0 B9R1.15 C#CC1=C(N=CC=N1)Cl Z1258977238 [0,0,0,0,0,0|2,0,1]=3 1 B9R1.15 CC1=C(C=CC=C1)C=O Z104478122 [0,0,0,0,0,0|4,0,0]=4 2 B9R1.15 CC1=C(C=CC=C1)CO Z335244790 [0,0,0,0,0,0|4,0,0]=4 3 B9R1.15 CC1=C(C=CC=C1)NN Z56933829 [0,0,0,0,0,0|4,0,0]=4 4 B9R1.15 CC1=C(C=CC=N1)C#N Z1198168592 [0,0,0,0,0,0|3,0,0]=3 5 B9R1.15 CC1=C(C=CC=N1)C=O Z1104852897 [0,0,0,0,0,0|3,0,0]=3 6 B9R1.15 CC1=C(C=NC=N1)C#N Z1263714352 [0,0,0,0,0,0|4,0,0]=4 7 B9R1.15 CC1=C(N=CC=C1)C#N Z382716046 [0,0,0,0,0,0|3,0,0]=3 8 B9R1.15 CC1=C(N=CC=C1)C=O Z1079442732 [0,0,0,0,0,0|3,0,0]=3 9 B9R1.15 CC1=C(N=CC=C1)CO Z976637084 [0,0,0,0,0,0|3,0,0]=3 10 B9R1.15 CC1=C(N=CC=N1)C#N Z1198181979 [0,0,0,0,0,0|2,0,0]=2 11 B9R1.15 CC1=C(N=CC=N1)C=O Z1198233269 [0,0,0,0,0,0|2,0,0]=2 12 B9R1.15 CC1=C(N=CC=N1)CN Z3671696702 [0,0,0,0,0,0|2,0,0]=2 13 B9R1.15 CC1=C(N=CN=C1)C#N Z1216842029 [0,0,0,0,0,0|4,0,0]=4 14 B9R1.15 CC1=C(N=CN=C1)C=O Z1198279991 [0,0,0,0,0,0|4,0,0]=4 15 B9R1.15 CCC1=C(C=CC=C1)Br Z1255457372 [0,0,0,0,0,0|4,0,0]=4 16 B9R1.15 CCC1=C(C=CC=C1)O Z104477226 [0,0,0,0,0,0|4,0,0]=4 17 B9R1.15 CCC1=C(C=NC=N1)O Z1618133826 [0,0,0,0,0,0|4,0,0]=4 18 B9R1.15 CCC1=C(N=CC=C1)N Z1192017773 [0,0,0,0,0,0|3,0,0]=3 19 B9R1.15 CCC1=C(N=CC=C1)O Z1198266674 [0,0,0,0,0,0|3,0,0]=3 20 B9R1.15 CCC1=C(N=CC=N1)Cl Z1198149374 [0,0,0,0,0,0|2,0,0]=2 21 B9R1.15 CCC1=C(N=CC=N1)N Z1203580180 [0,0,0,0,0,0|2,0,0]=2 22 B9R1.15 CCC1=NC=CNC1=O Z3274889193 [0,0,0,0,0,0|2,0,1]=3 23 B9R1.15 CCC1=NNC=NC1=O Z1201628993 [0,0,0,0,0,0|3,0,0]=3 24 B9R1.15 CNC1=C(C=CC=C1)Br Z2588063702 [0,0,0,0,0,0|4,0,0]=4 25 B9R1.15 CNC1=C(C=CC=C1)F Z335276746 [0,0,0,0,0,0|4,0,0]=4 26 B9R1.15 CNC1=C(C=CC=C1)N Z57472969 [0,0,0,0,0,0|4,0,0]=4 27 B9R1.15 CNC1=C(C=CC=N1)Br Z808603280 [0,0,0,0,0,0|3,0,0]=3 28 B9R1.15 CNC1=C(C=CC=N1)C Z968907582 [0,0,0,0,0,0|2,0,0]=2 29 B9R1.15 CNC1=C(C=CC=N1)F Z997723632 [0,0,0,0,0,0|3,0,0]=3 30 B9R1.15 CNC1=C(C=CC=N1)N Z803145504 [0,0,0,0,0,0|3,0,0]=3 31 B9R1.15 CNC1=C(C=CN=C1)C Z1124504699 [0,0,0,0,0,0|4,0,0]=4 32 B9R1.15 CNC1=C(C=NC=C1)C Z1147200119 [0,0,0,0,0,0|4,0,0]=4 33 B9R1.15 CNC1=C(C=NC=N1)F Z1681383887 [0,0,0,0,0,0|4,0,0]=4 34 B9R1.15 CNC1=C(C=NC=N1)I Z1269149847 [0,0,0,0,0,0|4,0,0]=4 35 B9R1.15 CNC1=C(N=CC=C1)C Z1295808975 [0,0,0,0,0,0|2,0,0]=2 36 B9R1.15 CNC1=C(N=CC=C1)N Z1203578357 [0,0,0,0,0,0|3,0,0]=3 37 B9R1.15 CNC1=C(N=CC=N1)C Z2768516750 [0,0,0,0,0,0|1,0,0]=1 38 B9R1.15 COC1=C(C=CC=C1)F Z54600290 [0,0,0,0,0,0|3,1,0]=4 39 B9R1.15 COC1=C(C=CC=C1)O Z104474028 [0,0,0,0,0,0|3,1,0]=4 40 B9R1.15 COC1=C(C=CC=N1)N Z240084308 [0,0,0,0,0,0|2,1,0]=3 41 B9R1.15 COC1=C(C=CC=N1)O Z1255423921 [0,0,0,0,0,0|2,1,0]=3 42 B9R1.15 COC1=C(C=CN=N1)N Z2146515312 [0,0,0,0,0,0|3,1,0]=4 43 B9R1.15 COC1=C(C=NC=N1)Br Z1272130999 [0,0,0,0,0,0|3,1,0]=4 44 B9R1.15 COC1=C(C=NC=N1)I Z1269172401 [0,0,0,0,0,0|3,1,0]=4 45 B9R1.15 COC1=C(C=NC=N1)N Z1198222304 [0,0,0,0,0,0|3,1,0]=4 46 B9R1.15 COC1=C(N=CC=C1)C Z1198150814 [0,0,0,0,0,0|1,1,0]=2 47 B9R1.15 COC1=C(N=CC=C1)N Z362783902 [0,0,0,0,0,0|2,1,0]=3 48 B9R1.15 COC1=C(N=CC=N1)N Z1198166025 [0,0,0,0,0,0|1,1,0]=2 49 B9R1.15 COC1=C(N=CN=C1)N Z1201621261 [0,0,0,0,0,0|3,1,0]=4 50 B9R1.15 COC1=CC=CNC1=O Z2678251321 [0,0,0,0,0,0|2,1,1]=4 51 B9R1.15 CSC1=C(C=CC=C1)C Z785054008 [0,0,0,0,0,0|2,0,0]=2 52 B9R1.15 CSC1=C(C=CC=C1)N Z104478220 [0,0,0,0,0,0|3,0,0]=3 53 B9R1.15 CSC1=C(C=CC=N1)Br Z808605456 [0,0,0,0,0,0|2,0,0]=2 54 B9R1.15 CSC1=C(C=NC=C1)N Z412017790 [0,0,0,0,0,0|4,0,0]=4 55 B9R1.15 CSC1=C(N=CC=C1)N Z1203640622 [0,0,0,0,0,0|2,0,0]=2 56 B9R1.15 ClCC1=C(N=CC=N1)Cl Z934373154 [0,0,0,0,0,0|3,0,0]=3 57 B9R1.15 N#CC1=C(C=CC=N1)N Z2756841900 [0,0,0,0,0,0|4,0,0]=4 58 B9R1.15 N#CC1=C(N=CC=C1)N Z295203364 [0,0,0,0,0,0|4,0,0]=4 59 B9R1.15 N#CC1=C(N=CC=N1)Br Z995020080 [0,0,0,0,0,0|3,0,0]=3 60 B9R1.15 N#CC1=C(N=CC=N1)Cl Z992759282 [0,0,0,0,0,0|3,0,0]=3 61 B9R1.15 N#CC1=C(N=CC=N1)N Z995018904 [0,0,0,0,0,0|3,0,0]=3 62 B9R1.15 N#CC1=C(N=CC=N1)O Z995023286 [0,0,0,0,0,0|3,0,0]=3 63 B9R1.15 NC1=C(C=CC=N1)C=O Z787969952 [0,0,0,0,0,0|4,0,0]=4 64 B9R1.15 NC1=C(N=CC=N1)CO Z1198237691 [0,0,0,0,0,0|3,0,0]=3 65 B9R1.15 NCC1=C(C=CC=N1)F Z1575304378 [0,0,0,0,0,0|4,0,0]=4 66 B9R1.15 NCC1=C(C=CC=N1)N Z1198181626 [0,0,0,0,0,0|4,0,0]=4 67 B9R1.15 NCC1=C(C=CC=N1)O Z1198156472 [0,0,0,0,0,0|4,0,0]=4 68 B9R1.15 NCC1=C(N=CC=N1)Cl Z2472857434 [0,0,0,0,0,0|3,0,0]=3 69 B9R1.15 NNC1=C(C=CC=N1)N Z1203148325 [0,0,0,0,0,0|4,0,0]=4 70 B9R1.15 O=CC1=C(C=CC=N1)Br Z1201624233 [0,0,0,0,0,0|4,0,0]=4 71 B9R1.15 O=CC1=C(C=CC=N1)Cl Z1198267206 [0,0,0,0,0,0|4,0,0]=4 72 B9R1.15 O=CC1=C(C=CC=N1)F Z1201624236 [0,0,0,0,0,0|4,0,0]=4 73 B9R1.15 O=CC1=C(C=CC=N1)O Z1201623419 [0,0,0,0,0,0|4,0,0]=4 74 B9R1.15 OCC1=C(N=CC=C1)Cl Z979431808 [0,0,0,0,0,0|4,0,0]=4 75 B8R1.2 C=CC1=NC=CC=C1 Z104495554 [1,0,0,0,0,0|2,0,1]=4 76 B8R1.2 CCC1=CC=CC=C1 Z104473632 [1,0,0,0,0,0|3,0,0]=4 77 B8R1.2 CCC1=CN=CC=C1 Z104476778 [1,0,0,0,0,0|2,0,0]=3 78 B8R1.2 CCC1=NC=CC=C1 Z113558650 [1,0,0,0,0,0|2,0,0]=3 79 B8R1.2 CCC1=NC=CC=N1 Z1198725952 [1,0,0,0,0,0|3,0,0]=4 80 B8R1.2 CCC1=NC=NC=C1 Z1198725956 [1,0,0,0,0,0|3,0,0]=4 81 B8R1.2 CCC1=NN=CC=C1 Z1222425026 [1,0,0,0,0,0|3,0,0]=4 82 B8R1.2 CNC1=CC=CC=C1 Z104472478 [1,0,0,0,0,0|3,0,0]=4 83 B8R1.2 CNC1=CN=CC=C1 Z1082871080 [1,0,0,0,0,0|2,0,0]=3 84 B8R1.2 CNC1=NC=CC=N1 Z54628578 [1,0,0,0,0,0|3,0,0]=4 85 B8R1.2 CNC1=NC=NC=C1 Z800212728 [1,0,0,0,0,0|3,0,0]=4 86 B8R1.2 CNC1=NN=CC=C1 Z991530894 [1,0,0,0,0,0|3,0,0]=4 87 B8R1.2 CNC1=NN=CC=N1 Z1198323671 [1,0,0,0,0,0|2,0,0]=3 88 B8R1.2 COC1=CC=CC=C1 Z53833865 [1,0,0,0,0,0|2,1,0]=4 89 B8R1.2 CSC1=CC=NC=C1 Z1376456468 [1,0,0,0,0,0|3,0,0]=4 90 B8R1.2 