0 B4R0.3 CS(=O)(=O)C Z417007936 [0,0,0,0,0,0|2,0,0]=2 1 B4R0.3 CS(=O)(=O)F Z361886230 [0,0,0,0,0,0|2,0,0]=2 2 B4R0.3 CS(=O)(=O)N Z54080282 [0,0,0,0,0,0|1,0,0]=1 3 B4R0.3 CS(=O)(=O)O Z281776238 [0,0,0,0,0,0|1,0,0]=1 4 B4R0.3 O=P(O)(O)F Z1255360409 [0,0,0,0,0,0|2,0,1]=3 5 B3R0.2 CC(=O)N Z33546370 [1,0,0,0,0,0|2,0,0]=3 6 B3R0.2 CC(=O)O Z1954803614 [1,0,0,0,0,0|2,0,0]=3 7 B3R0.2 CC(=O)[S-] Z1142554016 [1,0,0,0,0,0|2,1,0]=4 8 B3R0.2 NC(=O)N Z104473900 [1,0,0,0,0,0|2,0,0]=3 9 B5R0.4 C=CS(=O)(=O)C Z608051272 [0,1,0,0,0,0|2,0,0]=3 10 B5R0.4 CCS(=O)(=O)N Z54886646 [0,1,0,0,0,0|1,0,0]=2 11 B5R0.4 CNS(=O)(=O)C Z54078255 [0,1,0,0,0,0|1,0,0]=2 12 B5R0.4 CNS(=O)(=O)N Z56762361 [0,1,0,0,0,0|1,0,0]=2 13 B5R0.4 COS(=O)(=O)C Z133684226 [0,1,0,0,0,0|1,0,0]=2 14 B5R0.4 COS(=O)(=O)N Z300238034 [0,1,0,0,0,0|0,0,0]=1 15 B5R0.4 CS(=O)(=O)NN Z283687760 [0,1,0,0,0,0|1,0,0]=2 16 B5R0.4 O=S(=O)([O-])CCl Z104476408 [0,1,0,0,0,0|1,0,1]=3 17 B4R0.1 C#CC(=O)O Z104493798 [1,1,0,0,0,0|2,0,0]=4 18 B4R0.1 C=CC(=O)O Z57127944 [1,1,0,0,0,0|2,0,0]=4 19 B4R0.1 CC(=O)C=O Z104495190 [1,1,0,0,0,0|2,0,0]=4 20 B4R0.1 CC(=O)CN Z1262398366 [1,1,0,0,0,0|2,0,0]=4 21 B4R0.1 CC(=O)NN Z58981787 [1,1,0,0,0,0|2,0,0]=4 22 B4R0.1 CC(=O)NO Z59181917 [1,1,0,0,0,0|2,0,0]=4 23 B4R0.1 CC(O)CN Z104477092 [1,1,0,0,0,0|2,0,0]=4 24 B4R0.1 CCC(=O)N Z33546482 [1,1,0,0,0,0|2,0,0]=4 25 B4R0.1 CCC(=O)O Z104474154 [1,1,0,0,0,0|2,0,0]=4 26 B4R0.1 CNC(=O)C Z32016274 [1,1,0,0,0,0|2,0,0]=4 27 B4R0.1 CNC(=O)N Z56932989 [1,1,0,0,0,0|2,0,0]=4 28 B4R0.1 COC(=N)N Z1741976783 [1,1,0,0,0,0|2,0,0]=4 29 B4R0.1 COC(=O)N Z104476722 [1,1,0,0,0,0|1,0,0]=3 30 B4R0.1 C[C@@H](N)CO Z346076140 [1,1,0,0,0,0|2,0,0]=4 31 B4R0.1 C[C@H](O)CN Z1203577967 [1,1,0,0,0,0|2,0,0]=4 32 B4R0.1 N=C(N)CO Z1259341033 [1,1,0,0,0,0|2,0,0]=4 33 B4R0.1 NC(=O)CF Z104475768 [1,1,0,0,0,0|2,0,0]=4 34 B4R0.1 NC(=O)CI Z1080376832 [1,1,0,0,0,0|2,0,0]=4 35 B4R0.1 NC(=O)CO Z424788508 [1,1,0,0,0,0|1,0,0]=3 36 B4R0.1 NC(=O)NO Z1203577934 [1,1,0,0,0,0|1,0,0]=3 37 B4R0.1 NCC(=O)N Z1262254285 [1,1,0,0,0,0|2,0,0]=4 38 B4R0.1 NCC(=O)O Z955123660 [1,1,0,0,0,0|1,0,0]=3 39 B4R0.1 NNC(=O)N Z104473922 [1,1,0,0,0,0|2,0,0]=4 40 B4R0.1 O=C(O)CBr Z104473018 [1,1,0,0,0,0|2,0,0]=4 41 B4R0.1 O=C(O)CO Z104473274 [1,1,0,0,0,0|1,0,1]=4 42 B6R0.5 C=CCS(=O)(=O)Cl Z1079442078 [0,2,0,0,0,0|2,0,0]=4 43 B6R0.5 CCNS(=O)(=O)C Z53825320 [0,2,0,0,0,0|1,0,0]=3 44 B6R0.5 CCOS(=O)(=O)N Z2751120716 [0,2,0,0,0,0|0,0,0]=2 45 B6R0.5 CS(=O)(=O)CC#N Z55928823 [0,2,0,0,0,0|1,0,1]=4 46 B6R0.5 CS(=O)(=O)CCN Z265638750 [0,2,0,0,0,0|1,0,0]=3 47 B6R0.5 NCCS(=O)(=O)N Z432066942 [0,2,0,0,0,0|1,0,0]=3 48 B6R0.5 NCCS(=O)(=O)O Z248489432 [0,2,0,0,0,0|0,0,0]=2 49 B6R0.5 NS(=O)(=O)CCO Z1267897807 [0,2,0,0,0,0|0,0,0]=2 50 B6R0.5 O=S(=O)(Cl)CCCl Z56965859 [0,2,0,0,0,0|2,0,0]=4 51 B6R0.5 O=S(=O)([O-])CCS Z594284202 [0,2,0,0,0,0|1,0,1]=4 52 B6R0.7 CC(C)S(=O)(=O)N Z599618876 [0,2,0,0,0,0|1,0,0]=3 53 B6R0.7 CC(O)S(=O)(=O)[O-] Z1198151272 [0,2,0,0,0,0|1,0,0]=3 54 B6R0.7 CN(C)S(=O)(=O)Cl Z270760636 [0,2,0,0,0,0|1,0,0]=3 55 B6R0.7 CN(C)S(=O)(=O)N Z300114482 [0,2,0,0,0,0|1,0,0]=3 56 B6R0.7 NS(=O)(=O)C(F)F Z335450076 [0,2,0,0,0,0|1,0,0]=3 57 B6R0.8 C=CS(=O)(=O)C=C Z362768182 [0,2,0,0,0,0|2,0,0]=4 58 B6R0.8 C=CS(=O)(=O)CC Z448248158 [0,2,0,0,0,0|2,0,0]=4 59 B6R0.8 COS(=O)(=O)OC Z104473216 [0,2,0,0,0,0|1,0,0]=3 60 B6R1.10 O=S1(=O)CCN1 Z415933552 [0,1,0,1,0,0|1,0,0]=3