0 B4R0.3 CC(C)(C)Cl Z281778956 [0,0,0,0,0,0|1,0,0]=1 1 B4R0.3 CS(=O)(=O)C Z417007936 [0,0,0,0,0,0|2,0,1]=3 2 B4R0.3 CS(=O)(=O)F Z361886230 [0,0,0,0,0,0|3,0,1]=4 3 B4R0.3 CS(=O)(=O)N Z54080282 [0,0,0,0,0,0|3,0,1]=4 4 B4R0.3 CS(=O)(=O)O Z281776238 [0,0,0,0,0,0|3,0,0]=3 5 B4R0.3 O=P(O)(O)F Z1255360409 [0,0,0,0,0,0|4,0,0]=4 6 B3R0.2 CC(=O)N Z33546370 [1,0,0,0,0,0|1,0,2]=4 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|1,0,2]=4 9 B5R0.4 C#CC(C)(C)O Z1245735173 [0,1,0,0,0,0|0,0,1]=2 10 B5R0.4 C=CC(C)(C)N Z2940715337 [0,1,0,0,0,0|1,0,1]=3 11 B5R0.4 CC(C)(C)C#N Z278179882 [0,1,0,0,0,0|1,0,0]=2 12 B5R0.4 CC(C)(C)CN Z291234094 [0,1,0,0,0,0|1,0,0]=2 13 B5R0.4 CC(C)(C)CO Z397587176 [0,1,0,0,0,0|0,0,0]=1 14 B5R0.4 CC(C)(F)C#N Z1198369138 [0,1,0,0,0,0|1,0,1]=3 15 B5R0.4 CC(C)(N)C#N Z57176535 [0,1,0,0,0,0|1,0,1]=3 16 B5R0.4 CC(C)(N)CN Z1266854946 [0,1,0,0,0,0|1,0,0]=2 17 B5R0.4 CC(C)(O)C#N Z104473082 [0,1,0,0,0,0|0,0,1]=2 18 B5R0.4 CC(C)(O)CO Z600454414 [0,1,0,0,0,0|0,0,0]=1 19 B5R0.4 CC(F)(F)CN Z1201623622 [0,1,0,0,0,0|2,0,0]=3 20 B5R0.4 CCC(C)(C)N Z104480062 [0,1,0,0,0,0|1,0,0]=2 21 B5R0.4 CCC(C)(C)O Z104473496 [0,1,0,0,0,0|0,0,0]=1 22 B5R0.4 CNS(=O)(=O)C Z54078255 [0,1,0,0,0,0|2,0,1]=4 23 B5R0.4 COS(=O)(=O)C Z133684226 [0,1,0,0,0,0|2,0,1]=4 24 B5R0.4 NCC(F)(F)Cl Z3208061227 [0,1,0,0,0,0|3,0,0]=4 25 B5R0.4 NCC(F)(F)F Z235149257 [0,1,0,0,0,0|3,0,0]=4 26 B5R0.4 OCC(Br)(Br)Br Z1269188950 [0,1,0,0,0,0|3,0,0]=4 27 B5R0.4 [O-]CC(F)(F)F Z1723549330 [0,1,0,0,0,0|3,0,0]=4 28 B2R0.1 CNC Z57834054 [2,0,0,0,0,0|1,0,0]=3 29 B4R0.1 C#CC(C)O Z1251193370 [1,1,0,0,0,0|0,0,1]=3 30 B4R0.1 C=CC(C)N Z1446855743 [1,1,0,0,0,0|1,0,1]=4 31 B4R0.1 CC(=O)CN Z1262398366 [1,1,0,0,0,0|0,0,2]=4 32 B4R0.1 CC(=O)NO Z59181917 [1,1,0,0,0,0|1,0,1]=4 33 B4R0.1 CC(C)NO Z1198161074 [1,1,0,0,0,0|0,0,0]=2 34 B4R0.1 CC(F)CN Z2941405027 [1,1,0,0,0,0|1,0,0]=3 35 B4R0.1 CC(N)CF Z2096088772 [1,1,0,0,0,0|1,0,0]=3 36 B4R0.1 CC(N)CN Z104474490 [1,1,0,0,0,0|1,0,0]=3 37 B4R0.1 CC(O)CN Z104477092 [1,1,0,0,0,0|0,0,0]=2 38 B4R0.1 CC(O)CO Z106938868 [1,1,0,0,0,0|0,0,0]=2 39 B4R0.1 CCC(=O)O Z104474154 [1,1,0,0,0,0|1,0,1]=4 40 B4R0.1 CCC(C)N Z104472234 [1,1,0,0,0,0|1,0,0]=3 41 B4R0.1 CC[C@@H](C)O Z1203162396 [1,1,0,0,0,0|0,0,0]=2 42 B4R0.1 CN(C)C#N Z1255394988 [1,1,0,0,0,0|1,0,1]=4 43 B4R0.1 CN(C)N=O Z1255485177 [1,1,0,0,0,0|1,0,1]=4 44 B4R0.1 CNC(=N)C Z2146515751 [1,1,0,0,0,0|1,0,1]=4 45 B4R0.1 CNC(=O)C Z32016274 [1,1,0,0,0,0|0,0,2]=4 46 B4R0.1 C[C@@H](N)CN Z3234812272 [1,1,0,0,0,0|1,0,0]=3 47 B4R0.1 C[C@@H](N)CO Z346076140 [1,1,0,0,0,0|1,0,0]=3 48 B4R0.1 C[C@@H](O)CO Z1255486379 [1,1,0,0,0,0|0,0,0]=2 49 B4R0.1 C[C@H](N)CN Z1741977335 [1,1,0,0,0,0|1,0,0]=3 50 B4R0.1 C[C@H](O)CN Z1203577967 [1,1,0,0,0,0|0,0,0]=2 51 B4R0.1 C[C@H](O)CO Z1255449993 [1,1,0,0,0,0|0,0,0]=2 52 B4R0.1 NCC(=O)O Z955123660 [1,1,0,0,0,0|1,0,1]=4 53 B4R0.1 NCC(F)F Z1295543893 [1,1,0,0,0,0|2,0,0]=4 54 B4R0.1 O=C(O)CBr Z104473018 [1,1,0,0,0,0|1,0,1]=4 55 B4R0.1 O=C(O)CO Z104473274 [1,1,0,0,0,0|1,0,1]=4 56 B4R0.1 OCC(F)F Z397587054 [1,1,0,0,0,0|2,0,0]=4 57 B6R0.5 C#CCC(C)(C)N Z3210767531 [0,2,0,0,0,0|1,0,0]=3 58 B6R0.5 C#CCC(C)(C)O Z1098923701 [0,2,0,0,0,0|0,0,0]=2 59 B6R0.5 CC#CC(C)(C)N Z1203578926 [0,2,0,0,0,0|1,0,0]=3 60 B6R0.5 CC(C)(F)CCN Z2515207542 [0,2,0,0,0,0|1,0,0]=3 61 B6R0.5 CC(C)(N)/C=C/Cl Z2827897660 [0,2,0,0,0,0|1,0,1]=4 62 B6R0.5 CC(C)(N)CCF Z4297373689 [0,2,0,0,0,0|1,0,0]=3 63 B6R0.5 CC(C)(N)CCN Z2218555716 [0,2,0,0,0,0|1,0,0]=3 64 B6R0.5 CC(C)(N)CCO Z1198183553 [0,2,0,0,0,0|1,0,0]=3 65 B6R0.5 CC(C)(O)CC#N Z1182322175 [0,2,0,0,0,0|0,0,0]=2 66 B6R0.5 CC(F)(F)CCN Z2230911674 [0,2,0,0,0,0|2,0,0]=4 67 B6R0.5 CCCC(C)(C)N Z1262250787 [0,2,0,0,0,0|1,0,0]=3 68 B6R0.5 CCCC(C)(C)O Z449374450 [0,2,0,0,0,0|0,0,0]=2 69 B6R0.5 CNCC(C)(C)C Z992717054 [0,2,0,0,0,0|1,0,0]=3 70 B6R0.5 CNCC(C)(C)O Z600453550 [0,2,0,0,0,0|0,0,0]=2 71 B6R0.5 COCC(C)(C)N Z1258578421 [0,2,0,0,0,0|1,0,0]=3 72 B6R0.5 C[N+](C)(C)CCBr Z1269136668 [0,2,0,0,0,0|2,0,0]=4 73 B6R0.5 C[N+](C)(C)CCF Z1255450613 [0,2,0,0,0,0|2,0,0]=4 74 B6R0.5 C[N+](C)(C)CCO Z2758800560 [0,2,0,0,0,0|1,0,0]=3 75 B6R0.7 CC(=O)C(C)(C)O Z939661728 [0,2,0,0,0,0|0,0,0]=2 76 B6R0.7 CC(C)(Br)C(=O)N Z1255458262 [0,2,0,0,0,0|1,0,1]=4 77 B6R0.7 CC(C)(C)C(=N)N Z56771178 [0,2,0,0,0,0|1,0,0]=3 78 B6R0.7 CC(C)(C)C(=O)N Z56895677 [0,2,0,0,0,0|0,0,1]=3 79 B6R0.7 CC(C)(C)C(=S)N Z278180216 [0,2,0,0,0,0|0,1,0]=3 80 B6R0.7 CC(C)(F)C(=O)O Z1201622349 [0,2,0,0,0,0|1,0,0]=3 81 B6R0.7 CC(C)(N)C(=O)N Z752371206 [0,2,0,0,0,0|1,0,1]=4 82 B6R0.7 CC(C)(N)C(=O)O Z317024776 [0,2,0,0,0,0|1,0,0]=3 83 B6R0.7 CC(C)(O)C(=N)N Z3244745533 [0,2,0,0,0,0|0,0,1]=3 84 B6R0.7 CC(C)(O)C(F)F Z1413814779 [0,2,0,0,0,0|0,0,0]=2 85 B6R0.7 CC(C)C(C)(C)N Z1270446314 [0,2,0,0,0,0|1,0,0]=3 86 B6R0.7 CC(Cl)(Cl)C(=O)O