0  B6R0.6  CC\C=C/CCO T22295 [0,0,0,0,0,0|0,0,2]=2
1  B7R0.4  C\C=C\C=C\C(=O)O T8019 [0,1,0,0,0,0|0,0,2]=3
2  B7R0.4  C\C=C\C=C\C(=O)[O-] T4807 [0,1,0,0,0,0|0,0,2]=3
3  B7R0.4  NCCCCC(=O)O T5089 [0,1,0,0,0,0|1,0,2]=4
4  B7R1.3  CC1=NC=CC=C1 T21323 [0,0,0,1,0,0|1,0,2]=4
5  B7R1.3  O=C1CCCCO1 T4821 [0,0,0,1,0,0|1,0,2]=4
6  B6R0.4  CSCCC(=O)O T5285 [1,1,0,0,0,0|1,0,1]=4
7  B6R0.4  NCCCC(=O)O T0508 [1,1,0,0,0,0|1,0,1]=4
8  B6R0.4  NC\C=C\C(=O)O T23414 [1,1,0,0,0,0|1,0,0]=3
9  B6R0.4  O=C(O)\C=C\CO T23473 [1,1,0,0,0,0|1,0,0]=3
10  B6R0.4  O=CNCC(=O)O T4741 [1,1,0,0,0,0|2,0,0]=4
11  B8R0.7  NCCCCCC(=O)O T0881 [0,2,0,0,0,0|0,0,2]=4
12  B8R0.8  CCCCC(O)C(=O)O T5224 [0,2,0,0,0,0|0,0,2]=4
13  B8R0.8  CCCC[C@H](N)C(=O)O T4765 [0,2,0,0,0,0|0,0,2]=4
14  B8R0.9  NCC(=O)CCC(=O)O T1662 [0,2,0,0,0,0|1,0,1]=4
15  B8R0.9  NCC(=O)NCC(=O)O T5286 [0,2,0,0,0,0|2,0,0]=4
16  B8R0.5  CCOC(=O)CC(=O)O T4773 [0,2,0,0,0,0|1,0,0]=3
17  B8R0.5  CCOC(=O)CC(=O)[O-] T22328 [0,2,0,0,0,0|1,0,0]=3
18  B6R1.2  C[C-]1C=CC=C1 T20558 [1,0,0,1,0,0|0,0,2]=4
19  B6R1.2  Cn1ccnc1 T0575 [1,0,0,1,0,0|2,0,0]=4
20  B8R1.8  NCCC1=CNC=N1 T6535 [0,1,0,1,0,0|2,0,0]=4
21  B8R1.11  CCN1CCCC1=O T13823 [0,1,0,1,0,0|0,0,2]=4
22  B8R1.1  CC1=CC=C(C=O)O1 TCP2934 [0,1,0,1,0,0|0,0,2]=4
23  B8R1.4  O=C1CCNC(=O)N1 T4886 [0,1,0,1,0,0|2,0,0]=4
24  B8R1.7  O=C(O)[C@@H]1CCCN1 T2O2683 [0,1,0,1,0,0|1,0,1]=4
25  B8R1.7  O=C(O)[C@@H]1CCCN1 TN1593 [0,1,0,1,0,0|1,0,1]=4
26  B8R1.7  O=C(O)[C@H]1CCCN1 T5302 [0,1,0,1,0,0|1,0,1]=4
27  B8R1.18  CC1=CC(=O)C(C)O1 T22309 [0,1,0,1,0,0|1,0,1]=4