0 B11R1.86 CC(=O)CC1=C(C=CC=C1)C Z329711570 [0,0,0,0,0,0|3,0,1]=4 1 B11R1.86 CC(C)CC1=C(C=CC=C1)N Z1171158156 [0,0,0,0,0,0|3,0,0]=3 2 B11R1.86 CC(C)NC1=C(C=CC=C1)Br Z334939134 [0,0,0,0,0,0|4,0,0]=4 3 B11R1.86 CC(C)NC1=C(C=CC=C1)I Z362774390 [0,0,0,0,0,0|4,0,0]=4 4 B11R1.86 CC(C)OC1=C(C=CC=C1)Br Z54690481 [0,0,0,0,0,0|4,0,0]=4 5 B11R1.86 CC(C)OC1=C(C=CC=C1)Cl Z53833775 [0,0,0,0,0,0|4,0,0]=4 6 B11R1.86 CC(C)OC1=C(C=CC=C1)N Z239604736 [0,0,0,0,0,0|4,0,0]=4 7 B11R1.86 CC(C)OC1=C(C=CC=N1)O Z1255389451 [0,0,0,0,0,0|3,0,0]=3 8 B11R1.86 CC(C)OC1=C(N=CC=C1)N Z1809367930 [0,0,0,0,0,0|3,0,0]=3 9 B11R1.86 CC(C)SC1=C(C=CC=C1)N Z316174692 [0,0,0,0,0,0|4,0,0]=4 10 B11R1.86 CC(N)CC1=C(C=CC=C1)Br Z1416200939 [0,0,0,0,0,0|4,0,0]=4 11 B11R1.86 CC(N)CC1=C(C=CC=C1)Cl Z415728108 [0,0,0,0,0,0|4,0,0]=4 12 B11R1.86 CC1=C(C=CC=C1)CC(C)N Z594038086 [0,0,0,0,0,0|3,0,0]=3 13 B11R1.86 CC1=C(C=CC=C1)NC(C)C Z267168760 [0,0,0,0,0,0|3,0,0]=3 14 B11R1.86 CC1=C(C=CC=N1)CC(=O)O Z2050687800 [0,0,0,0,0,0|3,0,1]=4 15 B11R1.86 CC1=C(C=CN=C1)CC(C)N Z4926043046 [0,0,0,0,0,0|4,0,0]=4 16 B11R1.86 CN(C)CC1=C(C=CC=C1)Cl Z54750062 [0,0,0,0,0,0|4,0,0]=4 17 B11R1.86 CN(C)CC1=C(C=CC=C1)N Z285162890 [0,0,0,0,0,0|4,0,0]=4 18 B11R1.86 CN(C)CC1=C(C=CC=N1)O Z56957565 [0,0,0,0,0,0|3,0,0]=3 19 B11R1.86 O=C(O)CC1=C(N=CC=N1)Cl Z1255421013 [0,0,0,0,0,0|3,0,1]=4 20 B10R1.4 CC1=C(C=CC=N1)CC#N Z1198263560 [1,0,0,0,0,0|2,0,1]=4 21 B10R1.4 CC1=C(N=CC=C1)CCN Z1098234132 [1,0,0,0,0,0|2,0,0]=3 22 B10R1.4 CC1=C(N=CC=C1)CCO Z1198169041 [1,0,0,0,0,0|2,0,0]=3 23 B10R1.4 CC1=C(N=CC=N1)CCO Z1198163945 [1,0,0,0,0,0|1,0,0]=2 24 B10R1.4 CCCC1=C(C=CC=C1)Br Z1479686725 [1,0,0,0,0,0|3,0,0]=4 25 B10R1.4 CCCC1=C(C=CC=C1)I Z821158622 [1,0,0,0,0,0|3,0,0]=4 26 B10R1.4 CCCC1=C(C=CC=C1)N Z336087926 [1,0,0,0,0,0|3,0,0]=4 27 B10R1.4 CCCC1=C(N=CC=N1)Cl Z1504680268 [1,0,0,0,0,0|1,0,0]=2 28 B10R1.4 CCNC1=C(C=CC=C1)C Z104477886 [1,0,0,0,0,0|3,0,0]=4 29 B10R1.4 CCNC1=C(C=CC=N1)C Z968907586 [1,0,0,0,0,0|2,0,0]=3 