0  B9R0.38  CCCCCCS(=O)(=O)[O-] R426628 [1,0,0,0,0,0|1,0,2]=4
1  B9R0.55  CC(=O)NCCNC(=O)C S389382 [1,0,0,0,0,0|3,0,0]=4
2  B11R0.199  O=S(=O)(O)CCCCS(=O)(=O)O PH003055 [0,1,0,0,0,0|3,0,0]=4
3  B11R1.155  O=C1CCCC(C1)S(=O)(=O)[O-] R537829 [0,0,0,1,0,0|1,0,1]=3
4  B11R1.710  CC(=O)NC1C=CS(=O)(=O)C1 S948616 [0,0,0,1,0,0|1,0,2]=4
5  B11R1.710  CC(=O)OC1CCS(=O)(=O)C1 PH004385 [0,0,0,1,0,0|2,0,0]=3
6  B11R1.710  O=C(O)CC1CCS(=O)(=O)C1 PH010368 [0,0,0,1,0,0|3,0,0]=4
7  B9R0.56  CN(C)CCOS(=O)(=O)O PH000603 [0,0,0,0,1,0|3,0,0]=4
8  B9R0.56  CS(=O)(=O)CCCC(=O)O OTV000796 [0,0,0,0,1,0|2,0,0]=3
9  B9R0.56  N=C(N)NCCS(=O)(=O)O PH017029 [0,0,0,0,1,0|2,0,0]=3
10  B9R0.56  N=C(N)SCCS(=O)(=O)O PH011327 [0,0,0,0,1,0|3,0,0]=4
11  B8R0.7  CC(=O)NCCCCN CDS021099 [2,0,0,0,0,0|2,0,0]=4
12  B8R0.21  CCCCCS(=O)(=O)O PH018433 [2,0,0,0,0,0|0,0,1]=3
13  B8R0.21  CCCCNS(=O)(=O)O R159344 [2,0,0,0,0,0|1,0,1]=4
14  B8R0.21  COCCCS(=O)(=O)Cl CDS020346 [2,0,0,0,0,0|2,0,0]=4
15  B8R0.21  CS(=O)(=O)CCCNN PH018709 [2,0,0,0,0,0|2,0,0]=4
16  B10R0.55  CSC(=S)NCCCC(=O)O PH009425 [1,1,0,0,0,0|1,1,0]=4
17  B10R1.28  O=S(=O)(O)C1CCCCC1 PH018131 [1,0,0,1,0,0|1,0,1]=4
18  B10R1.95  CCNC1CCS(=O)(=O)C1 CBR00799 [1,0,0,1,0,0|1,0,1]=4
19  B10R1.113  CC(=O)N1CCCC(C1)O CBR01458 [1,0,0,1,0,0|2,0,0]=4
20  B10R1.302  O=C1CCCS(=O)(=O)CC1 T318825 [0,0,0,1,1,0|1,0,0]=3
21  B12R1.844  CC(=O)NC1CS(=O)(=O)CC1Cl S171654 [0,1,0,1,0,0|1,0,0]=3
22  B12R1.844  CC(=O)OC1CS(=O)(=O)CC1Cl S566942 [0,1,0,1,0,0|2,0,0]=4
23  B12R1.1707  COC(=O)C1CCCS(=O)(=O)N1 PH016377 [0,1,0,1,0,0|2,0,0]=4
24  B12R2.237  O=C1N[C@@H]2CS(=O)(=O)C[C@@H]2N1 PH008352 [0,0,0,2,0,0|2,0,0]=4
25  B8R0.28  CC(=O)CCCC(=O)N PH008391 [1,0,0,0,1,0|2,0,0]=4
26  B8R0.28  CC(=O)CCC[N+](=O)[O-] S885983 [1,0,0,0,1,0|1,0,1]=4
27  B8R0.28  NC(=O)CCCC(=O)O CBR00275 [1,0,0,0,1,0|2,0,0]=4
28  B8R0.29  CC(=O)CNS(=O)(=O)C PH018857 [0,0,0,0,2,0|2,0,0]=4
29  B8R0.29  CC(C)CCS(=O)(=O)O PH016300 [0,0,0,0,2,0|1,0,1]=4
30  B8R0.29  NS(=O)(=O)CCC(=O)O CDS023249 [0,0,0,0,2,0|2,0,0]=4
31  B8R0.29  O=C(O)NC[PH](=O)(=O)O S28909 [0,0,0,0,2,0|2,0,0]=4
32  B10R0.97  CC(=O)NCSCCC(=O)O CDS005207 [1,0,0,0,0,1|1,0,0]=3