149 [1,0,1,0,0,0|2,0,0]=4
8  B10R0.53  CCC(C(=O)O)NC(=O)CN TS11232 [1,0,1,0,0,0|2,0,0]=4
9  B10R0.53  CC[C@@H](C(=O)O)NC(=O)CN TS42146 [1,0,1,0,0,0|2,0,0]=4
10  B10R1.64  C1CC(=O)N(C1)CC(=O)N TS59357 [2,0,0,0,0,0|0,0,0]=2
11  B10R1.64  C1CC(=O)N(C1)CC(=O)O TS16711 [2,0,0,0,0,0|1,0,0]=3
12  B10R1.149  *CC(*)N1CCCC1=O TS94223 [2,0,0,0,0,0|2,0,0]=4
13  B14R1.323  CC(C)[C@@H](C(=O)O)N1CCCNC1=O TS37908 [0,1,0,0,0,1|1,0,0]=3
14  B12R1.450  C(C1C(=O)NC(C(=O)N1)CO)O TS45739 [0,0,1,1,0,0|2,0,0]=4
15  B12R1.450  C([C@H]1C(=O)N[C@H](C(=O)N1)CO)O TS45736 [0,0,1,1,0,0|2,0,0]=4
16  B12R1.450  CCC1C(=O)NC(C(=O)N1)CC TS45130 [0,0,1,1,0,0|0,0,0]=2
17  B12R1.368  C1C[C@@H](N(C1)C(=O)CN)C(=O)O TS39569 [0,0,1,1,0,0|2,0,0]=4
18  B12R1.368  C1C[C@H](N(C1)C(=O)CCl)C(=O)O TS17376 [0,0,1,1,0,0|2,0,0]=4
19  B12R1.368  C1C[C@H](N(C1)C(=O)CN)C(=O)O TS13147 [0,0,1,1,0,0|2,0,0]=4