CSC1=NC=CN=C1 Z1203162104 [1,0,0,0,0,0|0,0,0]=1 91 B8R1.2 N#CC1=CN=CC=C1 Z57899719 [1,0,0,0,0,0|3,0,0]=4 92 B8R1.2 N#CC1=NC=CN=C1 Z448103898 [1,0,0,0,0,0|2,0,0]=3 93 B8R1.2 NCC1=CN=CC=C1 Z104474366 [1,0,0,0,0,0|3,0,0]=4 94 B8R1.2 NCC1=NC=CC=C1 Z104474352 [1,0,0,0,0,0|3,0,0]=4 95 B8R1.2 NCC1=NC=CN=C1 Z241059702 [1,0,0,0,0,0|2,0,0]=3 96 B8R1.2 NNC1=NC=CC=C1 Z56887722 [1,0,0,0,0,0|3,0,0]=4 97 B8R1.2 O=CC1=CN=CC=C1 Z104472124 [1,0,0,0,0,0|3,0,0]=4 98 B8R1.2 O=CC1=NC=CC=C1 Z104472152 [1,0,0,0,0,0|3,0,0]=4 99 B8R1.2 O=CC1=NC=CN=C1 Z1013412214 [1,0,0,0,0,0|2,0,0]=3 100 B8R1.2 OCC1=CN=CC=C1 Z104495622 [1,0,0,0,0,0|3,0,0]=4 101 B8R1.2 OCC1=NC=CC=C1 Z57921252 [1,0,0,0,0,0|3,0,0]=4 102 B8R1.5 CC1=C(C=CC=C1)C Z212053190 [1,0,0,0,0,0|2,0,0]=3 103 B8R1.5 CC1=C(C=CC=C1)F Z104474026 [1,0,0,0,0,0|3,0,0]=4 104 B8R1.5 CC1=C(C=CC=C1)N Z57127943 [1,0,0,0,0,0|3,0,0]=4 105 B8R1.5 CC1=C(C=CC=C1)O Z104473822 [1,0,0,0,0,0|2,1,0]=4 106 B8R1.5 CC1=C(C=CC=N1)I Z1269190410 [1,0,0,0,0,0|2,0,0]=3 107 B8R1.5 CC1=C(C=CN=N1)N Z1964347676 [1,0,0,0,0,0|3,0,0]=4 108 B8R1.5 CC1=C(N=CC=C1)Br Z968908232 [1,0,0,0,0,0|2,0,0]=3 109 B8R1.5 CC1=C(N=CC=C1)C Z104472816 [1,0,0,0,0,0|1,0,0]=2 110 B8R1.5 CC1=C(N=CC=C1)N Z203045034 [1,0,0,0,0,0|2,0,0]=3 111 B8R1.5 CC1=C(N=CC=C1)S Z968907338 [1,0,0,0,0,0|1,0,0]=2 112 B8R1.5 CC1=C(N=CC=N1)Br Z1198181977 [1,0,0,0,0,0|1,0,0]=2 113 B8R1.5 CC1=C(N=CC=N1)C Z448248230 [1,0,0,0,0,0|0,0,0]=1 114 B8R1.5 CC1=C(N=CC=N1)Cl Z1198147877 [1,0,0,0,0,0|1,0,0]=2 115 B8R1.5 CC1=C(N=CC=N1)F Z1551948468 [1,0,0,0,0,0|1,0,0]=2 116 B8R1.5 CC1=C(N=CC=N1)N Z3068686273 [1,0,0,0,0,0|1,0,0]=2 117 B8R1.5 CC1=C(N=CC=N1)O Z1198157257 [1,0,0,0,0,0|0,1,0]=2 118 B8R1.5 CC1=C(N=CN=C1)C Z2760929781 [1,0,0,0,0,0|2,0,0]=3 119 B8R1.5 CC1=C(N=CN=C1)Cl Z1198176691 [1,0,0,0,0,0|3,0,0]=4 120 B8R1.5 CC1=C(N=NC=C1)Cl Z1198179855 [1,0,0,0,0,0|3,0,0]=4 121 B8R1.5 CC1=CC=CNC1=O Z1013766914 [1,0,0,0,0,0|1,1,1]=4 122 B8R1.5 CC1=[N+](C=CC=C1)C Z56791140 [1,0,0,0,0,0|3,0,0]=4 123 B8R1.5 CN1C=CC=NC1=O Z1198218328 [1,0,0,0,0,0|2,1,0]=4 124 B8R1.5 ClC1=C(C=CC=N1)Br Z808600354 [1,0,0,0,0,0|3,0,0]=4 125 B8R1.5 ClC1=C(N=CC=C1)Br Z415645050 [1,0,0,0,0,0|3,0,0]=4 126 B8R1.5 ClC1=C(N=CC=C1)Cl Z164708870 [1,0,0,0,0,0|3,0,0]=4 127 B8R1.5 ClC1=C(N=CC=N1)Br Z1255362476 [1,0,0,0,0,0|2,0,0]=3 128 B8R1.5 ClC1=C(N=CC=N1)Cl Z850504018 [1,0,0,0,0,0|2,0,0]=3 129 B8R1.5 ClC1=C(N=CC=N1)I Z1813099369 [1,0,0,0,0,0|2,0,0]=3 130 B8R1.5 FC1=C(C=CC=N1)I Z1238548161 [1,0,0,0,0,0|3,0,0]=4 131 B8R1.5 FC1=C(N=CC=C1)Br Z997724396 [1,0,0,0,0,0|3,0,0]=4 132 B8R1.5 FC1=C(N=CC=C1)Cl Z850328566 [1,0,0,0,0,0|3,0,0]=4 133 B8R1.5 FC1=C(N=CC=N1)Cl Z1551935456 [1,0,0,0,0,0|2,0,0]=3 134 B8R1.5 NC1=C(C=CC=N1)I Z363805876 [1,0,0,0,0,0|3,0,0]=4 135 B8R1.5 NC1=C(C=CC=N1)O Z104495292 [1,0,0,0,0,0|2,1,0]=4 136 B8R1.5 NC1=C(N=CC=C1)Cl Z104475710 [1,0,0,0,0,0|3,0,0]=4 137 B8R1.5 NC1=C(N=CC=C1)N Z385438806 [1,0,0,0,0,0|3,0,0]=4 138 B8R1.5 NC1=C(N=CC=C1)O Z969560564 [1,0,0,0,0,0|2,1,0]=4 139 B8R1.5 NC1=C(N=CC=C1)S Z411993618 [1,0,0,0,0,0|2,0,0]=3 140 B8R1.5 NC1=C(N=CC=N1)N Z1198174211 [1,0,0,0,0,0|2,0,0]=3 141 B8R1.5 NC1=C(N=CC=N1)S Z1203579756 [1,0,0,0,0,0|1,0,0]=2 142 B8R1.5 NC1=NC=CNC1=O Z3225902419 [1,0,0,0,0,0|1,1,1]=4 143 B8R1.5 OC1=C(C=CC=N1)F Z850327726 [1,0,0,0,0,0|2,1,0]=4 144 B8R1.5 OC1=C(N=CC=C1)F Z1198164106 [1,0,0,0,0,0|2,1,0]=4 145 B8R1.5 SC1=C(C=CC=N1)Br Z808603100 [1,0,0,0,0,0|2,0,0]=3 146 B8R1.5 SC1=C(C=CC=N1)Cl Z220567008 [1,0,0,0,0,0|2,0,0]=3 147 B10R1.2 CC1=C(C(=NC=C1)C#N)C Z1255436361 [0,1,0,0,0,0|3,0,0]=4 148 B10R1.2 CC1=C(N=CC=C1Cl)C=O Z1198173022 [0,1,0,0,0,0|3,0,0]=4 149 B10R1.2 CC1=C(N=CC=C1Cl)CN Z4500645661 [0,1,0,0,0,0|3,0,0]=4 150 B10R1.2 CC1=C(N=CC=C1N)CO Z1198331072 [0,1,0,0,0,0|3,0,0]=4 151 B10R1.2 CCC1=C(C(=CC=C1)O)C Z1255437459 [0,1,0,0,0,0|3,0,0]=4 152 B10R1.2 CNC1=C(C(=CC=C1)C)C Z752370992 [0,1,0,0,0,0|3,0,0]=4 153 B10R1.2 CNC1=C(C(=CC=C1)Cl)C Z3013892307 [0,1,0,0,0,0|3,0,0]=4 154 B10R1.2 CNC1=C(C(=CC=C1)F)C Z4386334733 [0,1,0,0,0,0|3,0,0]=4 155 B10R1.2 CNC1=C(C(=CC=N1)Br)F Z5349335476 [0,1,0,0,0,0|3,0,0]=4 156 B10R1.2 CNC1=C(C(=CC=N1)C)N Z1203638672 [0,1,0,0,0,0|3,0,0]=4 157 B10R1.2 COC1=C(C(=CC=C1)I)C Z1269190043 [0,1,0,0,0,0|2,1,0]=4 158 B10R1.2 COC1=C(C(=NC=N1)N)C Z1203653028 [0,1,0,0,0,0|2,1,0]=4 159 B10R1.2 CSC1=C(C(=CC=C1)C)N Z1255396897 [0,1,0,0,0,0|3,0,0]=4 160 B10R1.2 CSC1=C(C(=CC=C1)N)C Z1080528870 [0,1,0,0,0,0|2,0,0]=3 161 B10R1.4 CC1=C(C=CC=N1)CC#N Z1198263560 [0,1,0,0,0,0|2,0,1]=4 162 B10R1.4 CC1=C(N=CC=C1)CCN Z1098234132 [0,1,0,0,0,0|2,0,0]=3 163 B10R1.4 CC1=C(N=CC=C1)CCO Z1198169041 [0,1,0,0,0,0|2,0,0]=3 164 B10R1.4 CC1=C(N=CC=N1)CCO Z1198163945 [0,1,0,0,0,0|1,0,0]=2 165 B10R1.4 CCCC1=C(N=CC=N1)Cl Z1504680268 [0,1,0,0,0,0|2,0,0]=3 166 B10R1.4 CCNC1=C(C=CC=C1)C Z104477886 [0,1,0,0,0,0|3,0,0]=4 167 B10R1.4 CCNC1=C(C=CC=N1)C Z968907586 [0,1,0,0,0,0|2,0,0]=3 168 B10R1.4 CCNC1=C(C=CC=N1)N Z803145254 [0,1,0,0,0,0|3,0,0]=4 169 B10R1.4 CCOC1=C(C=CC=N1)N Z240084312 [0,1,0,0,0,0|2,1,0]=4 170 B10R1.4 CCOC1=C(N=CC=C1)N Z362783900 [0,1,0,0,0,0|2,1,0]=4 171 B10R1.4 CCSC1=C(C=CC=C1)Br Z149386616 [0,1,0,0,0,0|3,0,0]=4 172 B10R1.4 CCSC1=C(C=CC=C1)N Z316174690 [0,1,0,0,0,0|3,0,0]=4 173 B10R1.4 CCSC1=C(C=CC=C1)O Z905204460 [0,1,0,0,0,0|3,0,0]=4 174 B10R1.4 CCSC1=CC=CNC1=O Z1509297963 [0,1,0,0,0,0|2,0,1]=4 175 B10R1.4 CNCC1=C(C=CC=C1)C Z56948272 [0,1,0,0,0,0|3,0,0]=4 176 B10R1.4 CNCC1=C(C=CC=N1)Cl Z5392638231 [0,1,0,0,0,0|3,0,0]=4 177 B10R1.4 COCC1=C(N=CC=C1)N Z991490684 [0,1,0,0,0,0|2,1,0]=4 178 B10R1.4 CSCC1=C(C=CC=C1)N Z732207148 [0,1,0,0,0,0|3,0,0]=4 179 B10R1.4 N#CCC1=C(N=CC=N1)Cl Z1255498354 [0,1,0,0,0,0|2,0,1]=4 180 B10R1.4 NCCC1=C(N=CC=C1)O Z5862214540 [0,1,0,0,0,0|3,0,0]=4 181 B10R1.20 C#CC1=C(C=CC=C1)SC Z1080385852 [0,1,0,0,0,0|2,0,1]=4 182 B10R1.20 CCC1=C(C=CC=C1)CN Z979776472 [0,1,0,0,0,0|3,0,0]=4 183 B10R1.20 CCC1=C(C=CC=C1)NC Z335279298 [0,1,0,0,0,0|3,0,0]=4 184 B10R1.20 CCC1=C(C=CC=N1)C=O Z3241890674 [0,1,0,0,0,0|2,0,1]=4 185 B10R1.20 CCC1=C(N=CC=C1)C#N Z1198166295 [0,1,0,0,0,0|2,0,1]=4 186 B10R1.20 CCC1=C(N=CC=C1)C=O Z1255375872 [0,1,0,0,0,0|2,0,1]=4 187 B10R1.20 CNC1=C(C=CC=C1)CN Z4928209572 [0,1,0,0,0,0|3,0,0]=4 188 B10R1.20 CNC1=C(C=CC=C1)SC Z1082871500 [0,1,0,0,0,0|2,0,0]=3 189 B10R1.20 CNC1=C(C=CC=N1)C#N Z86242656 [0,1,0,0,0,0|2,0,1]=4 190 B10R1.20 CNC1=C(C=CC=N1)C=O Z1198166160 [0,1,0,0,0,0|2,0,1]=4 191 B10R1.20 CNC1=C(C=CC=N1)CN Z4763824006 [0,1,0,0,0,0|2,0,0]=3 192 B10R1.20 CNC1=C(N=CC=C1)C#N Z1255418794 [0,1,0,0,0,0|2,0,1]=4 193 B10R1.20 CNC1=C(N=CC=C1)OC Z1082871982 [0,1,0,0,0,0|1,1,0]=3 194 B10R1.20 CNC1=C(N=CC=N1)C#N Z995018658 [0,1,0,0,0,0|1,0,1]=3 195 B10R1.20 COC1=C(C=CC=C1)CN Z57102476 [0,1,0,0,0,0|2,1,0]=4 196 B10R1.20 COC1=C(C=CC=C1)CO Z104479146 [0,1,0,0,0,0|2,1,0]=4 197 B10R1.20 COC1=C(C=CC=C1)OC Z53833941 [0,1,0,0,0,0|2,1,0]=4 198 B10R1.20 COC1=C(C=CC=N1)C#N Z31131631 [0,1,0,0,0,0|1,1,1]=4 199 B10R1.20 COC1=C(C=CC=N1)C=O Z1079442776 [0,1,0,0,0,0|1,1,1]=4 200 B10R1.20 COC1=C(C=CC=N1)CO Z800297974 [0,1,0,0,0,0|1,1,0]=3 201 B10R1.20 COC1=C(N=CC=C1)C=O Z1198165843 [0,1,0,0,0,0|1,1,1]=4 202 B10R1.20 COC1=C(N=CC=N1)C=O Z1198266659 [0,1,0,0,0,0|0,1,1]=3 203 B10R1.20 COC1=C(N=CC=N1)CO Z1661095795 [0,1,0,0,0,0|0,1,0]=2 204 B10R1.20 CSC1=C(C=CC=C1)CN Z4617552846 [0,1,0,0,0,0|2,0,0]=3 205 B10R1.20 CSC1=C(C=CC=C1)CO Z1157829842 [0,1,0,0,0,0|2,0,0]=3 206 B10R1.20 CSC1=C(C=CC=N1)CO Z1198184816 [0,1,0,0,0,0|1,0,0]=2 207 B10R1.20 CSC1=C(C=NC=C1)CN Z4560471267 [0,1,0,0,0,0|3,0,0]=4 208 B10R1.20 CSC1=C(N=CC=C1)C#N Z1216838155 [0,1,0,0,0,0|1,0,1]=3 209 B10R1.20 CSC1=C(N=CC=N1)C#N Z995023946 [0,1,0,0,0,0|0,0,1]=2 210 B10R1.25 CC1=C(C=CC(=N1)Cl)CO Z1255459281 [0,1,0,0,0,0|3,0,0]=4 211 B10R1.25 CC1=C(C=CC(=N1)N)C#N Z1203578828 [0,1,0,0,0,0|3,0,0]=4 212 B10R1.25 CC1=C(C=CC(=N1)O)C#N Z1198261701 [0,1,0,0,0,0|3,0,0]=4 213 B10R1.25 CC1=C(N=CC(=C1)Br)C#N Z1255391870 [0,1,0,0,0,0|3,0,0]=4 214 B10R1.25 CC1=C(N=CC(=C1)Br)C=O Z1269148473 [0,1,0,0,0,0|3,0,0]=4 215 B10R1.25 CC1=C(N=CC(=C1)Br)CO Z1269233464 [0,1,0,0,0,0|3,0,0]=4 216 B10R1.25 CC1=CC(=C(N=C1)C#N)C Z1255450782 [0,1,0,0,0,0|3,0,0]=4 217 B10R1.25 CC1=CC(=C(N=C1)C=O)C Z1198234199 [0,1,0,0,0,0|3,0,0]=4 218 B10R1.25 CC1=NC(=C(C=C1)C=O)C Z1079442778 [0,1,0,0,0,0|3,0,0]=4 219 B10R1.25 CC1=NC(=C(N=C1)C=O)C Z1255418740 [0,1,0,0,0,0|2,0,0]=3 220 B10R1.25 CCC1=C(N=C(C=C1)C)N Z1201619216 [0,1,0,0,0,0|3,0,0]=4 221 B10R1.25 CNC1=C(C=C(C=C1)Br)C Z335260018 [0,1,0,0,0,0|3,0,0]=4 222 B10R1.25 CNC1=C(C=C(C=C1)C)C Z335249338 [0,1,0,0,0,0|3,0,0]=4 223 B10R1.25 CNC1=C(C=C(C=C1)N)C Z385462228 [0,1,0,0,0,0|3,0,0]=4 224 B10R1.25 CNC1=C(C=C(C=C1)O)C Z2740415969 [0,1,0,0,0,0|3,0,0]=4 225 B10R1.25 CNC1=C(C=C(C=N1)Br)N Z784893422 [0,1,0,0,0,0|3,0,0]=4 226 B10R1.25 CNC1=C(C=C(C=N1)Cl)Cl Z54160747 [0,1,0,0,0,0|3,0,0]=4 227 B10R1.25 CNC1=C(C=C(C=N1)F)F Z1982493995 [0,1,0,0,0,0|3,0,0]=4 228 B10R1.25 COC1=C(C=C(C=C1)N)C Z385462626 [0,1,0,0,0,0|2,1,0]=4 229 B10R1.25 COC1=C(C=C(C=N1)Br)Cl Z1269109728 [0,1,0,0,0,0|2,1,0]=4 230 B10R1.25 COC1=C(C=C(C=N1)Cl)Br Z1269201911 [0,1,0,0,0,0|2,1,0]=4 231 B10R1.25 COC1=C(N=C(C=C1)C)N Z955136104 [0,1,0,0,0,0|2,1,0]=4 232 B10R1.25 CSC1=C(C=C(C=C1)Br)N Z412043196 [0,1,0,0,0,0|3,0,0]=4 233 B10R1.25 CSC1=C(C=C(C=C1)Cl)N Z234894267 [0,1,0,0,0,0|3,0,0]=4 234 B10R1.25 CSC1=C(C=C(C=C1)F)N Z803129932 [0,1,0,0,0,0|3,0,0]=4 235 B10R1.25 CSC1=C(C=C(C=C1)N)Br Z852342876 [0,1,0,0,0,0|3,0,0]=4 236 B10R1.25 CSC1=C(C=C(C=C1)N)Cl Z412040302 [0,1,0,0,0,0|3,0,0]=4 237 B10R1.25 CSC1=C(C=C(C=C1)N)F Z412032312 [0,1,0,0,0,0|3,0,0]=4 238 B10R1.25 CSC1=C(C=C(C=C1)O)Br Z1269227695 [0,1,0,0,0,0|3,0,0]=4 239 B10R1.25 CSC1=C(C=C(C=C1)O)C Z277164168 [0,1,0,0,0,0|2,0,0]=3 240 B10R1.25 ClC1=NC(=C(N=C1)CBr)Cl Z1486028094 [0,1,0,0,0,0|3,0,0]=4 241 B10R1.25 NCC1=C(N=C(C=N1)Cl)Cl Z2568737584 [0,1,0,0,0,0|3,0,0]=4 242 B10R1.30 C#CC1=C(N=CC(=C1)N)C Z1203586556 [0,1,0,0,0,0|2,0,1]=4 243 B10R1.30 CC1=C(N=C(C=C1)Br)C#N Z1263715797 [0,1,0,0,0,0|3,0,0]=4 244 B10R1.30 CC1=C(N=C(C=C1)Cl)C#N Z1255500696 [0,1,0,0,0,0|3,0,0]=4 245 B10R1.30 CC1=C(N=C(C=C1)N)C#N Z1198176017 [0,1,0,0,0,0|3,0,0]=4 246 B10R1.30 CC1=NC(=C(N=C1)Cl)C#N Z1551942864 [0,1,0,0,0,0|3,0,0]=4 247 B10R1.30 CCC1=C(C=CC(=C1)Br)C Z1813137877 [0,1,0,0,0,0|3,0,0]=4 248 B10R1.30 CCC1=C(C=CC(=N1)C)O Z1741975119 [0,1,0,0,0,0|3,0,0]=4 249 B10R1.30 CCC1=C(N=CC(=C1)Cl)N Z1197892627 [0,1,0,0,0,0|3,0,0]=4 250 B10R1.30 CCC1=C(N=CC(=C1)N)C Z3033333120 [0,1,0,0,0,0|2,0,0]=3 251 B10R1.30 CNC1=C(C=CC(=C1)C)C Z752370986 [0,1,0,0,0,0|3,0,0]=4 252 B10R1.30 CNC1=C(C=CC(=C1)Cl)C Z335247946 [0,1,0,0,0,0|3,0,0]=4 253 B10R1.30 COC1=C(C=CC(=N1)C)O Z1255397596 [0,1,0,0,0,0|2,1,0]=4 254 B10R1.30 COC1=C(C=CC(=N1)N)Br Z1269195904 [0,1,0,0,0,0|2,1,0]=4 255 B10R1.30 COC1=C(N=CC(=C1)Br)C Z1269222409 [0,1,0,0,0,0|1,1,0]=3 256 B10R1.30 COC1=C(N=CC(=C1)Br)N Z1269156807 [0,1,0,0,0,0|2,1,0]=4 257 B10R1.30 CSC1=C(C=CC(=C1)N)C Z992937584 [0,1,0,0,0,0|2,0,0]=3 258 B10R1.30 CSC1=C(C=CC(=C1)N)Cl Z1262638327 [0,1,0,0,0,0|3,0,0]=4 259 B10R1.30 CSC1=C(C=CC(=C1)O)N Z1255433773 [0,1,0,0,0,0|3,0,0]=4 260 B10R1.30 CSC1=C(C=NC(=N1)Cl)C Z1302432091 [0,1,0,0,0,0|2,0,0]=3 261 B10R1.30 CSC1=C(C=NC(=N1)N)Br Z1431226680 [0,1,0,0,0,0|3,0,0]=4 262 B10R1.30 N#CC1=C(N=CC(=N1)Cl)Cl