0  B9R1.6  CC(=O)c1ccccc1 T7446 [0,0,0,0,0,0|2,0,2]=4
1  B9R1.6  CC(=O)c1cnccn1 T5596 [0,0,0,0,0,0|1,0,3]=4
2  B9R1.6  OC(=O)C1=CCCNC1 T7557 [0,0,0,0,0,0|3,0,1]=4
3  B9R1.6  OC(=O)C1=CCCNC1 TN1717 [0,0,0,0,0,0|3,0,1]=4
4  B9R1.6  OC(=O)C1=CCNCC1 T11684 [0,0,0,0,0,0|4,0,0]=4
5  B9R1.6  OC(=O)C1CCCCN1 T4819 [0,0,0,0,0,0|2,0,2]=4
6  B9R1.6  OC(=O)[C@@H]1CCCCN1 T4762 [0,0,0,0,0,0|2,0,2]=4
7  B9R1.6  OC(=O)[C@H]1CCCCN1 T13634 [0,0,0,0,0,0|2,0,2]=4
8  B10R1.15  COC(=O)C1=CCCNC1 T5805 [0,1,0,0,0,0|2,0,1]=4
9  B8R0.7  CC(=O)NCCCCN T7508 [0,0,1,0,0,0|2,0,1]=4
10  B8R1.7  C1[C@@H](NCS1)C(=O)O T21115 [0,0,0,0,1,0|1,0,2]=4
11  B8R1.7  CC(=O)c1cccs1 T29331 [0,0,0,0,1,0|1,0,2]=4
12  B8R1.7  CC(=O)c1nccs1 T8042 [0,0,0,0,1,0|0,0,3]=4
13  B8R1.7  OC(=O)C1CSCN1 T0221 [0,0,0,0,1,0|1,0,2]=4
14  B8R1.7  OC(=O)[C@@H]1CCCN1 T2O2683 [0,0,0,0,1,0|1,0,2]=4
15  B8R1.7  OC(=O)[C@@H]1CSCN1 T4292 [0,0,0,0,1,0|1,0,2]=4
16  B8R1.7  OC(=O)[C@H]1CCCN1 T5302 [0,0,0,0,1,0|1,0,2]=4
17  B8R1.7  OC(=O)c1ccc[nH]1 T4716 [0,0,0,0,1,0|1,0,2]=4
18  B8R1.7  OC(=O)c1cnsc1 T4675 [0,0,0,0,1,0|2,0,1]=4
19  B8R1.7  OC([C@H]1NCCC1)=O TN1593 [0,0,0,0,1,0|1,0,2]=4
20  B7R0.5  CC/C=C(\C)C(O)=O T8052 [1,0,1,0,0,0|2,0,0]=4
21  B7R0.5  CCOC(=O)C(C)=O T8030 [1,0,1,0,0,0|1,1,0]=4
22  B7R1.3  O=C1NCCC=C1 TN3081 [2,0,0,0,0,0|1,0,0]=3
23  B9R1.11  ONC(=O)C1=CCCC1 T25175 [0,1,0,0,1,0|2,0,0]=4
24  B9R1.35  OC1CCC(=C1)C(O)=O T24146 [0,1,0,0,1,0|2,0,0]=4
25  B7R1.18  OC(=O)C1CCN1 T8100 [0,0,0,0,2,0|1,0,1]=4
26  B7R1.18  OC(=O)[C@@H]1CCN1 TN6928 [0,0,0,0,2,0|1,0,1]=4