0  B6R0.5  C=CCS(=O)(=O)Cl 4006318 [0,0,0,0,0,0|2,0,1]=3
1  B6R0.5  CC(C)(O)CCCl 4047844 [0,0,0,0,0,0|4,0,0]=4
2  B6R0.5  CC(C)(O)CCN 4044047 [0,0,0,0,0,0|4,0,0]=4
3  B6R0.5  CS(=O)(=O)CCCl 4036406 [0,0,0,0,0,0|2,0,0]=2
4  B6R0.5  CS(=O)(=O)CCN 4030796 [0,0,0,0,0,0|2,0,0]=2
5  B5R0.1  C#CCC(=O)O 4035749 [1,0,0,0,0,0|2,0,1]=4
6  B5R0.1  NC(=O)CCO 4070037 [1,0,0,0,0,0|2,1,0]=4
7  B5R0.1  NCCC(N)=O 4034723 [1,0,0,0,0,0|3,0,0]=4
8  B7R0.8  CS(=O)(=O)CCCO 4031323 [0,1,0,0,0,0|1,1,0]=3
9  B7R0.8  CS(=O)(=O)NCCN 4029868 [0,1,0,0,0,0|2,0,0]=3
10  B7R0.11  CCS(=O)(=O)CCN 4033794 [0,1,0,0,0,0|2,0,0]=3
11  B7R0.11  CNS(=O)(=O)CCN 4025618 [0,1,0,0,0,0|2,0,0]=3
12  B7R0.14  CCN(C)S(=O)(=O)Cl 4036358 [0,1,0,0,0,0|3,0,0]=4
13  B4R0.3  NS(=O)(=O)Cl 4036618 [2,0,0,0,0,0|2,0,0]=4
14  B6R0.1  COC(=O)CCO 4041011 [1,1,0,0,0,0|1,1,0]=4
15  B6R0.4  CNCCC(=O)O 4036102 [1,1,0,0,0,0|2,0,0]=4
16  B8R0.14  CN(CCN)S(C)(=O)=O 4033691 [0,2,0,0,0,0|2,0,0]=4
17  B8R0.21  CS(=O)(=O)CCN=[N+]=[N-] 4040673 [0,2,0,0,0,0|2,0,0]=4
18  B8R0.25  CCS(=O)(=O)CCNC 4039868 [0,2,0,0,0,0|2,0,0]=4
19  B8R0.29  CS(=O)(=O)CCC(=O)O 4043244 [0,2,0,0,0,0|1,1,0]=4
20  B8R0.12  CC(C)S(=O)(=O)CCN 4041085 [0,2,0,0,0,0|2,0,0]=4
21  B8R0.12  CC(C)S(=O)(=O)CCO 4039720 [0,2,0,0,0,0|1,1,0]=4
22  B8R0.12  CN(C)S(=O)(=O)CCN 4025617 [0,2,0,0,0,0|2,0,0]=4
23  B8R1.51  NC1C=CS(=O)(=O)C1 4090730 [0,1,0,1,0,0|2,0,0]=4
24  B8R1.51  NC1C=CS(=O)(=O)C1 4100795 [0,1,0,1,0,0|2,0,0]=4
25  B8R1.51  NC1CCS(=O)(=O)C1 4100768 [0,1,0,1,0,0|2,0,0]=4
26  B8R1.51  O=C1CCS(=O)(=O)C1 4021927 [0,1,0,1,0,0|1,1,0]=4
27  B8R1.51  O=S1(=O)C=CC(Cl)C1 4011803 [0,1,0,1,0,0|2,0,0]=4
28  B8R1.51  O=S1(=O)CCC(Br)C1 4011807 [0,1,0,1,0,0|2,0,0]=4
29  B8R1.51  O=S1(=O)CCC(I)C1 4045423 [0,1,0,1,0,0|2,0,0]=4
30  B8R1.51  O=S1(=O)CCC(O)C1 4030368 [0,1,0,1,0,0|1,1,0]=4
31  B8R1.51  O=S1(=O)CCC(S)C1 4003969 [0,1,0,1,0,0|1,0,0]=3
32  B8R1.56  O=S(=O)(Cl)CC1CC1 4036512 [0,1,0,1,0,0|2,0,0]=4
33  B8R1.72  O=S1(=O)CCNCC1 4014927 [0,1,0,1,0,0|2,0,0]=4