Z1386995279 [0,1,0,0,0,0|3,0,0]=4 263 B10R1.30 N#CC1=C(N=CC(=N1)F)F Z1469138425 [0,1,0,0,0,0|3,0,0]=4 264 B10R1.30 NC1=C(N=C(C=N1)Br)C=O Z1269237769 [0,1,0,0,0,0|3,0,0]=4 265 B10R1.61 CC(=O)C1=C(C=CC=N1)O Z1198175942 [0,1,0,0,0,0|3,0,0]=4 266 B10R1.61 CC(=O)C1=C(N=CC=C1)Br Z1269140470 [0,1,0,0,0,0|3,0,0]=4 267 B10R1.61 CC(=O)C1=C(N=CC=C1)Cl Z1154360549 [0,1,0,0,0,0|3,0,0]=4 268 B10R1.61 CC(=O)C1=C(N=CC=N1)Cl Z1198277886 [0,1,0,0,0,0|2,0,0]=3 269 B10R1.61 CC(C)C1=C(C=CC=N1)N Z1416177001 [0,1,0,0,0,0|3,0,0]=4 270 B10R1.61 CC(C)C1=C(N=CC=C1)N Z1192017957 [0,1,0,0,0,0|3,0,0]=4 271 B10R1.61 CC(C)C1=C(N=CC=N1)Cl Z1255497724 [0,1,0,0,0,0|2,0,0]=3 272 B10R1.61 CC(C)C1=NC=CNC1=O Z1203732938 [0,1,0,0,0,0|2,0,1]=4 273 B10R1.61 CC(N)C1=C(C=CC=N1)Br Z3925841137 [0,1,0,0,0,0|3,0,0]=4 274 B10R1.61 CC(N)C1=C(C=CC=N1)F Z2284396256 [0,1,0,0,0,0|3,0,0]=4 275 B10R1.61 CC1=C(C=CC=C1)C(C)O Z335245068 [0,1,0,0,0,0|3,0,0]=4 276 B10R1.61 CC1=C(C=CC=C1)[C@@H](C)O Z360055768 [0,1,0,0,0,0|3,0,0]=4 277 B10R1.61 CC1=C(C=CC=N1)C(=O)O Z1276602308 [0,1,0,0,0,0|3,0,0]=4 278 B10R1.61 CC1=C(C=CC=N1)C(C)N Z4511547602 [0,1,0,0,0,0|2,0,0]=3 279 B10R1.61 CC1=C(C=CC=N1)C(C)O Z1766930129 [0,1,0,0,0,0|2,0,0]=3 280 B10R1.61 CC1=C(N=CC=C1)C(=O)O Z976634736 [0,1,0,0,0,0|3,0,0]=4 281 B10R1.61 CC1=C(N=CC=N1)C(=O)O Z1205494130 [0,1,0,0,0,0|2,0,0]=3 282 B10R1.61 CN(C)C1=C(N=CC=C1)N Z1203587145 [0,1,0,0,0,0|3,0,0]=4 283 B10R1.61 C[C@H](N)C1=C(C=CC=N1)F Z1924739255 [0,1,0,0,0,0|3,0,0]=4 284 B10R1.61 FC(F)C1=C(N=CC=N1)Cl Z1813160247 [0,1,0,0,0,0|3,0,0]=4 285 B10R1.61 NC(=O)C1=C(N=CC=N1)Cl Z1198235057 [0,1,0,0,0,0|3,0,0]=4 286 B10R1.61 NC(=O)C1=C(N=CC=N1)N Z1198161815 [0,1,0,0,0,0|3,0,0]=4 287 B10R1.61 NC(=O)C1=C(N=CC=N1)O Z1201619905 [0,1,0,0,0,0|3,0,0]=4 288 B10R1.61 NC1=C(N=CC=N1)C(=O)O Z56818526 [0,1,0,0,0,0|3,0,0]=4 289 B10R1.61 O=C(O)C1=C(N=CC=N1)Br Z1269173189 [0,1,0,0,0,0|3,0,0]=4 290 B10R1.61 O=C(O)C1=C(N=CC=N1)Cl Z1201620959 [0,1,0,0,0,0|3,0,0]=4 291 B10R1.245 CC1=NC=CC(=C1C=O)C Z1198311053 [0,1,0,0,0,0|3,0,0]=4 292 B10R1.245 CC1=NC=CC(=C1CN)C Z4873736570 [0,1,0,0,0,0|3,0,0]=4 293 B10R1.245 CC1=NC=CC(=C1CO)C Z1255444936 [0,1,0,0,0,0|3,0,0]=4 294 B10R1.245 CSC1=C(C=CC=C1N)Cl Z412037466 [0,1,0,0,0,0|3,0,0]=4 295 B10R1.245 CSC1=C(C=CC=C1N)F Z1262642980 [0,1,0,0,0,0|3,0,0]=4 296 B10R2.7 C1=CC2=C(C=C1)NCC2 Z104475582 [0,0,0,1,0,0|3,0,0]=4 297 B10R2.7 C1=CC2=C(C=C1)OCC2 Z104505448 [0,0,0,1,0,0|2,1,0]=4 298 B10R2.7 C1=CC2=C(CCN2)N=C1 Z1203748137 [0,0,0,1,0,0|2,0,0]=3 299 B10R2.7 C1=CC2=C(CNC2)N=C1 Z1741974952 [0,0,0,1,0,0|3,0,0]=4 300 B10R2.7 C1=CC2=C(N1)N=CC=N2 Z1198233190 [0,0,0,1,0,0|1,0,2]=4 301 B10R2.7 C1=CC2=C(N=C1)NCC2 Z979438826 [0,0,0,1,0,0|2,0,0]=3 302 B10R2.7 C1=NC2=C(N=C1)NC=N2 Z1198180623 [0,0,0,1,0,0|2,0,1]=4 303 B10R2.7 C1=NC2=C(N=C1)SC=N2 Z2044801495 [0,0,0,1,0,0|1,0,1]=3 304 B8R1.11 C#CC1=CC=NN1C Z1183446001 [0,0,0,0,1,0|2,0,1]=4 305 B8R1.11 CC1=C(C=CO1)C#N Z1079178988 [0,0,0,0,1,0|3,0,0]=4 306 B8R1.11 CC1=C(C=CO1)C=O Z1079442526 [0,0,0,0,1,0|3,0,0]=4 307 B8R1.11 CC1=C(C=CO1)CN Z803145352 [0,0,0,0,1,0|3,0,0]=4 308 B8R1.11 CC1=C(C=CO1)CO Z397587324 [0,0,0,0,1,0|3,0,0]=4 309 B8R1.11 CC1=C(C=CS1)C=O Z1255365611 [0,0,0,0,1,0|3,0,0]=4 310 B8R1.11 CC1=C(C=CS1)CN Z3034293414 [0,0,0,0,1,0|3,0,0]=4 311 B8R1.11 CC1=C(N=CN1)C#N Z1203746667 [0,0,0,0,1,0|2,0,1]=4 312 B8R1.11 CC1=C(N=CN1)CN Z1318147471 [0,0,0,0,1,0|2,0,1]=4 313 B8R1.11 CC1=C(N=CN1)CO Z173808378 [0,0,0,0,1,0|2,0,1]=4 314 B8R1.11 CC1=C(N=CO1)C=O Z1198279989 [0,0,0,0,1,0|3,0,0]=4 315 B8R1.11 CC1=C(N=CS1)C=O Z1198279987 [0,0,0,0,1,0|3,0,0]=4 316 B8R1.11 CC1=C(N=CS1)CN Z317098554 [0,0,0,0,1,0|3,0,0]=4 317 B8R1.11 CC1=C(N=CS1)CO Z1198176703 [0,0,0,0,1,0|3,0,0]=4 318 B8R1.11 CC1=C(NC=N1)C=O Z2686040987 [0,0,0,0,1,0|2,0,1]=4 319 B8R1.11 CC1=C(OC=C1)C=O Z1079442566 [0,0,0,0,1,0|3,0,0]=4 320 B8R1.11 CC1=C(OC=C1)CN Z291234200 [0,0,0,0,1,0|3,0,0]=4 321 B8R1.11 CC1=C(OC=N1)C#N Z1255488418 [0,0,0,0,1,0|3,0,0]=4 322 B8R1.11 CC1=C(OC=N1)C=O Z1198279990 [0,0,0,0,1,0|3,0,0]=4 323 B8R1.11 CC1=C(OC=N1)CN Z2939254026 [0,0,0,0,1,0|3,0,0]=4 324 B8R1.11 CC1=C(OC=N1)CO Z1198166472 [0,0,0,0,1,0|3,0,0]=4 325 B8R1.11 CC1=C(SC=C1)C#N Z381355194 [0,0,0,0,1,0|3,0,0]=4 326 B8R1.11 CC1=C(SC=C1)C=O Z104477012 [0,0,0,0,1,0|3,0,0]=4 327 B8R1.11 CC1=C(SC=C1)CN Z235352157 [0,0,0,0,1,0|3,0,0]=4 328 B8R1.11 CC1=C(SC=N1)C=O Z1079442366 [0,0,0,0,1,0|3,0,0]=4 329 B8R1.11 CC1=C(SC=N1)CN Z291234254 [0,0,0,0,1,0|3,0,0]=4 330 B8R1.11 CC1=C(SC=N1)CO Z397587526 [0,0,0,0,1,0|3,0,0]=4 331 B8R1.11 CC1=CNN=C1C=O Z2418414008 [0,0,0,0,1,0|3,0,0]=4 332 B8R1.11 CC1=CNN=C1CO Z1898597737 [0,0,0,0,1,0|3,0,0]=4 333 B8R1.11 CC1=CON=C1C=O Z1198279956 [0,0,0,0,1,0|3,0,0]=4 334 B8R1.11 CC1=CSN=C1C=O Z1198279979 [0,0,0,0,1,0|3,0,0]=4 335 B8R1.11 CC1=NC=CN1C#N Z1198314041 [0,0,0,0,1,0|3,0,0]=4 336 B8R1.11 CC1=NNC=C1C=O Z319610836 [0,0,0,0,1,0|3,0,0]=4 337 B8R1.11 CC1=NOC=C1C=O Z1198279977 [0,0,0,0,1,0|3,0,0]=4 338 B8R1.11 CC1=NON=C1CN Z1269638429 [0,0,0,0,1,0|3,0,0]=4 339 B8R1.11 CC1=NON=C1CO Z1188433422 [0,0,0,0,1,0|3,0,0]=4 340 B8R1.11 CC1=NSC=C1C=O Z1198279895 [0,0,0,0,1,0|3,0,0]=4 341 B8R1.11 CCC1=CNN=C1N Z1741979116 [0,0,0,0,1,0|3,0,0]=4 342 B8R1.11 CCC1=NN=CN1C Z992282430 [0,0,0,0,1,0|3,0,0]=4 343 B8R1.11 CCC1=NON=C1N Z359374178 [0,0,0,0,1,0|3,0,0]=4 344 B8R1.11 CCC1=NSC=C1N Z5711193458 [0,0,0,0,1,0|3,0,0]=4 345 B8R1.11 CCN1C=CN=C1N Z594268182 [0,0,0,0,1,0|3,0,0]=4 346 B8R1.11 CCN1C=CN=C1S Z220434788 [0,0,0,0,1,0|3,0,0]=4 347 B8R1.11 CCN1C=NN=C1C Z992282678 [0,0,0,0,1,0|3,0,0]=4 348 B8R1.11 CCN1N=CC=C1N Z56347291 [0,0,0,0,1,0|3,0,0]=4 349 