0  B6R0.5  CS(=O)(=O)CCN AC-43009 [0,0,0,0,0,0|2,0,0]=2
1  B6R0.5  O=S(=O)(Cl)CCCl AC-51497 [0,0,0,0,0,0|2,0,0]=2
2  B5R0.4  CCS(N)(=O)=O AC-76829 [1,0,0,0,0,0|1,0,0]=2
3  B5R0.4  CNS(=O)(=O)O AC-93774 [1,0,0,0,0,0|1,0,0]=2
4  B5R0.4  CNS(C)(=O)=O AC-60010 [1,0,0,0,0,0|2,0,0]=3
5  B7R0.8  CCCNS(N)(=O)=O AC-87333 [0,1,0,0,0,0|2,0,0]=3
6  B7R0.8  CNCCS(=O)(=O)[O-] AC-86507 [0,1,0,0,0,0|1,0,1]=3
7  B7R0.8  COCCS(=O)(=O)[O-] AC-81420 [0,1,0,0,0,0|0,1,1]=3
8  B7R0.8  NCCOS(=O)(=O)O AC-82890 [0,1,0,0,0,0|1,0,0]=2
9  B7R0.9  CC(C)CS(=O)(=O)Cl AC-83133 [0,1,0,0,0,0|2,0,0]=3
10  B7R0.9  CS(=O)(=O)CC(=O)O AC-76118 [0,1,0,0,0,0|1,1,1]=4
11  B7R0.14  CCN(C)S(=O)(=O)Cl AC-56078 [0,1,0,0,0,0|3,0,0]=4
12  B7R1.14  O=S1(=O)C=CCO1 AC-77381 [0,0,0,1,0,0|1,0,2]=4
13  B7R1.14  O=S1(=O)CCCO1 AC-85498 [0,0,0,1,0,0|1,0,0]=2
14  B7R1.14  O=S1(=O)NCCN1 AC-83609 [0,0,0,1,0,0|3,0,0]=4
15  B4R0.1  CCC(O)O AC-11575 [2,0,0,0,0,0|1,0,1]=4
16  B4R0.1  CCC(O)O AC-11576 [2,0,0,0,0,0|1,0,1]=4
17  B4R0.1  O=C(O)CO AC-77042 [2,0,0,0,0,0|1,1,0]=4
18  B6R0.1  COC(=O)CCS AC-74164 [1,1,0,0,0,0|1,0,0]=3
19  B6R0.2  C[C@@H](O)CC(=O)O AC-81110 [1,1,0,0,0,0|1,1,0]=4
20  B6R0.2  C[C@H](N)CC(=O)O AC-77208 [1,1,0,0,0,0|2,0,0]=4
21  B6R0.3  CCC(N)C(=O)O AC-12704 [1,1,0,0,0,0|2,0,0]=4
22  B6R0.3  CCC(N)C(=O)O AC-22541 [1,1,0,0,0,0|2,0,0]=4
23  B6R0.3  CC[C@@H](N)C(=O)O AC-12705 [1,1,0,0,0,0|2,0,0]=4
24  B6R0.3  NC(CS)C(=O)O AC-27295 [1,1,0,0,0,0|1,0,0]=3
25  B6R0.3  NC[C@@H](N)C(=O)O AC-80565 [1,1,0,0,0,0|2,0,0]=4
26  B6R0.3  NC[C@H](N)C(=O)O AC-32482 [1,1,0,0,0,0|2,0,0]=4
27  B6R0.3  NC[C@H](O)C(=O)O AC-15048 [1,1,0,0,0,0|2,0,0]=4
28  B6R0.4  N#CCCC(=O)O AC-79263 [1,1,0,0,0,0|2,0,0]=4
29  B6R0.4  NCCCC(=O)O AC-22540 [1,1,0,0,0,0|2,0,0]=4
30  B6R0.4  O=C(O)CCCBr AC-34557 [1,1,0,0,0,0|2,0,0]=4
31  B6R0.7  CN(C)S(N)(=O)=O AC-26596 [1,1,0,0,0,0|2,0,0]=4
32  B8R0.12  CN(C)S(=O)(=O)CCO AC-80537 [0,2,0,0,0,0|1,1,0]=4
33  B6R1.11  O=C(O)C1CC1 AC-37568 [1,0,0,1,0,0|2,0,0]=4
34  B8R1.51  NC1CCS(=O)(=O)C1 AC-46220 [0,1,0,1,0,0|2,0,0]=4
35  B8R1.51  O=S1(=O)C=CC(O)C1 AC-58869 [0,1,0,1,0,0|1,1,0]=4
36  B8R1.51  O=S1(=O)CCC(Br)C1 AC-61245 [0,1,0,1,0,0|2,0,0]=4
37  B8R1.56  O=S(=O)(Cl)CC1CC1 AC-91850 [0,1,0,1,0,0|2,0,0]=4
38  B8R1.56  O=S(=O)(Cl)CC1CC1 AC-91865 [0,1,0,1,0,0|2,0,0]=4
39  B8R1.72  O=S1(=O)CCNCC1 AC-53231 [0,1,0,1,0,0|2,0,0]=4
40  B8R1.72  O=S1(=O)CCNCC1 AC-80813 [0,1,0,1,0,0|2,0,0]=4
41  B8R1.70  CC1(S(N)(=O)=O)CC1 AC-81167 [0,1,0,1,0,0|2,0,0]=4