30 B10R1.4 CCNC1=C(C=CC=N1)N Z803145254 [1,0,0,0,0,0|3,0,0]=4 31 B10R1.4 CCOC1=C(C=CC=N1)N Z240084312 [1,0,0,0,0,0|3,0,0]=4 32 B10R1.4 CCOC1=C(N=CC=C1)N Z362783900 [1,0,0,0,0,0|3,0,0]=4 33 B10R1.4 CNCC1=C(C=CC=C1)C Z56948272 [1,0,0,0,0,0|3,0,0]=4 34 B10R1.4 CNCC1=C(C=CC=N1)Cl Z5392638231 [1,0,0,0,0,0|3,0,0]=4 35 B10R1.4 COCC1=C(N=CC=C1)N Z991490684 [1,0,0,0,0,0|3,0,0]=4 36 B10R1.4 N#CCC1=C(N=CC=N1)Cl Z1255498354 [1,0,0,0,0,0|2,0,1]=4 37 B10R1.4 NCCC1=C(N=CC=C1)O Z5862214540 [1,0,0,0,0,0|3,0,0]=4 38 B10R1.18 CC(=O)CC1=NC=CN=C1 Z1098219337 [1,0,0,0,0,0|1,0,1]=3 39 B10R1.18 CC(C)CC1=CC=CC=C1 Z104486386 [1,0,0,0,0,0|2,0,0]=3 40 B10R1.18 CC(C)CC1=NC=CC=C1 Z1201621742 [1,0,0,0,0,0|1,0,0]=2 41 B10R1.18 CC(C)NC1=CC=CC=C1 Z104475020 [1,0,0,0,0,0|3,0,0]=4 42 B10R1.18 CC(C)NC1=CN=CC=C1 Z334882282 [1,0,0,0,0,0|2,0,0]=3 43 B10R1.18 CC(C)NC1=NC=CC=N1 Z31190928 [1,0,0,0,0,0|3,0,0]=4 44 B10R1.18 CC(C)OC1=CC=CC=C1 Z53833867 [1,0,0,0,0,0|3,0,0]=4 45 B10R1.18 CC(O)CC1=CC=CC=C1 Z513749298 [1,0,0,0,0,0|3,0,0]=4 46 B10R1.18 CC(O)CC1=NC=CC=C1 Z513750714 [1,0,0,0,0,0|2,0,0]=3 47 B10R1.18 CN(C)CC1=CN=CC=C1 Z140563088 [1,0,0,0,0,0|2,0,0]=3 48 B10R1.18 CN(C)CC1=NC=CC=C1 Z4614651190 [1,0,0,0,0,0|2,0,0]=3 49 B12R1.75 CC(C)CC1=C(C=CC=C1)C=O Z1171158400 [0,1,0,0,0,0|2,0,1]=4 50 B12R1.75 CC(C)NC1=C(C=CC=N1)C#N Z31191155 [0,1,0,0,0,0|2,0,1]=4 51 B12R1.75 CC(C)OC1=C(C=CC=N1)C#N Z295203628 [0,1,0,0,0,0|2,0,1]=4 52 B12R1.75 CN(C)CC1=C(C=CC=C1)CN Z94601181 [0,1,0,0,0,0|3,0,0]=4 53 B12R1.75 CN(C)CC1=C(C=CC=C1)CO Z336081038 [0,1,0,0,0,0|3,0,0]=4 54 B12R1.75 COC1=C(C=CC=C1)CC(C)O Z445987128 [0,1,0,0,0,0|3,0,0]=4 55 B12R1.75 COC1=C(C=CC=C1)NC(C)C Z267171966 [0,1,0,0,0,0|3,0,0]=4 56 B12R1.75 CSC1=C(C=CC=C1)CC(C)N Z3067374118 [0,1,0,0,0,0|3,0,0]=4 57 B12R1.124 CC(C)C(=O)C1=C(N=CC=C1)Br Z2182026560 [0,1,0,0,0,0|2,0,1]=4 58 B12R1.124 CC(C)C(N)C1=C(C=CC=C1)Cl Z733415566 [0,1,0,0,0,0|3,0,0]=4 59 B12R1.124 CC(C)C(N)C1=C(C=CC=C1)N Z1198748043 [0,1,0,0,0,0|3,0,0]=4 60 B12R1.124 CC1=C(C=CC=C1)C(=O)C(C)C Z513734868 [0,1,0,0,0,0|2,0,1]=4 61 B12R1.124 CC1=C(C=CC=C1)C(N)C(C)C Z513797128 [0,1,0,0,0,0|2,0,0]=3 62 B12R1.124 CC1=C(N=CC=C1)C(N)C(C)C Z852750962 [0,1,0,0,0,0|1,0,0]=2 63 B12R1.127 CC1=C(C=C(C=C1)N)OC(C)C Z1895741280 [0,1,0,0,0,0|3,0,0]=4 64 B12R1.127 CC1=CC(=C(C=C1)C)NC(C)C Z267155660 [0,1,0,0,0,0|3,0,0]=4 65 B12R1.127 CN(C)CC1=C(C=CC(=N1)N)Cl Z1033287112 [0,1,0,0,0,0|3,0,0]=4 66 B12R1.151 CC(C)(O)CC1=C(C=CC=C1)Br Z513707712 [0,1,0,0,0,0|3,0,0]=4 67 B12R1.151 CC(C)(O)CC1=C(C=CC=C1)Cl Z513707752 [0,1,0,0,0,0|3,0,0]=4 68 B12R1.151 CC1=C(C=CC=C1)CC(C)(C)N Z1263602397 [0,1,0,0,0,0|2,0,0]=3 69 B12R1.224 CC(C)CC1=C(C(=NC=N1)Cl)I Z1404718475 [0,1,0,0,0,0|3,0,0]=4 70 B12R1.224 CC(C)CC1=C(C(=O)NC=N1)I Z1404716919 [0,1,0,0,0,0|3,0,0]=4 71 B12R1.224 CC1=CC=NC(=C1N)NC(C)C Z1209417787 [0,1,0,0,0,0|3,0,0]=4 72 B12R1.233 CC(C)CC1=C(C=C(C=C1)O)O Z1513805538 [0,1,0,0,0,0|3,0,0]=4 73 B12R1.233 CC(C)OC1=C(C=C(C=N1)Cl)N Z1470150308 [0,1,0,0,0,0|3,0,0]=4 74 B12R1.233 CC1=C(C=CC(=C1)N)OC(C)C Z385462788 [0,1,0,0,0,0|3,0,0]=4 75 B12R1.233 CC1=CC(=C(C=C1)CC(C)N)C Z285143886 [0,1,0,0,0,0|3,0,0]=4 76 B12R1.233 CC1=CC(=C(C=C1)NC(C)C)C Z1259341051 [0,1,0,0,0,0|3,0,0]=4 77 B12R1.233 CC1=CC(=C(N=C1)OC(C)C)N Z1262673178 [0,1,0,0,0,0|3,0,0]=4 78 B12R1.371 CC(CO)NC1=C(C=CC=N1)I Z1340720992 [0,1,0,0,0,0|3,0,0]=4 79 B12R1.371 CC1=C(C=CC=C1)CC(N)CO Z1198274419 [0,1,0,0,0,0|3,0,0]=4 80 B12R1.371 CC1=C(C=CC=C1)OC(C)CN Z844631964 [0,1,0,0,0,0|3,0,0]=4 81 B12R1.371 CNC(C)CC1=C(C=CC=C1)C Z1875110273 [0,1,0,0,0,0|2,0,0]=3 82 B12R2.24 CC1CC2=C(C=CC=C2)CN1 Z979717380 [0,0,0,1,0,0|3,0,0]=4 83 B12R2.24 CC1CCC2=C(C1)N=CC=C2 Z2050228155 [0,0,0,1,0,0|1,0,0]=2 84 B12R2.24 CC1CCC2=C(N1)C=CC=N2 Z4269599049 [0,0,0,1,0,0|2,0,0]=3 85 B12R2.24 CC1CNC2=C(C1)C=CC=C2 Z1118526687 [0,0,0,1,0,0|3,0,0]=4 86 B12R2.24 CC1CNC2=C(O1)C=CC=N2 Z1255468652 [0,0,0,1,0,0|3,0,0]=4 87 B12R2.24 CC1CNC2=C(O1)N=CC=C2 Z1495332399 [0,0,0,1,0,0|3,0,0]=4 88 B12R2.24 C[C@@H]1CC2=C(C=CC=C2)CN1 Z1203733478 [0,0,0,1,0,0|3,0,0]=4 89 B12R2.24 NC1CCC2=C(C1)C=CC=C2 Z992716772 [0,0,0,1,0,0|3,0,0]=4 90 B12R2.24 NC1CCC2=C(C1)C=CC=N2 Z1270312108 [0,0,0,1,0,0|2,0,0]=3 91 B12R2.24 NC1COC2=C(C1)C=CC=N2 Z4410234846 [0,0,0,1,0,0|3,0,0]=4 92 B12R2.24 OC1CCC2=C(C1)C=CC=C2 Z445987178 [0,0,0,1,0,0|3,0,0]=4 93 B12R2.115 CC1=C(C=CC=C1)[C@@H]2C[C@H]2N Z2286637165 [0,0,0,1,0,0|3,0,0]=4 94 B12R2.225 NC1=C(N=CC=C1)NC2CC2 Z359511288 [0,0,0,1,0,0|3,0,0]=4 95 B10R1.61 CC(=O)C1=C(N=CC=N1)Cl Z1198277886 [0,0,0,0,1,0|2,0,1]=4 96 B10R1.61 CC(C)C1=C(C=CC=C1)Br Z1201618204 [0,0,0,0,1,0|3,0,0]=4 97 B10R1.61 CC(C)C1=C(C=CC=C1)N Z104475672 [0,0,0,0,1,0|3,0,0]=4 98 B10R1.61 CC(C)C1=C(C=CC=C1)O Z104485440 [0,0,0,0,1,0|3,0,0]=4 99 B10R1.61 CC(C)C1=C(C=CC=N1)N Z1416177001 [0,0,0,0,1,0|2,0,0]=3 100 B10R1.61 CC(C)C1=C(C=NC=N1)N Z3303296144 [0,0,0,0,1,0|3,0,0]=4 101 B10R1.61 CC(C)C1=C(C=NC=N1)O Z1618037650 [0,0,0,0,1,0|3,0,0]=4 102 B10R1.61 CC(C)C1=C(N=CC=C1)N Z1192017957 [0,0,0,0,1,0|2,0,0]=3 103 B10R1.61 CC(C)C1=C(N=CC=N1)Cl Z1255497724 [0,0,0,0,1,0|1,0,0]=2 104 B10R1.61 CC(C)C1=C(N=CN=C1)N Z1203583456 [0,0,0,0,1,0|3,0,0]=4 105 B10R1.61 CC(C)C1=NC=CNC1=O Z1203732938 [0,0,0,0,1,0|1,0,1]=3 106 B10R1.61 CC(N)C1=C(C=CC=N1)Br Z3925841137 [0,0,0,0,1,0|3,0,0]=4 107 B10R1.61 CC(N)C1=C(C=CC=N1)F Z2284396256 [0,0,0,0,1,0|3,0,0]=4 108 B10R1.61 CC1=C(C=CC=C1)C(C)O Z335245068 [0,0,0,0,1,0|3,0,0]=4 109 B10R1.61 CC1=C(C=CC=C1)[C@@H](C)O Z360055768 [0,0,0,0,1,0|3,0,0]=4 110 B10R1.61 CC1=C(C=CC=N1)C(C)N Z4511547602 [0,0,0,0,1,0|2,0,0]=3 111 B10R1.61 CC1=C(C=CC=N1)C(C)O Z1766930129 [0,0,0,0,1,0|2,0,0]=3 112 B10R1.61 CC1=C(N=CC=N1)C(=O)O Z1205494130 [0,0,0,0,1,0|2,0,1]=4 113 B10R1.61 CN(C)C1=C(N=CC=C1)N Z1203587145 [0,0,0,0,1,0|3,0,0]=4 114 B10R1.61 C[C@H](N)C1=C(C=CC=N1)F Z1924739255 [0,0,0,0,1,0|3,0,0]=4 115 B10R1.61 FC(F)C1=C(N=CC=N1)Cl Z1813160247 [0,0,0,0,1,0|3,0,0]=4 116 B10R1.64 