B8R1.11 CN1C=CN=C1C#N Z1116403969 [0,0,0,0,1,0|3,0,0]=4 350 B8R1.11 CN1C=CN=C1C=O Z363989438 [0,0,0,0,1,0|3,0,0]=4 351 B8R1.11 CN1C=CN=C1CCl Z90122361 [0,0,0,0,1,0|3,0,0]=4 352 B8R1.11 CN1C=CN=C1CN Z235536854 [0,0,0,0,1,0|3,0,0]=4 353 B8R1.11 CN1C=CN=C1CO Z212169576 [0,0,0,0,1,0|3,0,0]=4 354 B8R1.11 CN1N=CC=C1C=O Z325191230 [0,0,0,0,1,0|3,0,0]=4 355 B8R1.11 CN1N=CC=C1CN Z316122740 [0,0,0,0,1,0|3,0,0]=4 356 B8R1.11 CN1N=CC=C1CO Z501748978 [0,0,0,0,1,0|3,0,0]=4 357 B8R1.11 CN1N=CN=C1CO Z2786104722 [0,0,0,0,1,0|3,0,0]=4 358 B8R1.11 CNC1=CC=NN1C Z1259162018 [0,0,0,0,1,0|2,0,0]=3 359 B8R1.11 CNC1=NN=NN1C Z1095338548 [0,0,0,0,1,0|3,0,0]=4 360 B8R1.11 COC1=NNC=C1C Z2943419549 [0,0,0,0,1,0|1,1,0]=3 361 B8R1.11 COC1=NSC=C1N Z2768512024 [0,0,0,0,1,0|2,1,0]=4 362 B8R1.11 CSC1=CNN=C1N Z802600050 [0,0,0,0,1,0|2,0,0]=3 363 B8R1.11 CSC1=NC=CN1C Z18499760 [0,0,0,0,1,0|1,0,0]=2 364 B8R1.11 CSC1=NCCN1C Z1269243967 [0,0,0,0,1,0|1,0,2]=4 365 B7R1.3 BrC1=NC=CN=C1 Z415645016 [2,0,0,0,0,0|1,0,0]=3 366 B7R1.3 CC1=CN=CC=C1 Z104475010 [2,0,0,0,0,0|1,0,0]=3 367 B7R1.3 CC1=CN=NC=C1 Z1255398931 [2,0,0,0,0,0|2,0,0]=4 368 B7R1.3 CC1=NC=CC=C1 Z104472800 [2,0,0,0,0,0|1,0,0]=3 369 B7R1.3 CC1=NC=CN=C1 Z415628164 [2,0,0,0,0,0|0,0,0]=2 370 B7R1.3 CC1=NN=CC=C1 Z1245648324 [2,0,0,0,0,0|2,0,0]=4 371 B7R1.3 ClC1=NC=CN=C1 Z104490192 [2,0,0,0,0,0|1,0,0]=3 372 B7R1.3 IC1=NC=CN=C1 Z1235940810 [2,0,0,0,0,0|1,0,0]=3 373 B7R1.3 NC1=CN=CC=C1 Z104494800 [2,0,0,0,0,0|2,0,0]=4 374 B7R1.3 NC1=NC=CC=C1 Z104472278 [2,0,0,0,0,0|2,0,0]=4 375 B7R1.3 NC1=NC=CN=C1 Z56899063 [2,0,0,0,0,0|1,0,0]=3 376 B7R1.3 NC1=NC=NN=C1 Z1203581736 [2,0,0,0,0,0|2,0,0]=4 377 B7R1.3 NC1=NN=CC=N1 Z104477884 [2,0,0,0,0,0|2,0,0]=4 378 B7R1.3 O=C1C=NC=CN1 Z3225868124 [2,0,0,0,0,0|0,1,1]=4 379 B7R1.3 OC1=CN=CC=C1 Z104476790 [2,0,0,0,0,0|1,1,0]=4 380 B7R1.3 SC1=NC=CC=C1 Z203045372 [2,0,0,0,0,0|1,0,0]=3 381 B7R1.3 SC1=NC=CC=N1 Z87001196 [2,0,0,0,0,0|2,0,0]=4 382 B7R1.3 SC1=NC=CN=C1 Z239089534 [2,0,0,0,0,0|0,0,0]=2 383 B9R1.1 BrCC1=NC=C(N=C1)Br Z3244822385 [1,1,0,0,0,0|2,0,0]=4 384 B9R1.1 C#CC1=CN=C(C=N1)Cl Z1255362190 [1,1,0,0,0,0|1,0,1]=4 385 B9R1.1 CC1=NC=C(N=C1)C#N Z1198164470 [1,1,0,0,0,0|2,0,0]=4 386 B9R1.1 CC1=NC=C(N=C1)C=O Z1079442402 [1,1,0,0,0,0|2,0,0]=4 387 B9R1.1 CC1=NC=C(N=C1)CN Z3271770568 [1,1,0,0,0,0|2,0,0]=4 388 B9R1.1 CC1=NC=C(N=C1)CO Z397587476 [1,1,0,0,0,0|2,0,0]=4 389 B9R1.1 CCC1=CN=C(C=C1)N Z1198224278 [1,1,0,0,0,0|2,0,0]=4 390 B9R1.1 CCC1=NC=C(N=C1)Br Z1198319305 [1,1,0,0,0,0|1,0,0]=3 391 B9R1.1 CNC1=NC=C(C=C1)Br Z359297630 [1,1,0,0,0,0|2,0,0]=4 392 B9R1.1 CNC1=NC=C(C=C1)C Z359297596 [1,1,0,0,0,0|2,0,0]=4 393 B9R1.1 CNC1=NC=C(C=C1)Cl Z359297632 [1,1,0,0,0,0|2,0,0]=4 394 B9R1.1 CNC1=NC=C(C=C1)F Z802823886 [1,1,0,0,0,0|2,0,0]=4 395 B9R1.1 COC1=CN=C(C=C1)C Z1198232754 [1,1,0,0,0,0|1,1,0]=4 396 B9R1.1 COC1=NC=C(C=C1)Br Z808608370 [1,1,0,0,0,0|1,1,0]=4 397 B9R1.1 COC1=NC=C(C=C1)Cl Z1094698482 [1,1,0,0,0,0|1,1,0]=4 398 B9R1.1 COC1=NC=C(C=C1)N Z56899049 [1,1,0,0,0,0|1,1,0]=4 399 B9R1.1 COC1=NC=C(C=C1)O Z1201623942 [1,1,0,0,0,0|1,1,0]=4 400 B9R1.1 CSC1=CC=C(C=C1)N Z104511114 [1,1,0,0,0,0|2,0,0]=4 401 B9R1.1 CSC1=CN=C(C=C1)N Z412025068 [1,1,0,0,0,0|1,0,0]=3 402 B9R1.1 CSC1=NC=C(C=C1)N Z412022842 [1,1,0,0,0,0|1,0,0]=3 403 B9R1.1 CSC1=NC=C(C=N1)Br Z729560458 [1,1,0,0,0,0|2,0,0]=4 404 B9R1.1 CSC1=NC=C(C=N1)O Z1198152371 [1,1,0,0,0,0|2,0,0]=4 405 B9R1.1 CSC1=NN=C(C=C1)Br Z1269231852 [1,1,0,0,0,0|2,0,0]=4 406 B9R1.1 CSC1=NN=C(C=C1)Cl Z732207922 [1,1,0,0,0,0|2,0,0]=4 407 B9R1.1 CSC1=NN=C(C=N1)C Z1255500736 [1,1,0,0,0,0|1,0,0]=3 408 B9R1.1 CSC1=NNC(=O)C=C1 Z3300726140 [1,1,0,0,0,0|2,0,0]=4 409 B9R1.1 ClCC1=NC=C(N=C1)Cl Z1198277950 [1,1,0,0,0,0|2,0,0]=4 410 B9R1.1 N#CC1=CN=C(C=N1)Cl Z1095350204 [1,1,0,0,0,0|2,0,0]=4 411 B9R1.1 N#CC1=CN=C(C=N1)F Z1681360151 [1,1,0,0,0,0|2,0,0]=4 412 B9R1.1 NC1=NC=C(N=C1)CO Z1203583050 [1,1,0,0,0,0|2,0,0]=4 413 B9R1.1 NCC1=NC=C(N=C1)Br Z1416181963 [1,1,0,0,0,0|2,0,0]=4 414 B9R1.1 NCC1=NC=C(N=C1)Cl Z1198278893 [1,1,0,0,0,0|2,0,0]=4 415 B9R1.1 OCC1=NC=C(N=C1)Br Z1255381074 [1,1,0,0,0,0|2,0,0]=4 416 B9R1.2 CC1=NC(=CN=C1)C#N Z1198181973 [1,1,0,0,0,0|2,0,0]=4 417 B9R1.2 CCC1=NC(=CC=C1)C Z1255485781 [1,1,0,0,0,0|2,0,0]=4 418 B9R1.2 CNC1=CC(=CN=C1)Br Z1255444030 [1,1,0,0,0,0|2,0,0]=4 419 B9R1.2 CNC1=NC(=CC=C1)C Z600403388 [1,1,0,0,0,0|2,0,0]=4 420 B9R1.2 COC1=NC(=CC=C1)O Z1198172138 [1,1,0,0,0,0|1,1,0]=4 421 B9R1.2 COC1=NC(=CN=C1)N Z1198261569 [1,1,0,0,0,0|0,1,0]=3 422 B9R1.2 COC1=NC=CC(=C1)Cl Z1201623697 [1,1,0,0,0,0|1,1,0]=4 423 B9R1.2 CSC1=CC(=CC=C1)N Z104472758 [1,1,0,0,0,0|2,0,0]=4 424 B9R1.2 CSC1=CC(=CN=C1)N Z2239020735 [1,1,0,0,0,0|1,0,0]=3 425 B9R1.2 CSC1=NC(=CC=N1)C Z275763960 [1,1,0,0,0,0|2,0,0]=4 426 B9R1.2 CSC1=NC(=CC=N1)Cl Z1255485306 [1,1,0,0,0,0|2,0,0]=4 427 B9R1.2 CSC1=NC(=CC=N1)O Z54178262 [1,1,0,0,0,0|2,0,0]=4 428 B9R1.2 CSC1=NC(=CN=C1)Cl Z732207920 [1,1,0,0,0,0|0,0,0]=2 429 B9R1.2 CSC1=NC(=CN=N1)C Z1255426895 [1,1,0,0,0,0|1,0,0]=3 430 B9R1.2 CSC1=NC(=NC=C1)Cl Z976663640 [1,1,0,0,0,0|2,0,0]=4 431 B9R1.2 CSC1=NC(=NC=C1)I Z1269214861 [1,1,0,0,0,0|2,0,0]=4 432 B9R1.2 CSC1=NC(=NC=C1)N Z1203583461 [1,1,0,0,0,0|2,0,0]=4 433 B9R1.2 CSC1=NC(=O)NC=C1 Z1203731116 [1,1,0,0,0,0|2,0,0]=4 434 B9R1.2 CSC1=NC=CC(=C1)N Z851811592 [1,1,0,0,0,0|1,0,0]=3 435 B9R1.2 CSC1=NC=CC(=C1)O Z1255421960 [1,1,0,0,0,0|1,0,0]=3 436 B9R1.2 CSC1=NC=NC(=C1)Br Z1269212935 [1,1,0,0,0,0|2,0,0]=4 437 B9R1.2 CSC1=NC=NC(=C1)N Z1203579768 [1,1,0,0,0,0|2,0,0]=4 438 B9R1.2 CSC1=NN=CC(=O)N1 Z276550462 [1,1,0,0,0,0|1,0,1]=4 439 B9R1.2 ClCC1=NC(=CN=C1)Cl Z1255357868 [1,1,0,0,0,0|2,0,0]=4 440 B9R1.2 