0 B4R0.3 CC(C)(C)Cl Z281778956 [0,0,0,0,0,0|3,0,0]=3 1 B4R0.3 CS(=O)(=O)C Z417007936 [0,0,0,0,0,0|0,0,0]=0 2 B4R0.3 CS(=O)(=O)F Z361886230 [0,0,0,0,0,0|1,0,0]=1 3 B4R0.3 CS(=O)(=O)N Z54080282 [0,0,0,0,0,0|1,0,0]=1 4 B4R0.3 CS(=O)(=O)O Z281776238 [0,0,0,0,0,0|1,0,0]=1 5 B4R0.3 O=P(O)(O)F Z1255360409 [0,0,0,0,0,0|3,0,1]=4 6 B3R0.2 CC(=O)N Z33546370 [1,0,0,0,0,0|2,0,0]=3 7 B3R0.2 CC(=O)O Z1954803614 [1,0,0,0,0,0|1,0,1]=3 8 B3R0.2 CC(=O)[S-] Z1142554016 [1,0,0,0,0,0|1,1,0]=3 9 B3R0.2 NC(=O)N Z104473900 [1,0,0,0,0,0|3,0,0]=4 10 B5R0.4 C#CC(C)(C)O Z1245735173 [0,1,0,0,0,0|2,0,1]=4 11 B5R0.4 C=CC(C)(C)N Z2940715337 [0,1,0,0,0,0|3,0,0]=4 12 B5R0.4 C=CS(=O)(=O)C Z608051272 [0,1,0,0,0,0|0,0,1]=2 13 B5R0.4 CC(C)(C)C#N Z278179882 [0,1,0,0,0,0|3,0,0]=4 14 B5R0.4 CC(C)(C)CN Z291234094 [0,1,0,0,0,0|3,0,0]=4 15 B5R0.4 CC(C)(C)CO Z397587176 [0,1,0,0,0,0|2,0,1]=4 16 B5R0.4 CC(C)(F)C#N Z1198369138 [0,1,0,0,0,0|3,0,0]=4 17 B5R0.4 CC(C)(N)C#N Z57176535 [0,1,0,0,0,0|3,0,0]=4 18 B5R0.4 CC(C)(N)CN Z1266854946 [0,1,0,0,0,0|3,0,0]=4 19 B5R0.4 CC(C)(O)C#N Z104473082 [0,1,0,0,0,0|2,0,1]=4 20 B5R0.4 CC(C)(O)CO Z600454414 [0,1,0,0,0,0|1,0,2]=4 21 B5R0.4 CC(F)(F)CN Z1201623622 [0,1,0,0,0,0|3,0,0]=4 22 B5R0.4 CCC(C)(C)N Z104480062 [0,1,0,0,0,0|3,0,0]=4 23 B5R0.4 CCC(C)(C)O Z104473496 [0,1,0,0,0,0|2,0,1]=4 24 B5R0.4 CCS(=O)(=O)N Z54886646 [0,1,0,0,0,0|1,0,0]=2 25 B5R0.4 CNS(=O)(=O)C Z54078255 [0,1,0,0,0,0|0,0,0]=1 26 B5R0.4 CNS(=O)(=O)N Z56762361 [0,1,0,0,0,0|1,0,0]=2 27 B5R0.4 COS(=O)(=O)C Z133684226 [0,1,0,0,0,0|0,0,0]=1 28 B5R0.4 COS(=O)(=O)N Z300238034 [0,1,0,0,0,0|1,0,0]=2 29 B5R0.4 CS(=O)(=O)NN Z283687760 [0,1,0,0,0,0|1,0,0]=2 30 B5R0.4 O=S(=O)([O-])CCl Z104476408 [0,1,0,0,0,0|1,0,0]=2 31 B2R0.1 CNC Z57834054 [2,0,0,0,0,0|1,0,0]=3 32 B4R0.1 CC(=O)C=O Z104495190 [1,1,0,0,0,0|1,0,0]=3 33 B4R0.1 CC(=O)CN Z1262398366 [1,1,0,0,0,0|1,0,0]=3 34 B4R0.1 CC(=O)NN Z58981787 [1,1,0,0,0,0|2,0,0]=4 35 B4R0.1 CC(=O)NO Z59181917 [1,1,0,0,0,0|1,0,1]=4 36 B4R0.1 CC(C)NO Z1198161074 [1,1,0,0,0,0|1,0,1]=4 37 B4R0.1 CC(F)CN Z2941405027 [1,1,0,0,0,0|2,0,0]=4 38 B4R0.1 CC(N)CF Z2096088772 [1,1,0,0,0,0|2,0,0]=4 39 B4R0.1 CC(N)CN Z104474490 [1,1,0,0,0,0|2,0,0]=4 40 B4R0.1 CC(O)CN Z104477092 [1,1,0,0,0,0|1,0,1]=4 41 B4R0.1 CC(O)CO Z106938868 [1,1,0,0,0,0|1,0,1]=4 42 B4R0.1 CCC(=O)N Z33546482 [1,1,0,0,0,0|2,0,0]=4 43 B4R0.1 CCC(=O)O Z104474154 [1,1,0,0,0,0|1,0,1]=4 44 B4R0.1 CCC(C)N Z104472234 [1,1,0,0,0,0|2,0,0]=4 45 B4R0.1 CC[C@@H](C)O Z1203162396 [1,1,0,0,0,0|1,0,1]=4 46 B4R0.1 CN(C)C#N Z1255394988 [1,1,0,0,0,0|2,0,0]=4 47 B4R0.1 CN(C)N=O Z1255485177 [1,1,0,0,0,0|1,0,0]=3 48 B4R0.1 CNC(=N)C Z2146515751 [1,1,0,0,0,0|2,0,0]=4 49 B4R0.1 CNC(=O)C Z32016274 [1,1,0,0,0,0|1,0,0]=3 50 B4R0.1 CNC(=O)N Z56932989 [1,1,0,0,0,0|2,0,0]=4 51 B4R0.1 COC(=O)N Z104476722 [1,1,0,0,0,0|2,0,0]=4 52 B4R0.1 C[C@@H](N)CN Z3234812272 [1,1,0,0,0,0|2,0,0]=4 53 B4R0.1 C[C@@H](N)CO Z346076140 [1,1,0,0,0,0|2,0,0]=4 54 B4R0.1 C[C@@H](O)CO Z1255486379 [1,1,0,0,0,0|1,0,1]=4 55 B4R0.1 C[C@H](N)CN Z1741977335 [1,1,0,0,0,0|2,0,0]=4 56 B4R0.1 C[C@H](O)CN Z1203577967 [1,1,0,0,0,0|1,0,1]=4 57 B4R0.1 C[C@H](O)CO Z1255449993 [1,1,0,0,0,0|1,0,1]=4 58 B4R0.1 NC(=O)CF Z104475768 [1,1,0,0,0,0|2,0,0]=4 59 B4R0.1 NC(=O)CI Z1080376832 [1,1,0,0,0,0|2,0,0]=4 60 B4R0.1 NC(=O)CO Z424788508 [1,1,0,0,0,0|2,0,0]=4 61 B4R0.1 NCC(=O)N Z1262254285 [1,1,0,0,0,0|2,0,0]=4 62 B4R0.1 NCC(=O)O Z955123660 [1,1,0,0,0,0|1,0,1]=4 63 B4R0.1 O=C(O)CBr Z104473018 [1,1,0,0,0,0|1,0,1]=4 64 B4R0.1 O=C(O)CO Z104473274 [1,1,0,0,0,0|1,0,1]=4 65 B4R0.1 O=[N+]([O-])CBr Z1255485348 [1,1,0,0,0,0|1,0,1]=4 66 B6R0.5 C=CCS(=O)(=O)Cl Z1079442078 [0,2,0,0,0,0|1,0,0]=3 67 B6R0.5 CCNS(=O)(=O)C Z53825320 [0,2,0,0,0,0|0,0,0]=2 68 B6R0.5 CCOS(=O)(=O)N Z2751120716 [0,2,0,0,0,0|1,0,0]=3 69 B6R0.5 CS(=O)(=O)CC#N Z55928823 [0,2,0,0,0,0|0,0,0]=2 70 B6R0.5 CS(=O)(=O)CCN Z265638750 [0,2,0,0,0,0|0,0,0]=2 71 B6R0.5 NCCS(=O)(=O)N Z432066942 [0,2,0,0,0,0|1,0,0]=3 72 B6R0.5 NCCS(=O)(=O)O Z248489432 [0,2,0,0,0,0|1,0,0]=3 73 B6R0.5 NS(=O)(=O)CCO Z1267897807 [0,2,0,0,0,0|1,0,0]=3 74 B6R0.5 O=S(=O)(Cl)CCCl Z56965859 [0,2,0,0,0,0|1,0,0]=3 75 B6R0.5 O=S(=O)([O-])CCS Z594284202 [0,2,0,0,0,0|1,0,0]=3 76 B6R0.7 CC(=O)C(C)(C)O Z939661728 [0,2,0,0,0,0|1,0,1]=4 77 B6R0.7 CC(C)(Br)C(=O)N Z1255458262 [0,2,0,0,0,0|2,0,0]=4 78 B6R0.7 CC(C)(C)C(=O)N Z56895677 [0,2,0,0,0,0|2,0,0]=4 79 B6R0.7 CC(C)(F)C(=O)O Z1201622349 [0,2,0,0,0,0|2,0,0]=4 80 B6R0.7 CC(C)(N)C(=O)N Z752371206 [0,2,0,0,0,0|2,0,0]=4 81 B6R0.7 CC(C)(N)C(=O)O Z317024776 [0,2,0,0,0,0|2,0,0]=4 82 B6R0.7 CC(C)S(=O)(=O)N Z599618876 [0,2,0,0,0,0|1,0,0]=3 83 B6R0.7 CC(O)S(=O)(=O)[O-] Z1198151272 [0,2,0,0,0,0|1,0,0]=3 84 B6R0.7 CN(C)S(=O)(=O)Cl Z270760636 [0,2,0,0,0,0|1,0,0]=3 85 B6R0.7 CN(C)S(=O)(=O)N Z300114482 [0,2,0,0,0,0|1,0,0]=3 86 B6R0.7 NS(=O)(=O)C(F)F Z335450076 [0,2,0,0,0,0|1,0,0]=3 87 B6R0.8 C=CS(=O)(=O)C=C Z362768182 [0,2,0,0,0,0|0,0,2]=4 88 B6R0.8 C=CS(=O)(=O)CC Z448248158 [0,2,0,0,0,0|0,0,1]=3 89 B6R0.8 COP(=O)([S-])OC Z3670332895 [0,2,0,0,0,0|1,1,0]=4 90 B6R0.8 COS(=O)(=O)OC Z104473216 [0,2,0,0,0,0|0,0,0]=2 91 B6R1.7 CC1(CC1)C=O Z1263714317 [0,1,0,1,0,0|2,0,0]=4 92 B6R1.10 O=S1(=O)CCN1 Z415933552 [0,1,0,1,0,0|0,0,0]=2