CC(C)CN1N=CC=C1N Z85923420 [0,0,0,0,1,0|2,0,0]=3 117 B10R1.64 CC(C)NC1=NC=CN1C Z959381410 [0,0,0,0,1,0|2,0,0]=3 118 B10R1.64 CC(N)CC1=NN=CN1C Z5090447814 [0,0,0,0,1,0|3,0,0]=4 119 B10R1.64 CC1=NC=CN1CC(C)O Z600458168 [0,0,0,0,1,0|2,0,0]=3 120 B12R1.125 CC(C)CNC1=C(C=CC=C1)Cl Z334941038 [0,0,0,0,0,1|3,0,0]=4 121 B12R1.125 CC(C)COC1=C(C=CC=C1)N Z239604732 [0,0,0,0,0,1|3,0,0]=4 122 B12R1.125 CC(C)NCC1=C(C=CC=C1)F Z86129898 [0,0,0,0,0,1|3,0,0]=4 123 B12R1.125 CC(C)OCC1=C(C=CC=C1)N Z285178240 [0,0,0,0,0,1|3,0,0]=4 124 B12R1.125 CC(O)CNC1=C(C=CC=N1)I Z1252330072 [0,0,0,0,0,1|3,0,0]=4 125 B12R1.125 CC1=C(C=CC=C1)OCC(C)N Z271016914 [0,0,0,0,0,1|3,0,0]=4 126 B12R1.125 C[C@@H](O)CNC1=C(C=CC=N1)F Z1564027911 [0,0,0,0,0,1|3,0,0]=4 127 B9R1.8 CCCC1=CC=CC=C1 Z104479154 [2,0,0,0,0,0|2,0,0]=4 128 B9R1.8 CCCC1=NC=CC=C1 Z1255434741 [2,0,0,0,0,0|1,0,0]=3 129 B9R1.8 CCCC1=NN=CC=C1 Z1486025396 [2,0,0,0,0,0|2,0,0]=4 130 B9R1.8 CCNC1=CN=CC=C1 Z334882416 [2,0,0,0,0,0|2,0,0]=4 131 B9R1.8 CNCC1=CN=CC=C1 Z56963341 [2,0,0,0,0,0|2,0,0]=4 132 B9R1.8 CNCC1=NC=CN=C1 Z385447136 [2,0,0,0,0,0|1,0,0]=3 133 B9R1.8 CSCC1=CN=CC=C1 Z599631354 [2,0,0,0,0,0|2,0,0]=4 134 B9R1.8 N#CCC1=NC=CN=C1 Z1098233793 [2,0,0,0,0,0|1,0,1]=4 135 B9R1.8 NCCC1=CN=CC=C1 Z241056524 [2,0,0,0,0,0|2,0,0]=4 136 B9R1.8 NCCC1=NC=CC=C1 Z104478200 [2,0,0,0,0,0|2,0,0]=4 137 B9R1.8 NCCC1=NC=CN=C1 Z1925930460 [2,0,0,0,0,0|1,0,0]=3 138 B9R1.8 OCCC1=CN=CC=C1 Z992949518 [2,0,0,0,0,0|2,0,0]=4 139 B9R1.8 OCCC1=NC=CC=C1 Z104473592 [2,0,0,0,0,0|2,0,0]=4 140 B9R1.8 OCCC1=NC=CN=C1 Z234895105 [2,0,0,0,0,0|1,0,0]=3 141 B9R1.15 CC1=C(N=CC=C1)CO Z976637084 [2,0,0,0,0,0|2,0,0]=4 142 B9R1.15 CC1=C(N=CC=N1)C#N Z1198181979 [2,0,0,0,0,0|1,0,1]=4 143 B9R1.15 CC1=C(N=CC=N1)C=O Z1198233269 [2,0,0,0,0,0|1,0,1]=4 144 B9R1.15 CC1=C(N=CC=N1)CN Z3671696702 [2,0,0,0,0,0|1,0,0]=3 145 B9R1.15 CCC1=C(N=CC=C1)N Z1192017773 [2,0,0,0,0,0|2,0,0]=4 146 B9R1.15 CCC1=C(N=CC=C1)O Z1198266674 [2,0,0,0,0,0|2,0,0]=4 147 B9R1.15 