N#CC1=CN=CC(=N1)Br Z1165304242 [1,1,0,0,0,0|2,0,0]=4 441 B9R1.2 N#CC1=CN=CC(=N1)Cl Z1165304152 [1,1,0,0,0,0|2,0,0]=4 442 B9R1.2 N#CC1=CN=CC(=N1)F Z1681360134 [1,1,0,0,0,0|2,0,0]=4 443 B9R1.2 NC1=NC(=CN=C1)CO Z1203641562 [1,1,0,0,0,0|2,0,0]=4 444 B9R1.2 NCC1=NC(=CN=C1)Cl Z3235038825 [1,1,0,0,0,0|2,0,0]=4 445 B9R1.2 NNC1=NC(=CN=C1)Cl Z319443864 [1,1,0,0,0,0|2,0,0]=4 446 B9R1.6 CC(=O)C1=CN=CC=C1 Z104474436 [1,1,0,0,0,0|2,0,0]=4 447 B9R1.6 CC(=O)C1=NC=CC=C1 Z104474432 [1,1,0,0,0,0|2,0,0]=4 448 B9R1.6 CC(=O)C1=NC=CN=C1 Z513735920 [1,1,0,0,0,0|1,0,0]=3 449 B9R1.6 CC(C)C1=NC=CC=C1 Z1198148831 [1,1,0,0,0,0|2,0,0]=4 450 B9R1.6 CC(N)C1=CN=CC=C1 Z85921957 [1,1,0,0,0,0|2,0,0]=4 451 B9R1.6 CC(N)C1=NC=CC=C1 Z56347059 [1,1,0,0,0,0|2,0,0]=4 452 B9R1.6 CC(O)C1=CN=CC=C1 Z335245084 [1,1,0,0,0,0|2,0,0]=4 453 B9R1.6 CC(O)C1=NC=CC=C1 Z335244914 [1,1,0,0,0,0|2,0,0]=4 454 B9R1.6 CC(O)C1=NC=CN=C1 Z513751834 [1,1,0,0,0,0|1,0,0]=3 455 B9R1.6 CN(C)C1=CN=CC=C1 Z1201619922 [1,1,0,0,0,0|2,0,0]=4 456 B9R1.6 N=C(N)C1=NC=CN=C1 Z1741973428 [1,1,0,0,0,0|2,0,0]=4 457 B9R1.6 NC(=O)C1=NC=CN=C1 Z33546644 [1,1,0,0,0,0|2,0,0]=4 458 B9R1.6 NC(=S)C1=NC=CN=C1 Z234895463 [1,1,0,0,0,0|2,0,0]=4 459 B9R1.6 O=C(O)C1=NC=CN=C1 Z104476002 [1,1,0,0,0,0|2,0,0]=4 460 B9R1.8 CCCC1=NC=CC=C1 Z1255434741 [1,1,0,0,0,0|2,0,0]=4 461 B9R1.8 CCNC1=CN=CC=C1 Z334882416 [1,1,0,0,0,0|2,0,0]=4 462 B9R1.8 CNCC1=CN=CC=C1 Z56963341 [1,1,0,0,0,0|2,0,0]=4 463 B9R1.8 CNCC1=NC=CN=C1 Z385447136 [1,1,0,0,0,0|1,0,0]=3 464 B9R1.8 CSCC1=CN=CC=C1 Z599631354 [1,1,0,0,0,0|1,0,0]=3 465 B9R1.8 N#CCC1=NC=CN=C1 Z1098233793 [1,1,0,0,0,0|1,0,1]=4 466 B9R1.8 NCCC1=CN=CC=C1 Z241056524 [1,1,0,0,0,0|2,0,0]=4 467 B9R1.8 NCCC1=NC=CC=C1 Z104478200 [1,1,0,0,0,0|2,0,0]=4 468 B9R1.8 NCCC1=NC=CN=C1 Z1925930460 [1,1,0,0,0,0|1,0,0]=3 469 B9R1.8 OCCC1=CN=CC=C1 Z992949518 [1,1,0,0,0,0|2,0,0]=4 470 B9R1.8 OCCC1=NC=CC=C1 Z104473592 [1,1,0,0,0,0|2,0,0]=4 471 B9R1.8 OCCC1=NC=CN=C1 Z234895105 [1,1,0,0,0,0|1,0,0]=3 472 B9R1.3 CC1=C(C(=CC=C1)Br)C Z165205526 [1,1,0,0,0,0|2,0,0]=4 473 B9R1.3 CC1=C(C(=CC=C1)N)C Z104472546 [1,1,0,0,0,0|2,0,0]=4 474 B9R1.3 CC1=C(C(=CC=N1)Cl)Cl Z1198234260 [1,1,0,0,0,0|2,0,0]=4 475 B9R1.3 CC1=C(C(=CC=N1)N)Br Z1198314047 [1,1,0,0,0,0|2,0,0]=4 476 B9R1.3 CC1=C(C(=CC=N1)N)Cl Z1198221360 [1,1,0,0,0,0|2,0,0]=4 477 B9R1.3 CC1=C(C(=CC=N1)O)Cl Z1255417996 [1,1,0,0,0,0|2,0,0]=4 478 B9R1.3 CC1=C(C(=NC=C1)N)C Z3241253461 [1,1,0,0,0,0|2,0,0]=4 479 B9R1.3 CC1=C(C(=NC=N1)Cl)C Z800200816 [1,1,0,0,0,0|2,0,0]=4 480 B9R1.3 CC1=C(C(=NC=N1)N)C Z904980686 [1,1,0,0,0,0|2,0,0]=4 481 B9R1.3 CC1=C(C(=NC=N1)O)C Z1642061386 [1,1,0,0,0,0|2,0,0]=4 482 B9R1.3 CC1=C(C(=O)C=CN1)C Z1203830064 [1,1,0,0,0,0|1,0,1]=4 483 B9R1.3 CC1=C(C=CN=C1N)O Z3875516970 [1,1,0,0,0,0|2,0,0]=4 484 B9R1.3 CC1=NC=CC(=C1N)C Z1203578937 [1,1,0,0,0,0|2,0,0]=4 485 B9R1.69 CC1=C(C=C(C=C1)N)C Z104472552 [1,1,0,0,0,0|2,0,0]=4 486 B9R1.69 CC1=C(C=C(C=C1)O)C Z104477218 [1,1,0,0,0,0|2,0,0]=4 487 B9R1.69 CC1=C(C=C(C=N1)Br)N Z1198183234 [1,1,0,0,0,0|2,0,0]=4 488 B9R1.69 CC1=C(C=C(C=N1)Br)O Z1255428492 [1,1,0,0,0,0|1,1,0]=4 489 B9R1.69 CC1=C(C=C(C=N1)N)Br Z1198175716 [1,1,0,0,0,0|2,0,0]=4 490 B9R1.69 CC1=C(C=C(C=N1)O)Br Z1198234267 [1,1,0,0,0,0|2,0,0]=4 491 B9R1.69 CC1=C(C=CC(=N1)Cl)I Z1269206091 [1,1,0,0,0,0|2,0,0]=4 492 B9R1.69 CC1=C(C=CC(=N1)N)Br Z57376600 [1,1,0,0,0,0|2,0,0]=4 493 B9R1.69 CC1=C(C=CC(=N1)N)I Z57296056 [1,1,0,0,0,0|2,0,0]=4 494 B9R1.69 CC1=C(N=C(C=N1)Br)C Z1416194403 [1,1,0,0,0,0|0,0,0]=2 495 B9R1.69 CC1=C(N=C(C=N1)Cl)C Z1255462913 [1,1,0,0,0,0|0,0,0]=2 496 B9R1.69 CC1=C(N=C(C=N1)Cl)Cl Z1198342669 [1,1,0,0,0,0|1,0,0]=3 497 B9R1.69 CC1=C(N=C(C=N1)O)C Z1255400771 [1,1,0,0,0,0|0,0,0]=2 498 B9R1.69 CC1=C(N=C(N=C1)Cl)C Z1255505274 [1,1,0,0,0,0|2,0,0]=4 499 B9R1.69 CC1=C(N=C(N=N1)Cl)C Z1216825228 [1,1,0,0,0,0|1,0,0]=3 500 B9R1.69 CC1=C(N=C(N=N1)N)C Z1203162685 [1,1,0,0,0,0|1,0,0]=3 501 B9R1.69 CC1=C(N=C(N=N1)[O-])C Z1696871460 [1,1,0,0,0,0|1,0,0]=3 502 B9R1.69 CC1=C(N=CC(=C1)Br)Br Z1269220337 [1,1,0,0,0,0|2,0,0]=4 503 B9R1.69 CC1=C(N=CC(=C1)N)C Z1198174887 [1,1,0,0,0,0|1,0,0]=3 504 B9R1.69 CC1=C(N=NC(=C1)Br)C Z1813162615 [1,1,0,0,0,0|2,0,0]=4 505 B9R1.69 CC1=C(N=NC(=C1)Cl)C Z1013743394 [1,1,0,0,0,0|2,0,0]=4 506 B9R1.69 CC1=C(N=NC(=C1)N)C Z1013744332 [1,1,0,0,0,0|2,0,0]=4 507 B9R1.69 CC1=C(N=NC(=C1)O)C Z1258992450 [1,1,0,0,0,0|2,0,0]=4 508 B9R1.69 CC1=C(N=NC(=C1)S)C Z3003235829 [1,1,0,0,0,0|2,0,0]=4 509 B9R1.69 CC1=C(N=NC(=N1)Cl)Cl Z1255363674 [1,1,0,0,0,0|2,0,0]=4 510 B9R1.69 CC1=CC(=C(C=C1)C)C Z104476700 [1,1,0,0,0,0|2,0,0]=4 511 B9R1.69 CC1=CC(=C(N=C1)C)N Z3996549873 [1,1,0,0,0,0|2,0,0]=4 512 B9R1.69 CC1=CC(=C(N=C1)N)C Z1197891469 [1,1,0,0,0,0|2,0,0]=4 513 B9R1.69 CC1=NC(=C(C=C1)Br)S Z2739314860 [1,1,0,0,0,0|2,0,0]=4 514 B9R1.69 CC1=NC(=C(N=C1)C)Cl Z104479244 [1,1,0,0,0,0|1,0,0]=3 515 B9R1.69 CC1=NC(=C(N=C1)C)F Z2920901477 [1,1,0,0,0,0|1,0,0]=3 516 B9R1.69 CC1=NC(=C(N=C1)C)N Z1203578739 [1,1,0,0,0,0|1,0,0]=3 517 B9R1.69 CC1=NC(=C(N=C1)C)O Z1198723414 [1,1,0,0,0,0|0,1,0]=3 518 B9R1.69 CC1=NC(=C(N=C1)Cl)C Z1201619176 [1,1,0,0,0,0|1,0,0]=3 519 B9R1.14 CCC1=C(SC=C1)CN Z815289796 [0,1,0,0,1,0|2,0,0]=4 520 B9R1.14 CCN1C=CN=C1CN Z2235681432 [0,1,0,0,1,0|2,0,0]=4 521 B9R1.14 CCN1C=CN=C1CO Z425813718 [0,1,0,0,1,0|2,0,0]=4 522 B9R1.14 CCN1C=NN=C1SC Z99000263 [0,1,0,0,1,0|2,0,0]=4 523 B9R1.14 CCN1N=CN=C1CN Z995120222 [0,1,0,0,1,0|2,0,0]=4 524 B9R1.22 CCC1=C(NC(=N1)C)C Z4762770638 [0,1,0,0,1,0|1,0,1]=4 525 B9R1.22 CCC1=C(SC(=N1)N)C Z426041442 [0,1,0,0,1,0|2,0,0]=4 526 B9R1.22 CCC1=CC(=NN1C)N Z995041682 [0,1,0,0,1,0|2,0,0]=4 527 B9R1.22 CCC1=NC(=NN1C)N Z1198175663 [0,1,0,0,1,0|2,0,0]=4 528 B9R1.22 COC1=CC(=NN1C)C Z1416158332 [0,1,0,0,1,0|1,1,0]=4 529 B9R1.22 COC1=CC(=NN1C)N Z1741785970 [0,1,0,0,1,0|1,1,0]=4 530 B9R1.22 CSC1=C(N=C(S1)N)C Z317061820 [0,1,0,0,1,0|1,0,0]=3 531 B9R1.22 CSC1=CN(N=C1N)C Z4738646099 [0,1,0,0,1,0|2,0,0]=4 532 B9R1.22 CSC1=NC(=NN1C)N Z1201618228 [0,1,0,0,1,0|1,0,0]=3 533 B9R1.27 CCC1=C(C=NN1C)N Z3182040774 [0,1,0,0,1,0|2,0,0]=4 534 B9R1.27 CCC1=C(NC=C1C)C Z1203730732 [0,1,0,0,1,0|1,0,1]=4 535 B9R1.27 CCC1=C(NN=C1C)C Z134873440 [0,1,0,0,1,0|2,0,0]=4 536 B9R1.27 CNC1=C(C=NN1C)Br Z3214933391 [0,1,0,0,1,0|2,0,0]=4 537 B9R1.27 CNC1=C(ON=C1C)C Z1198183563 [0,1,0,0,1,0|2,0,0]=4 538 B9R1.33 CC1=C(N=CN1)CCN Z1682072469 [0,1,0,0,1,0|1,0,1]=4 539 B9R1.33 CC1=C(N=CO1)CCN Z4133751936 [0,1,0,0,1,0|2,0,0]=4 540 B9R1.33 CC1=C(SC=N1)CCCl Z945806150 [0,1,0,0,1,0|2,0,0]=4 541 B9R1.33 CC1=C(SC=N1)CCN Z945840330 [0,1,0,0,1,0|2,0,0]=4 542 B9R1.33 CC1=C(SC=N1)CCO Z104477768 [0,1,0,0,1,0|2,0,0]=4 543 B9R1.33 CC1=NC=CN1CCN Z271005730 [0,1,0,0,1,0|2,0,0]=4 544 B9R1.33 CC1=NC=CN1CCO Z425794744 [0,1,0,0,1,0|2,0,0]=4 545 B9R1.33 CC1=NC=CN1CCS Z820771758 [0,1,0,0,1,0|2,0,0]=4 546 B9R1.33 CC1=NNC=C1CCN Z4991178728 [0,1,0,0,1,0|2,0,0]=4 547 B9R1.33 CC1=NNN=C1CCN Z4526316913 [0,1,0,0,1,0|2,0,0]=4 548 B9R1.33 CN1C=CN=C1CCN Z2805865782 [0,1,0,0,1,0|2,0,0]=4 549 B9R1.33 CN1C=CN=C1CCO Z1183455332 [0,1,0,0,1,0|2,0,0]=4 550 B9R1.33 CN1N=CC=C1CCCl Z1824511155 [0,1,0,0,1,0|2,0,0]=4 551 B9R1.33 CN1N=CC=C1CCN Z1183446166 [0,1,0,0,1,0|2,0,0]=4 552 B9R1.33 CN1N=CC=C1CCO Z1183446153 [0,1,0,0,1,0|2,0,0]=4 553 B9R1.33 CN1N=CN=C1CCN Z1405445912 [0,1,0,0,1,0|2,0,0]=4 554 B9R1.33 CNCC1=C(C=CS1)C Z85956636 [0,1,0,0,1,0|2,0,0]=4 555 B9R1.33 CNCC1=C(N=CS1)C Z385446916 [0,1,0,0,1,0|2,0,0]=4 556 B9R1.33 CNCC1=C(OC=C1)C Z818732086 [0,1,0,0,1,0|2,0,0]=4 557 B9R1.33 CNCC1=CSN=C1C Z4996662980 [0,1,0,0,1,0|2,0,0]=4 558 B9R1.33 CNCC1=NC=CN1C Z94601315 [0,1,0,0,1,0|2,0,0]=4 559 B9R1.33 CNCC1=NC=NN1C Z995119858 [0,1,0,0,1,0|2,0,0]=4 560 B9R1.41 CC(=O)C1=C(C=CO1)C Z1386912896 [0,1,0,0,1,0|2,0,0]=4 561 B9R1.41 CC(=O)C1=C(C=CS1)C Z837063696 [0,1,0,0,1,0|2,0,0]=4 562 B9R1.41 CC(=O)C1=C(N=CS1)C Z381360946 [0,1,0,0,1,0|2,0,0]=4 563 B9R1.41 CC(=O)C1=CC=NN1C Z1183445308 [0,1,0,0,1,0|2,0,0]=4 564 B9R1.41 CC(=O)C1=CON=C1C Z1238571218 [0,1,0,0,1,0|2,0,0]=4 565 B9R1.41 CC(=O)C1=CSN=C1C Z1255439768 [0,1,0,0,1,0|2,0,0]=4 566 B9R1.41 CC(=O)C1=NC=CN1C Z277141058 [0,1,0,0,1,0|2,0,0]=4 567 B9R1.41 CC(=O)C1=NON=C1C Z1201620301 [0,1,0,0,1,0|2,0,0]=4 568 B9R1.41 CC(C)C1=NC=CN1C Z1198309810 [0,1,0,0,1,0|2,0,0]=4 569 B9R1.41 CC(N)C1=NC=CN1C Z2581825158 [0,1,0,0,1,0|2,0,0]=4 570 B9R1.41 CC(N)C1=NC=NN1C Z1824511251 [0,1,0,0,1,0|2,0,0]=4 571 B9R1.41 CC(O)C1=NC=CN1C Z1183454575 [0,1,0,0,1,0|2,0,0]=4 572 B9R1.41 CC(O)C1=NC=NN1C Z2043691446 [0,1,0,0,1,0|2,0,0]=4 573 B9R1.41 CC1=C(SC=C1)C(C)O Z837065414 [0,1,0,0,1,0|2,0,0]=4 574 B9R1.41 CC1=C(SC=N1)C(C)N Z414834562 [0,1,0,0,1,0|2,0,0]=4 575 B9R1.132 CCN1N=CC(=C1C)N Z2106599870 [0,1,0,0,1,0|2,0,0]=4 576 B11R1.13 CSCC1=C(C(=CC=C1)N)C Z732207424 [0,2,0,0,0,0|2,0,0]=4 577 B11R1.17 CC1=C(N=CC=C1)CCC#N Z1862003349 [0,2,0,0,0,0|2,0,0]=4 578 B11R1.17 CC1=C(N=CC=C1)CCCN Z1198262715 [0,2,0,0,0,0|2,0,0]=4 579 B11R1.17 CCCOC1=C(N=CC=N1)N Z1821324848 [0,2,0,0,0,0|1,1,0]=4 580 B11R1.17 CCSCC1=C(N=CC=C1)N Z991493204 [0,2,0,0,0,0|2,0,0]=4 581 B11R1.17 N#CCSC1=C(C=CC=N1)Br Z1224464525 [0,2,0,0,0,0|2,0,0]=4 582 B11R1.17 OCCSC1=C(C=CC=N1)F Z997724398 [0,2,0,0,0,0|2,0,0]=4 583 B11R1.41 CCOC1=C(C=CC=N1)CN Z240084032 [0,2,0,0,0,0|1,1,0]=4 584 B11R1.41 CCSC1=C(N=CC=N1)C#N Z995023798 [0,2,0,0,0,0|0,0,1]=3 585 B11R1.41 COC1=C(C=CC=N1)CCO Z1504674309 [0,2,0,0,0,0|1,1,0]=4 586 B11R1.81 CC1=CC(=C(N=C1)CCO)C Z1504687585 [0,2,0,0,0,0|2,0,0]=4 587 B11R1.81 CCOC1=C(N=C(C=C1)N)C Z2583036218 [0,2,0,0,0,0|1,1,0]=4 588 B11R1.81 COCC1=C(N=C(C=C1)N)C Z1262680326 [0,2,0,0,0,0|1,1,0]=4 589 B11R1.182 CSCC1=C(C=CC(=N1)N)Cl Z1033293752 [0,2,0,0,0,0|2,0,0]=4 590 B11R1.222 CCC(=O)C1=C(C=CC=N1)C Z852750672 [0,2,0,0,0,0|2,0,0]=4 591 B11R1.222 COC(=O)C1=C(C=CC=N1)C Z976637088 [0,2,0,0,0,0|1,1,0]=4 592 B11R1.222 COC(=O)C1=C(N=CC=N1)Br Z1269220649 [0,2,0,0,0,0|1,1,0]=4 593 B11R1.222 COC(=O)C1=C(N=CC=N1)Cl Z1198161446 [0,2,0,0,0,0|1,1,0]=4 594 B11R1.222 COC(=O)C1=C(N=CC=N1)F Z1255382576 [0,2,0,0,0,0|1,1,0]=4 595 B11R1.222 COC(=O)C1=C(N=CC=N1)N Z104509600 [0,2,0,0,0,0|1,1,0]=4 596 B11R1.37 CCC1=C(N=C(N=N1)Cl)CC Z1761595443 [0,2,0,0,0,0|2,0,0]=4 597 B11R1.37 CCC1=C(N=C(N=N1)N)CC Z1262632570 [0,2,0,0,0,0|2,0,0]=4 598 B11R1.37 COC1=C(C=C(C=C1)N)SC Z1551950318 [0,2,0,0,0,0|2,0,0]=4 599 B11R1.37 COC1=C(C=C(C=N1)Br)CO Z905191750 [0,2,0,0,0,0|1,1,0]=4 600 B11R1.37 COC1=C(C=C(C=N1)N)CO Z3675090866 [0,2,0,0,0,0|1,1,0]=4 601 B11R1.37 COC1=C(C=CC(=N1)C)CN Z803153228 [0,2,0,0,0,0|1,1,0]=4 602 B11R1.37 COC1=C(N=C(C=C1)C)CN Z3486438235 [0,2,0,0,0,0|1,1,0]=4 603 B11R1.37 COC1=C(N=CC(=C1)I)OC Z1269199963 [0,2,0,0,0,0|1,1,0]=4 604 B11R1.37 COC1=C(N=CC(=C1)N)OC Z1262665453 [0,2,0,0,0,0|1,1,0]=4 605 B11R1.37 CSC1=C(C=C(C=C1)F)CN Z1147179311 [0,2,0,0,0,0|2,0,0]=4 606 B11R1.37 CSC1=C(C=CC(=C1)C)CN Z972656244 [0,2,0,0,0,0|2,0,0]=4 607 B11R1.53 CC(C)C1=C(N=CC=C1)CN Z4927326966 [0,2,0,0,0,0|2,0,0]=4 608 B11R1.53 CCC1=C(N=CC=N1)C(=O)O Z1551935457 [0,2,0,0,0,0|1,0,1]=4 609 B11R1.53 CNC1=C(N=CC=C1)N(C)C Z1082871914 [0,2,0,0,0,0|2,0,0]=4 610 B11R1.53 COC1=C(N=CC=N1)C(=N)N Z3810710763 [0,2,0,0,0,0|0,1,1]=4 611 B11R1.53 CSC1=C(C=CC=C1)C(=O)C Z732207820 [0,2,0,0,0,0|2,0,0]=4 612 B11R1.53 CSC1=C(C=CC=C1)C(C)O Z1157829809 [0,2,0,0,0,0|2,0,0]=4 613 B11R1.53 CSC1=C(C=CC=C1)[C@@H](C)N