Z1205493591 [0,2,0,0,0,0|2,0,0]=4 87 B6R0.7 CC(N)C(C)(C)F Z3487099771 [0,2,0,0,0,0|1,0,0]=3 88 B6R0.7 CC(N)C(C)(F)F Z2234631218 [0,2,0,0,0,0|2,0,0]=4 89 B6R0.7 CC(O)C(C)(C)N Z3688848535 [0,2,0,0,0,0|1,0,0]=3 90 B6R0.8 C#CC(C)(C)NC Z5942912613 [0,2,0,0,0,0|1,0,0]=3 91 B6R0.8 C#CC(C)(C)OC Z1198169184 [0,2,0,0,0,0|0,0,1]=3 92 B6R0.8 C#CC(C)(O)CC Z1251192957 [0,2,0,0,0,0|0,0,1]=3 93 B6R0.8 C=CC(C)(N)CC Z3042074270 [0,2,0,0,0,0|1,0,1]=4 94 B6R0.8 CC(C)(CN)CO Z3247605488 [0,2,0,0,0,0|0,0,0]=2 95 B6R0.8 CC(N)(C#N)CO Z2082998957 [0,2,0,0,0,0|1,0,1]=4 96 B6R0.8 CCC(C)(C)C#N Z1079179196 [0,2,0,0,0,0|1,0,0]=3 97 B6R0.8 CCC(C)(C)CO Z995039230 [0,2,0,0,0,0|0,0,0]=2 98 B6R0.8 CCC(C)(C)NC Z335250498 [0,2,0,0,0,0|1,0,0]=3 99 B6R0.8 CCC(C)(N)CC Z1267881628 [0,2,0,0,0,0|1,0,0]=3 100 B6R0.8 CCC(C)(N)CN Z425861002 [0,2,0,0,0,0|1,0,0]=3 101 B6R0.8 CCC(C)(N)CO Z734150850 [0,2,0,0,0,0|1,0,0]=3 102 B6R0.8 CCC(C)(O)CC Z449374480 [0,2,0,0,0,0|0,0,0]=2 103 B6R0.8 CCC(C)(O)CN Z419085064 [0,2,0,0,0,0|0,0,0]=2 104 B6R0.8 CNC(C)(C)C#N Z56347264 [0,2,0,0,0,0|1,0,0]=3 105 B6R0.8 CNC(C)(C)CN Z1511495256 [0,2,0,0,0,0|1,0,0]=3 106 B6R0.8 CNC(C)(C)CO Z425727892 [0,2,0,0,0,0|0,0,0]=2 107 B6R0.8 COC(C)(C)CN Z1266933932 [0,2,0,0,0,0|0,0,0]=2 108 B6R0.8 COC(C)(C)CO Z1255430497 [0,2,0,0,0,0|0,0,0]=2 109 B6R0.8 CSC(C)(C)C#N Z1258769726 [0,2,0,0,0,0|1,0,0]=3 110 B6R0.8 CSC(C)(C)CN Z1203639115 [0,2,0,0,0,0|0,1,0]=3 111 B6R1.7 C#CC1(CC1)C Z1861999732 [0,1,0,1,0,0|1,0,0]=3 112 B6R1.7 C#CC1(CC1)N Z1203653659 [0,1,0,1,0,0|1,0,1]=4 113 B6R1.7 CC1(CC1)C=O Z1263714317 [0,1,0,1,0,0|0,0,1]=3 114 B6R1.7 CC1(CC1)CN Z1335657802 [0,1,0,1,0,0|1,0,0]=3 115 B6R1.7 CC1(CO1)CCl Z1201618277 [0,1,0,1,0,0|0,0,0]=2 116 B6R1.7 CCC1(CC1)N Z2234631229 [0,1,0,1,0,0|1,0,0]=3 117 B6R1.7 CCC1(CO1)C Z1020679924 [0,1,0,1,0,0|0,0,0]=2 118 B6R1.7 CNC1(CC1)C Z2310723089 [0,1,0,1,0,0|1,0,0]=3 119 B6R1.7 N#CC1(CC1)N Z1741972043 [0,1,0,1,0,0|1,0,1]=4 120 B6R1.7 NC1(CC1)CO Z1741975623 [0,1,0,1,0,0|1,0,0]=3 121 B6R1.9 CC1(CC1N)C Z1259335876 [0,1,0,1,0,0|1,0,0]=3 122 B6R1.9 CC1OC1(C)C Z1255419606 [0,1,0,1,0,0|0,0,0]=2 123 B6R1.10 CC1(CCC1)N Z1741969618 [0,1,0,1,0,0|1,0,0]=3 124 B6R1.10 CC1(CCC1)O Z1241455013 [0,1,0,1,0,0|0,0,0]=2 125 B6R1.10 CC1(CCN1)C Z1198749898 [0,1,0,1,0,0|1,0,0]=3 126 B6R1.10 CC1(CNC1)C Z2142036999 [0,1,0,1,0,0|1,0,0]=3 127 B6R1.10 CC1(CNC1)F Z1964347522 [0,1,0,1,0,0|1,0,0]=3