CCC1=C(N=CC=N1)Cl Z1198149374 [2,0,0,0,0,0|1,0,0]=3 148 B9R1.15 CCC1=C(N=CC=N1)N Z1203580180 [2,0,0,0,0,0|1,0,0]=3 149 B9R1.15 CCC1=NC=CNC1=O Z3274889193 [2,0,0,0,0,0|1,0,1]=4 150 B9R1.15 CCC1=NNC=NC1=O Z1201628993 [2,0,0,0,0,0|2,0,0]=4 151 B9R1.15 CNC1=C(C=CC=N1)C Z968907582 [2,0,0,0,0,0|2,0,0]=4 152 B9R1.15 CNC1=C(N=CC=C1)C Z1295808975 [2,0,0,0,0,0|2,0,0]=4 153 B9R1.15 CNC1=C(N=CC=N1)C Z2768516750 [2,0,0,0,0,0|1,0,0]=3 154 B9R1.15 COC1=C(N=CC=C1)C Z1198150814 [2,0,0,0,0,0|2,0,0]=4 155 B9R1.15 COC1=C(N=CC=N1)N Z1198166025 [2,0,0,0,0,0|2,0,0]=4 156 B9R1.15 ClCC1=C(N=CC=N1)Cl Z934373154 [2,0,0,0,0,0|2,0,0]=4 157 B9R1.15 NC1=C(N=CC=N1)CO Z1198237691 [2,0,0,0,0,0|2,0,0]=4 158 B9R1.15 NCC1=C(N=CC=N1)Cl Z2472857434 [2,0,0,0,0,0|2,0,0]=4 159 B11R1.17 CC1=C(C=CC=C1)CCCN Z424782962 [1,1,0,0,0,0|2,0,0]=4 160 B11R1.17 CC1=C(C=CC=C1)CCCO Z979436644 [1,1,0,0,0,0|2,0,0]=4 161 B11R1.17 CC1=C(N=CC=C1)CCC#N Z1862003349 [1,1,0,0,0,0|1,0,1]=4 162 B11R1.17 CC1=C(N=CC=C1)CCCN Z1198262715 [1,1,0,0,0,0|1,0,0]=3 163 B11R1.17 CCCOC1=C(N=CC=N1)N Z1821324848 [1,1,0,0,0,0|1,0,0]=3 164 B11R1.17 CCNCC1=C(C=CC=C1)C Z90513218 [1,1,0,0,0,0|2,0,0]=4 165 B11R1.17 CCSCC1=C(N=CC=C1)N Z991493204 [1,1,0,0,0,0|2,0,0]=4 166 B11R1.17 CNCCC1=C(C=CC=C1)C Z2234185664 [1,1,0,0,0,0|2,0,0]=4 167 B11R1.41 CCCC1=C(C=CC=C1)CN Z3241253417 [1,1,0,0,0,0|2,0,0]=4 168 B11R1.41 CCOC1=C(C=CC=N1)CN Z240084032 [1,1,0,0,0,0|2,0,0]=4 169 B11R1.41 CCSC1=C(N=CC=N1)C#N Z995023798 [1,1,0,0,0,0|1,0,1]=4 170 B11R1.41 COC1=C(C=CC=N1)CCO Z1504674309 [1,1,0,0,0,0|2,0,0]=4 171 B11R1.81 CC1=CC(=C(N=C1)CCO)C Z1504687585 [1,1,0,0,0,0|2,0,0]=4 172 B11R1.81 CCOC1=C(N=C(C=C1)N)C Z2583036218 [1,1,0,0,0,0|2,0,0]=4 173 B11R1.81 COCC1=C(N=C(C=C1)N)C Z1262680326 [1,1,0,0,0,0|2,0,0]=4 174 B11R1.222 CCC(=O)C1=C(C=CC=N1)C Z852750672 [1,1,0,0,0,0|1,0,1]=4 175 B11R1.20 CC(C)CC1=CC=C(C=C1)N Z1463350056 [1,1,0,0,0,0|2,0,0]=4 176 B11R1.20 CC(C)CC1=NC=C(C=C1)Br Z1269179231 [1,1,0,0,0,0|1,0,0]=3 