0  B6R0.5  CC(C)(O)CCN 8810AD [0,0,0,0,0,0|4,0,0]=4
1  B6R0.5  O=C=NS(=O)(=O)Cl J70034 [0,0,0,0,0,0|2,1,1]=4
2  B5R0.1  NCCC(N)=O 6432AB [1,0,0,0,0,0|3,0,0]=4
3  B7R0.8  CS(=O)(=O)CCCN Y9638 [0,1,0,0,0,0|2,0,0]=3
4  B7R0.8  CS(=O)(=O)CCC[NH3+] 8708AD [0,1,0,0,0,0|2,0,0]=3
5  B7R0.11  CNS(=O)(=O)CCN W9718 [0,1,0,0,0,0|2,0,0]=3
6  B7R1.16  O=S1(=O)CC(Cl)C1 X6901 [0,0,0,1,0,0|2,0,0]=3
7  B4R0.1  CCC(=O)S Y1833 [2,0,0,0,0,0|1,1,0]=4
8  B4R0.3  O=S(=O)([O-])[O-] 5141AF [2,0,0,0,0,0|0,1,1]=4
9  B4R0.3  O=S(=O)([O-])[O-] 5197AF [2,0,0,0,0,0|0,1,1]=4
10  B4R0.3  O=S(=O)([O-])[O-] 5386AF [2,0,0,0,0,0|0,1,1]=4
11  B4R0.3  O=S(=O)([O-])[O-] V0923 [2,0,0,0,0,0|0,1,1]=4
12  B6R0.1  CCCC(=O)OC 8838AJ [1,1,0,0,0,0|2,0,0]=4
13  B6R0.2  O=C(O)CC(F)F Z1905 [1,1,0,0,0,0|2,0,0]=4
14  B6R0.3  C[C@H](CN)C(=O)O 0884AB [1,1,0,0,0,0|2,0,0]=4
15  B6R0.3  C[C@H](CO)C(=O)O 9932AA [1,1,0,0,0,0|1,1,0]=4
16  B6R0.3  NC(CF)C(=O)O 8475AA [1,1,0,0,0,0|2,0,0]=4
17  B6R0.3  NCC(F)C(=O)O X2955 [1,1,0,0,0,0|2,0,0]=4
18  B6R0.3  N[C@@H](CO)C(=O)O Z6084 [1,1,0,0,0,0|1,1,0]=4
19  B6R0.3  O=C(O)C(Br)CF 0454AQ [1,1,0,0,0,0|2,0,0]=4
20  B6R0.4  CCCC[Sn](=O)O 8518AL [1,1,0,0,0,0|2,0,0]=4
21  B8R0.21  CS(=O)(=O)CCN=[N+]=[N-] 1048AD [0,2,0,0,0,0|2,0,0]=4
22  B8R0.21  O=S(=O)(Cl)NCCCCl 4744AJ [0,2,0,0,0,0|2,0,0]=4
23  B8R0.25  CCS(=O)(=O)CCNC 3512AD [0,2,0,0,0,0|2,0,0]=4
24  B8R0.12  CC(C)S(=O)(=O)CCO 4605AF [0,2,0,0,0,0|1,1,0]=4
25  B6R1.2  OC1CCSC1 Y1949 [1,0,0,1,0,0|2,0,0]=4
26  B6R1.11  O=C(O)C1CO1 4445AJ [1,0,0,1,0,0|1,1,0]=4
27  B6R1.11  O=C(O)[C@@H]1CN1 9211AA [1,0,0,1,0,0|2,0,0]=4
28  B6R1.11  O=C(O)[C@H]1CN1 1874AC [1,0,0,1,0,0|2,0,0]=4
29  B8R1.51  C[C@@H]1COS(=O)(=O)O1 9606AH [0,1,0,1,0,0|1,0,0]=3
30  B8R1.55  O=S(=O)(Cl)C1CCC1 3995AB [0,1,0,1,0,0|2,0,0]=4
31  B8R1.56  O=S(=O)(Cl)CC1CC1 2356AA [0,1,0,1,0,0|2,0,0]=4
32  B8R1.72  O=S1(=O)COCCN1 9610AH [0,1,0,1,0,0|1,1,0]=4
33  B8R1.72  O=S1(=O)NCCCN1 0315AC [0,1,0,1,0,0|2,0,0]=4