0  B7R0.6  CC(C)CNC(C)C B039560 [0,0,0,0,0,0|3,0,1]=4
1  B8R0.9  CCN(C)CCC(=O)O B039614 [0,1,0,0,0,0|1,0,0]=2
2  B8R0.23  CC(CN(C)C)C(=O)O B039611 [0,1,0,0,0,0|1,0,0]=2
3  B8R1.51  NC1CCS(=O)(=O)C1 B039478 [0,0,0,1,0,0|2,0,1]=4
4  B8R1.51  O=S1(=O)CCC(O)C1 B048719 [0,0,0,1,0,0|2,0,1]=4
5  B8R0.28  NC(=O)COCC(=O)O B039405 [0,0,0,0,0,1|2,0,1]=4
6  B5R0.1  C#CCC(=O)O B050921 [2,0,0,0,0,0|0,0,2]=4
7  B5R0.1  CC(N)CCO B039558 [2,0,0,0,0,0|1,0,0]=3
8  B5R0.2  CCSCCO B049702 [2,0,0,0,0,0|1,0,1]=4
9  B7R0.2  CC(CO)CN(C)C B039565 [1,1,0,0,0,0|1,0,1]=4
10  B7R0.3  CCN(C)CCCO B039576 [1,1,0,0,0,0|1,0,1]=4
11  B7R0.3  CNCCC(=O)NC B039605 [1,1,0,0,0,0|2,0,0]=4
12  B7R0.5  CC(CCO)N(C)C B039575 [1,1,0,0,0,0|1,0,1]=4
13  B7R0.9  O=C(O)CC(F)(F)F B039718 [0,1,0,0,1,0|2,0,0]=4
14  B7R0.16  CC(C(=O)O)N(C)C B039606 [0,1,0,0,1,0|1,0,0]=3
15  B9R0.7  CC(C)N(C)CCC(=O)O B039615 [0,1,0,0,0,1|0,0,0]=2
16  B9R0.56  O=C(O)CCCC(F)(F)F B051965 [0,1,0,0,0,1|2,0,0]=4
17  B9R0.21  CCC(=O)CNC(C)(C)C B050196 [0,2,0,0,0,0|2,0,0]=4
18  B9R0.42  CCN(C)CC(C)C(=O)O B039610 [0,2,0,0,0,0|1,0,0]=3
19  B9R0.43  COC(CC[N+](=O)[O-])OC B049764 [0,2,0,0,0,0|1,0,1]=4
20  B9R0.64  C#CC(C)(C)NCC(C)=O B049822 [0,2,0,0,0,0|2,0,0]=4
21  B7R1.3  NC1CCCOC1 B049073 [1,0,0,1,0,0|1,0,1]=4
22  B7R1.14  CC1(C)CCCN1 B039503 [1,0,0,1,0,0|1,0,1]=4
23  B9R1.35  CC1=NOC(C(=O)O)C1 B044476 [0,0,0,1,0,1|1,0,1]=4
24  B9R1.1  CN1CCC(=NO)CC1 B015961 [0,1,0,1,0,0|2,0,0]=4
25  B9R1.69  CC1CN(C)CCC1=O B048625 [0,1,0,1,0,0|2,0,0]=4
26  B9R1.38  C=C1OC(=O)OC1(C)C B048515 [0,1,0,1,0,0|1,0,1]=4