0 B6R0.5 C=CCS(C)(=O)=O AT10470 [0,0,0,0,0,0|2,0,1]=3 1 B6R0.5 CCCC(C)(C)O D91458 [0,0,0,0,0,0|4,0,0]=4 2 B6R0.5 O=P(O)(O)CCCl T70393 [0,0,0,0,0,0|2,0,1]=3 3 B5R0.1 CC(=O)CCN 89829 [1,0,0,0,0,0|3,0,0]=4 4 B5R0.1 CC(C)CCS D91090 [1,0,0,0,0,0|3,0,0]=4 5 B5R0.1 C[C@H](O)CCN C80087 [1,0,0,0,0,0|3,0,0]=4 6 B5R0.1 NC(=O)CCCl S12033 [1,0,0,0,0,0|3,0,0]=4 7 B5R0.1 NOCC(=O)O AT14480 [1,0,0,0,0,0|3,0,0]=4 8 B5R0.4 C=CS(=O)(=O)F 58061 [1,0,0,0,0,0|1,0,2]=4 9 B5R0.4 CCS(=O)(=O)[O-] D78206 [1,0,0,0,0,0|0,0,1]=2 10 B5R0.4 CC[S@@](=O)([O-])=S D92265 [1,0,0,0,0,0|0,1,1]=3 11 B5R0.4 CNS(=O)(=O)O T72441 [1,0,0,0,0,0|1,0,0]=2 12 B5R0.4 CS(=O)(=O)NN C10694 [1,0,0,0,0,0|3,0,0]=4 13 B5R0.4 O=S(=O)(Cl)CCl AT12630 [1,0,0,0,0,0|2,0,0]=3 14 B7R0.8 CCCCP(=O)(O)O D89182 [0,1,0,0,0,0|2,0,1]=4 15 B7R0.9 CS(=O)(=O)CC(N)=O AC6569 [0,1,0,0,0,0|1,1,1]=4 16 B7R0.14 CCN(C)S(=O)(=O)Cl AT16496 [0,1,0,0,0,0|3,0,0]=4 17 B7R0.14 O=S(=O)([O-])[C@H](O)CCl D89290 [0,1,0,0,0,0|1,0,1]=3 18 B7R1.14 O=S1(=O)C=CCC1 C80036 [0,0,0,1,0,0|2,0,0]=3 19 B4R0.1 CCC(=O)Br D91967 [2,0,0,0,0,0|2,0,0]=4 20 B4R0.1 O=C(O)CI H11974 [2,0,0,0,0,0|2,0,0]=4 21 B4R0.2 NCCCO D88258 [2,0,0,0,0,0|2,0,0]=4 22 B4R0.3 C[As](C)(=O)O D89352 [2,0,0,0,0,0|2,0,0]=4 23 B4R0.3 O=Cl(=O)(=O)O H12019 [2,0,0,0,0,0|1,1,0]=4 24 B4R0.3 O=S(=O)(O)O D91345 [2,0,0,0,0,0|0,1,0]=3 25 B4R0.3 O=S(=O)([O-])[O-] C14082 [2,0,0,0,0,0|0,1,1]=4 26 B4R0.3 O=S(=O)([O-])[O-] D95716 [2,0,0,0,0,0|0,1,1]=4 27 B4R0.3 O=S(=O)([O-])[O-] F21252 [2,0,0,0,0,0|0,1,1]=4 28 B4R0.3 O=S(=O)([O-])[O-] H11969 [2,0,0,0,0,0|0,1,1]=4 29 B6R0.1 COC(=O)CCN D87779 [1,1,0,0,0,0|2,0,0]=4 30 B6R0.3 CC[C@H](Cl)C(=O)O T70777 [1,1,0,0,0,0|2,0,0]=4 31 B6R0.3 CC[C@H](Cl)C(=O)O T71033 [1,1,0,0,0,0|2,0,0]=4 32 B6R0.3 CC[C@H](N)C(=O)O 25311 [1,1,0,0,0,0|2,0,0]=4 33 B6R0.3 NC[C@H](N)C(=O)O 36687 [1,1,0,0,0,0|2,0,0]=4 34 B6R0.4 CSCCC(=O)Cl D91387 [1,1,0,0,0,0|2,0,0]=4 35 B6R0.7 CC(C)S(=O)(=O)F AT20656 [1,1,0,0,0,0|1,0,0]=3 36 B8R0.33 O=S(=O)(Cl)CC(F)(F)F AT12087 [0,2,0,0,0,0|2,0,0]=4 37 B8R0.33 O=S(=O)(O)CS(=O)(=O)O F16475 [0,2,0,0,0,0|1,1,0]=4 38 B8R0.30 CCOS(=O)(=O)CCO 76905 [0,2,0,0,0,0|0,1,0]=3