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|1,0,1]=2 2 B4R0.3 CS(=O)(=O)F Z361886230 [0,0,0,0,0,0|2,0,1]=3 3 B4R0.3 CS(=O)(=O)N Z54080282 [0,0,0,0,0,0|2,0,1]=3 4 B4R0.3 CS(=O)(=O)O Z281776238 [0,0,0,0,0,0|2,0,0]=2 5 B4R0.3 O=P(O)(O)F Z1255360409 [0,0,0,0,0,0|2,1,0]=3 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|1,0,0]=2 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|2,0,0]=3 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|1,0,2]=4 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|2,0,0]=3 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|2,0,0]=3 20 B5R0.4 CC(C)(O)CO Z600454414 [0,1,0,0,0,0|1,0,1]=3 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|2,0,0]=3 24 B5R0.4 CCS(=O)(=O)N Z54886646 [0,1,0,0,0,0|2,0,1]=4 25 B5R0.4 CNS(=O)(=O)C Z54078255 [0,1,0,0,0,0|1,0,1]=3 26 B5R0.4 CNS(=O)(=O)N Z56762361 [0,1,0,0,0,0|2,0,1]=4 27 B5R0.4 COS(=O)(=O)C Z133684226 [0,1,0,0,0,0|1,0,1]=3 28 B5R0.4 COS(=O)(=O)N Z300238034 [0,1,0,0,0,0|2,0,1]=4 29 B5R0.4 CS(=O)(=O)NN Z283687760 [0,1,0,0,0,0|2,0,1]=4 30 B5R0.4 O=S(=O)([O-])CCl Z104476408 [0,1,0,0,0,0|2,0,1]=4 31 B2R0.1 CNC Z57834054 [2,0,0,0,0,0|0,1,0]=3 32 B4R0.1 C#CC(=O)O Z104493798 [1,1,0,0,0,0|1,0,1]=4 33 B4R0.1 C#CC(C)O Z1251193370 [1,1,0,0,0,0|1,0,1]=4 34 B4R0.1 C=CC(=O)O Z57127944 [1,1,0,0,0,0|1,0,1]=4 35 B4R0.1 CC(=O)C=O Z104495190 [1,1,0,0,0,0|1,0,1]=4 36 B4R0.1 CC(=O)CN Z1262398366 [1,1,0,0,0,0|1,0,0]=3 37 B4R0.1 CC(=O)NN Z58981787 [1,1,0,0,0,0|2,0,0]=4 38 B4R0.1 CC(=O)NO Z59181917 [1,1,0,0,0,0|1,0,0]=3 39 B4R0.1 CC(C)NO Z1198161074 [1,1,0,0,0,0|1,0,0]=3 40 B4R0.1 CC(F)CN Z2941405027 [1,1,0,0,0,0|2,0,0]=4 41 B4R0.1 CC(N)CF Z2096088772 [1,1,0,0,0,0|2,0,0]=4 42 B4R0.1 CC(N)CN Z104474490 [1,1,0,0,0,0|2,0,0]=4 43 B4R0.1 CC(O)CN Z104477092 [1,1,0,0,0,0|1,0,0]=3 44 B4R0.1 CC(O)CO Z106938868 [1,1,0,0,0,0|1,0,0]=3 45 B4R0.1 CCC(=O)N Z33546482 [1,1,0,0,0,0|2,0,0]=4 46 B4R0.1 CCC(=O)O Z104474154 [1,1,0,0,0,0|1,0,0]=3 47 B4R0.1 CCC(C)N Z104472234 [1,1,0,0,0,0|2,0,0]=4 48 B4R0.1 CC[C@@H](C)O Z1203162396 [1,1,0,0,0,0|1,0,0]=3 49 B4R0.1 CN(C)C#N Z1255394988 [1,1,0,0,0,0|1,1,0]=4 50 B4R0.1 CN(C)N=O Z1255485177 [1,1,0,0,0,0|0,1,0]=3 51 B4R0.1 CNC(=N)C Z2146515751 [1,1,0,0,0,0|2,0,0]=4 52 B4R0.1 CNC(=O)C Z32016274 [1,1,0,0,0,0|1,0,0]=3 53 B4R0.1 CNC(=O)N Z56932989 [1,1,0,0,0,0|2,0,0]=4 54 B4R0.1 COC(=O)N Z104476722 [1,1,0,0,0,0|2,0,0]=4 55 B4R0.1 C[C@@H](N)CN Z3234812272 [1,1,0,0,0,0|2,0,0]=4 56 B4R0.1 C[C@@H](N)CO Z346076140 [1,1,0,0,0,0|2,0,0]=4 57 B4R0.1 C[C@@H](O)CO Z1255486379 [1,1,0,0,0,0|1,0,0]=3 58 B4R0.1 C[C@H](N)CN Z1741977335 [1,1,0,0,0,0|2,0,0]=4 59 B4R0.1 C[C@H](O)CN Z1203577967 [1,1,0,0,0,0|1,0,0]=3 60 B4R0.1 C[C@H](O)CO Z1255449993 [1,1,0,0,0,0|1,0,0]=3 61 B4R0.1 NC(=O)CF Z104475768 [1,1,0,0,0,0|2,0,0]=4 62 B4R0.1 NC(=O)CI Z1080376832 [1,1,0,0,0,0|2,0,0]=4 63 B4R0.1 NC(=O)CO Z424788508 [1,1,0,0,0,0|2,0,0]=4 64 B4R0.1 NC(=O)NO Z1203577934 [1,1,0,0,0,0|2,0,0]=4 65 B4R0.1 NCC(=O)N Z1262254285 [1,1,0,0,0,0|2,0,0]=4 66 B4R0.1 NCC(=O)O Z955123660 [1,1,0,0,0,0|1,0,0]=3 67 B4R0.1 O=C(O)CBr Z104473018 [1,1,0,0,0,0|1,0,0]=3 68 B4R0.1 O=C(O)CO Z104473274 [1,1,0,0,0,0|1,0,0]=3 69 B4R0.1 O=[N+]([O-])CBr Z1255485348 [1,1,0,0,0,0|0,1,1]=4 70 B6R0.5 C#CCC(C)(C)O Z1098923701 [0,2,0,0,0,0|2,0,0]=4 71 B6R0.5 CC(C)(N)CCO Z1198183553 [0,2,0,0,0,0|2,0,0]=4 72 B6R0.5 CC(C)(O)CC#N Z1182322175 [0,2,0,0,0,0|2,0,0]=4 73 B6R0.5 CCCC(C)(C)O Z449374450 [0,2,0,0,0,0|2,0,0]=4 74 B6R0.5 CCNS(=O)(=O)C Z53825320 [0,2,0,0,0,0|1,0,1]=4 75 B6R0.5 CNCC(C)(C)O Z600453550 [0,2,0,0,0,0|2,0,0]=4 76 B6R0.5 COCC(C)(C)N Z1258578421 [0,2,0,0,0,0|2,0,0]=4 77 B6R0.5 CS(=O)(=O)CC#N Z55928823 [0,2,0,0,0,0|1,0,1]=4 78 B6R0.5 CS(=O)(=O)CCN Z265638750 [0,2,0,0,0,0|1,0,1]=4 79 B6R0.5 C[N+](C)(C)CCO Z2758800560 [0,2,0,0,0,0|1,1,0]=4 80 B6R0.5 N#CCP(=O)(O)O Z3025383580 [0,2,0,0,0,0|1,1,0]=4 81 B6R0.5 NCCS(=O)(=O)O Z248489432 [0,2,0,0,0,0|2,0,0]=4 82 B6R0.7 CC(=O)C(C)(C)O Z939661728 [0,2,0,0,0,0|1,0,0]=3 83 B6R0.7 CC(C)(Br)C(=O)N Z1255458262 [0,2,0,0,0,0|2,0,0]=4 84 B6R0.7 CC(C)(C)C(=O)N Z56895677 [0,2,0,0,0,0|2,0,0]=4 85 B6R0.7 CC(C)(F)C(=O)O Z1201622349 [0,2,0,0,0,0|2,0,0]=4 86 B6R0.7 CC(C)(N)C(=O)N Z752371206 [0,2,0,0,0,0|2,0,0]=4 87 B6R0.7 CC(C)(N)C(=O)O Z317024776 [0,2,0,0,0,0|2,0,0]=4 88 B6R0.7 CC(C)(O)C(=N)N Z3244745533 [0,2,0,0,0,0|2,0,0]=4 89 B6R0.7 CC(C)(O)C(F)F Z1413814779 [0,2,0,0,0,0|2,0,0]=4 90 B6R0.7 CC(O)C(C)(C)N Z3688848535 [0,2,0,0,0,0|2,0,0]=4 91 B6R0.8 C#CC(C)(C)OC Z1198169184 [0,2,0,0,0,0|2,0,0]=4 92 B6R0.8 C#CC(C)(O)CC Z1251192957 [0,2,0,0,0,0|2,0,0]=4 93 B6R0.8 CC(C)(CN)CO Z3247605488 [0,2,0,0,0,0|2,0,0]=4 94 B6R0.8 CCC(C)(C)CO Z995039230 [0,2,0,0,0,0|2,0,0]=4 95 B6R0.8 CCC(C)(N)CO Z734150850 [0,2,0,0,0,0|2,0,0]=4 96 B6R0.8 CCC(C)(O)CC Z449374480 [0,2,0,0,0,0|2,0,0]=4 97 B6R0.8 CCC(C)(O)CN Z419085064 [0,2,0,0,0,0|2,0,0]=4 98 B6R0.8 CNC(C)(C)CO Z425727892 [0,2,0,0,0,0|2,0,0]=4 99 B6R0.8 COC(C)(C)CN Z1266933932 [0,2,0,0,0,0|2,0,0]=4 100 B6R0.8 COC(C)(C)CO Z1255430497 [0,2,0,0,0,0|1,0,1]=4 101 B6R0.8 COP(=O)([S-])OC Z3670332895 [0,2,0,0,0,0|0,2,0]=4 102 B6R0.8 COS(=O)(=O)OC Z104473216 [0,2,0,0,0,0|1,0,1]=4 103 B6R1.7 CC1(CC1)C=O Z1263714317 [0,1,0,1,0,0|2,0,0]=4 104 B6R1.7 CC1(CO1)CCl Z1201618277 [0,1,0,1,0,0|2,0,0]=4 105 B6R1.7 CCC1(CO1)C Z1020679924 [0,1,0,1,0,0|2,0,0]=4 106 B6R1.7 NC1(CC1)CO Z1741975623 [0,1,0,1,0,0|2,0,0]=4 107 B6R1.9 CC1OC1(C)C Z1255419606 [0,1,0,1,0,0|2,0,0]=4 108 B6R1.10 CC1(CCC1)O Z1241455013 [0,1,0,1,0,0|2,0,0]=4 109 B6R1.10 O=S1(=O)CCN1 Z415933552 [0,1,0,1,0,0|1,0,1]=4