Z1993522688 [0,2,0,0,0,0|2,0,0]=4 614 B11R1.53 CSC1=C(C=CC=N1)C(=O)O Z104479350 [0,2,0,0,0,0|1,0,1]=4 615 B11R1.53 CSC1=C(N=CC=C1)C(=O)O Z1262521288 [0,2,0,0,0,0|1,0,1]=4 616 B11R1.53 CSC1=C(N=CC=N1)C(=O)O Z995154340 [0,2,0,0,0,0|0,0,1]=3 617 B11R1.166 CC(=O)C1=C(C=C(C=N1)Br)C Z1269198120 [0,2,0,0,0,0|2,0,0]=4 618 B11R1.166 CC(=O)C1=C(N=C(C=C1)C)C Z316174650 [0,2,0,0,0,0|2,0,0]=4 619 B11R1.166 CC1=C(N=CC(=N1)N)C(=O)O Z4575738619 [0,2,0,0,0,0|2,0,0]=4 620 B11R1.277 CC1=NC(=C(N=C1C=O)C)C Z1201628611 [0,2,0,0,0,0|2,0,0]=4 621 B11R1.279 C#CC1=CC(=C(N=C1)OC)C Z1416177866 [0,2,0,0,0,0|1,1,0]=4 622 B11R1.279 COC1=C(C=C(C=N1)C=O)C Z1255428321 [0,2,0,0,0,0|1,1,0]=4 623 B11R1.279 COC1=C(N=C(C=C1)C=O)C Z1255392726 [0,2,0,0,0,0|1,1,0]=4 624 B11R1.279 COC1=C(N=C(C=C1)CN)C Z5159661244 [0,2,0,0,0,0|1,1,0]=4 625 B11R1.279 COC1=C(N=C(C=C1)CO)C Z1504670506 [0,2,0,0,0,0|1,1,0]=4 626 B11R1.279 CSC1=C(C=C(C=C1)CN)C Z732208378 [0,2,0,0,0,0|2,0,0]=4 627 B11R1.167 CC(=O)C1=C(C=CC(=N1)Br)C Z3481420345 [0,2,0,0,0,0|2,0,0]=4 628 B11R1.280 COC1=C(C=CC(=N1)C=O)C Z1198311272 [0,2,0,0,0,0|1,1,0]=4 629 B11R1.280 COC1=C(N=CC(=C1)C#N)C Z1255445535 [0,2,0,0,0,0|1,1,0]=4 630 B11R1.280 COC1=C(N=CC(=C1)C=O)C Z1255504574 [0,2,0,0,0,0|1,1,0]=4 631 B11R1.280 COC1=NC(=C(N=C1)Br)OC Z1813180361 [0,2,0,0,0,0|1,1,0]=4 632 B11R1.87 CC1=C(N=CC=N1)S(=O)(=O)F Z2755013650 [0,2,0,0,0,0|1,0,1]=4 633 B11R1.87 CS(=O)(=O)C1=C(N=CC=N1)Cl Z1255374577 [0,2,0,0,0,0|1,0,1]=4 634 B9R2.3 C1=CN2CCCC2=N1 Z1255492142 [0,0,0,1,1,0|2,0,0]=4 635 B9R2.3 C1=NN2CCNC2=C1 Z1203731545 [0,0,0,1,1,0|2,0,0]=4 636 B11R2.106 CC1=C2CCNC2=NC=C1 Z1203731311 [0,1,0,1,0,0|2,0,0]=4 637 B11R2.106 IC1=C2CCOC2=NC=C1 Z3247248061 [0,1,0,1,0,0|1,1,0]=4 638 B11R2.106 NC1=C2CCOC2=NC=C1 Z1862023680 [0,1,0,1,0,0|1,1,0]=4 639 B11R2.10 NC1CC2=C(C1)N=CC=C2 Z3069017080 [0,1,0,1,0,0|2,0,0]=4 640 B11R2.10 NC1CC2=C(C1)N=CC=N2 Z4953585301 [0,1,0,1,0,0|1,0,0]=3 641 B11R2.10 SC1=NC2=C(S1)N=CC=N2 Z3244839846 [0,1,0,1,0,0|1,0,1]=4 642 B11R2.20 C1=CC2=C(C=C1)SCCN2 Z56943460 [0,1,0,1,0,0|2,0,0]=4 643 B11R2.20 C1=CC2=C(CCCC2)N=C1 Z1201617100 [0,1,0,1,0,0|2,0,0]=4 644 B11R2.20 C1=CC2=C(CCCN2)N=C1 Z212053854 [0,1,0,1,0,0|2,0,0]=4 645 B11R2.20 C1=CC2=C(CCNC2)N=C1 Z2142036515 [0,1,0,1,0,0|2,0,0]=4 646 B11R2.20 C1=CC2=C(CCSC2)N=C1 Z3492694447 [0,1,0,1,0,0|1,0,0]=3 647 B11R2.20 C1=CC2=C(N=C1)NCCC2 Z1198176448 [0,1,0,1,0,0|2,0,0]=4 648 B11R2.20 C1=CC2=C(N=C1)NCCN2 Z1198175971 [0,1,0,1,0,0|2,0,0]=4 649 B11R2.20 C1=CC2=C(N=C1)OCCN2 Z1201624799 [0,1,0,1,0,0|1,1,0]=4 650 B11R2.20 C1=NC2=C(CNCC2)N=C1 Z5626910804 [0,1,0,1,0,0|1,0,0]=3 651 B11R2.55 NC1=C(N=CC=N1)C2CC2 Z1203653375 [0,1,0,1,0,0|2,0,0]=4 652 B11R2.1 CC1=NSC2=C1C=CC=N2 Z1198182022 [0,1,0,1,0,0|2,0,0]=4 653 B11R2.1 CC1CNC2=C1N=CC=C2 Z3464420345 [0,1,0,1,0,0|2,0,0]=4 654 B11R2.1 NC1CSC2=C1C=CC=C2 Z431544668 [0,1,0,1,0,0|2,0,0]=4 655 B11R2.1 O[C@@H]1CSC2=C1C=CC=C2 Z1438326029 [0,1,0,1,0,0|2,0,0]=4 656 B11R2.36 BrC1=CC2=C(CCC2)N=C1 Z1198182024 [0,1,0,1,0,0|2,0,0]=4 657 B11R2.36 BrC1=CC2=C(N=C1)NCC2 Z1198169618 [0,1,0,1,0,0|2,0,0]=4 658 B11R2.36 BrC1=CC2=C(N=C1)OCC2 Z1269230252 [0,1,0,1,0,0|1,1,0]=4 659 B11R2.36 FC1=CC2=C(CCN2)N=C1 Z5452930143 [0,1,0,1,0,0|2,0,0]=4 660 B11R2.36 FC1=CC2=C(N=C1)NCC2 Z2757597421 [0,1,0,1,0,0|2,0,0]=4 661 B11R2.36 FC1=CC2=C(N=C1)OCC2 Z2732449946 [0,1,0,1,0,0|1,1,0]=4 662 B11R2.36 NC1=CC2=C(C=C1)CCS2 Z1198181342 [0,1,0,1,0,0|2,0,0]=4 663 B11R2.36 NC1=NC2=C(C=C1)CCC2 Z1198183883 [0,1,0,1,0,0|2,0,0]=4 664 B11R2.36 NC1=NC2=C(C=C1)OCC2 Z1203582734 [0,1,0,1,0,0|1,1,0]=4 665 B11R2.36 OC1=CC2=C(CCC2)N=C1 Z1255498919 [0,1,0,1,0,0|2,0,0]=4 666 B11R2.36 OC1=CC2=C(N=C1)NCC2 Z2310677431 [0,1,0,1,0,0|2,0,0]=4 667 B11R2.36 OC1=NC2=C(C=C1)CCN2 Z5351512817 [0,1,0,1,0,0|2,0,0]=4 668 B7R1.1 CCC1=CC=CO1 Z640169748 [1,0,0,0,1,0|2,0,0]=4 669 B7R1.1 CCC1=CNC=N1 Z1203731354 [1,0,0,0,1,0|1,0,1]=4 670 B7R1.1 CCC1=CNN=C1 Z1139192482 [1,0,0,0,1,0|2,0,0]=4 671 B7R1.1 CCC1=NC=CN1 Z803154382 [1,0,0,0,1,0|1,0,1]=4 672 B7R1.1 CCC1=NNC=C1 Z1238571110 [1,0,0,0,1,0|2,0,0]=4 673 B7R1.1 CCN1C=CC=N1 Z600618624 [1,0,0,0,1,0|2,0,0]=4 674 B7R1.1 CCN1C=CN=C1 Z286789018 [1,0,0,0,1,0|2,0,0]=4 675 B7R1.1 CNC1=CNN=C1 Z1313483441 [1,0,0,0,1,0|2,0,0]=4 676 B7R1.1 CNC1=NC=CS1 Z336483296 [1,0,0,0,1,0|2,0,0]=4 677 B7R1.1 CNC1=NOC=C1 Z2489381644 [1,0,0,0,1,0|2,0,0]=4 678 B7R1.1 COC1=CNN=C1 Z2525138345 [1,0,0,0,1,0|1,1,0]=4 679 B7R1.1 COC1=NNC=C1 Z2130657375 [1,0,0,0,1,0|1,1,0]=4 680 B7R1.1 COC1=NSC=C1 Z1198333966 [1,0,0,0,1,0|1,1,0]=4 681 B7R1.1 CSC1=NC=CN1 Z1203730949 [1,0,0,0,1,0|0,0,1]=3 682 B7R1.1 CSC1=NN=NN1 Z821307136 [1,0,0,0,1,0|2,0,0]=4 683 B7R1.4 CC1=C(C=CS1)Br Z1201624904 [1,0,0,0,1,0|2,0,0]=4 684 B7R1.4 CC1=C(SC=N1)N Z1815155510 [1,0,0,0,1,0|2,0,0]=4 685 B7R1.4 CC1=CC=NN1C Z826535916 [1,0,0,0,1,0|1,0,0]=3 686 B7R1.4 CC1=CNC=C1C Z1198162792 [1,0,0,0,1,0|2,0,0]=4 687 B7R1.4 CC1=CON=C1N Z995041844 [1,0,0,0,1,0|2,0,0]=4 688 B7R1.4 CC1=NN=CN1C Z422646574 [1,0,0,0,1,0|2,0,0]=4 689 B7R1.4 CC1=NNC=C1N Z600615694 [1,0,0,0,1,0|2,0,0]=4 690 B7R1.4 CC1=NOC=C1N Z2466617876 [1,0,0,0,1,0|2,0,0]=4 691 B7R1.4 CC1=NON=C1N Z57948408 [1,0,0,0,1,0|2,0,0]=4 692 B7R1.4 CC1=NSC=C1N Z2737427927 [1,0,0,0,1,0|2,0,0]=4 693 B7R1.4 CN1C=CN=C1Br Z959380970 [1,0,0,0,1,0|2,0,0]=4 694 B7R1.4 CN1C=CN=C1N Z2309759326 [1,0,0,0,1,0|2,0,0]=4 695 B7R1.4 CN1C=CN=C1S Z57901905 [1,0,0,0,1,0|1,0,0]=3 696 B7R1.4 CN1C=NN=C1S Z56922095 [1,0,0,0,1,0|2,0,0]=4 697 B7R1.4 CN1N=CC=C1N Z415654476 [1,0,0,0,1,0|2,0,0]=4 698 B7R1.4 CN1N=CN=C1N Z56757681 [1,0,0,0,1,0|2,0,0]=4 699 B7R1.4 CN1N=CN=C1S Z1655141058 [1,0,0,0,1,0|1,0,0]=3