177 B11R1.20 CC(C)CC1=NC=C(C=N1)N Z381402572 [1,1,0,0,0,0|2,0,0]=4 178 B11R1.20 CC(C)NC1=NC=C(C=C1)Br Z359297038 [1,1,0,0,0,0|2,0,0]=4 179 B11R1.20 CC(C)OC1=NC=C(C=C1)Br Z808608768 [1,1,0,0,0,0|2,0,0]=4 180 B11R1.20 CN(C)CC1=CN=C(C=C1)N Z1723849137 [1,1,0,0,0,0|2,0,0]=4 181 B11R1.36 CC(C)C(=O)C1=CN=CC=C1 Z513733850 [1,1,0,0,0,0|1,0,1]=4 182 B11R1.36 CC(C)C(N)C1=NC=CC=C1 Z513795924 [1,1,0,0,0,0|1,0,0]=3 183 B11R1.36 CC(C)C(O)C1=NC=CC=C1 Z513749462 [1,1,0,0,0,0|1,0,0]=3 184 B11R1.36 CN(C)C(=O)C1=NC=CN=C1 Z32014540 [1,1,0,0,0,0|1,0,1]=4 185 B11R1.157 CC(C)CC1=CC(=CC=C1)I Z1618143122 [1,1,0,0,0,0|2,0,0]=4 186 B11R1.157 CC(C)CC1=NC=NC(=C1)Cl Z1198234909 [1,1,0,0,0,0|2,0,0]=4 187 B11R1.157 CC(C)OC1=CC(=CN=C1)Br Z1206893743 [1,1,0,0,0,0|2,0,0]=4 188 B11R1.157 CN(C)CC1=CC(=CN=C1)N Z2181809496 [1,1,0,0,0,0|2,0,0]=4 189 B11R1.53 CC(C)C1=C(C=CC=N1)C=O Z1255398088 [0,1,0,0,1,0|1,0,1]=4 190 B11R1.53 CC(C)C1=C(N=CC=C1)CN Z4927326966 [0,1,0,0,1,0|1,0,0]=3 191 B11R1.53 CNC1=C(C=CC=C1)C(C)C Z335263032 [0,1,0,0,1,0|2,0,0]=4 192 B11R1.53 CNC1=C(N=CC=C1)N(C)C Z1082871914 [0,1,0,0,1,0|2,0,0]=4 193 B11R1.87 CC(C)(C)C1=C(C=CC=N1)O Z1198153185 [0,1,0,0,1,0|2,0,0]=4 194 B11R1.87 CC(C)(C)C1=C(N=CC=C1)N Z1192017799 [0,1,0,0,1,0|2,0,0]=4 195 B11R1.87 CC(C)(C)C1=NC=CNC1=O Z1606819839 [0,1,0,0,1,0|1,0,1]=4 196 B11R1.87 CC1=C(C=CC=C1)C(C)(C)O Z449373950 [0,1,0,0,1,0|2,0,0]=4 197 B11R1.159 CC1=C(C=CC=C1N)C(C)C Z2740750367 [0,1,0,0,1,0|2,0,0]=4 198 B11R1.166 CC1=C(C=CC(=C1)Br)C(C)C Z1861997013 [0,1,0,0,1,0|2,0,0]=4 199 B11R1.166 CC1=C(C=CC(=C1)O)C(C)C Z104476618 [0,1,0,0,1,0|2,0,0]=4 200 B11R1.167 CC(C)C1=C(N=CC(=C1)Cl)N Z1197892620 [0,1,0,0,1,0|2,0,0]=4 201 B11R1.57 CC(C)CN1C=CN=C1CN Z965811490 [0,1,0,0,1,0|1,0,0]=3 202 B11R1.57 CC(C)CN1N=CC=C1C=O Z1416179037 [0,1,0,0,1,0|1,0,1]=4 203 B11R1.57 CC(C)CN1N=CN=C1CO Z1266917928 [0,1,0,0,1,0|1,0,0]=3 204 B11R1.89 CC(C)C(=O)C1=NC=CN1C Z86499931 [0,1,0,0,1,0|1,0,1]=4 205 B11R1.89 CC(C)C(N)C1=NC=CN1C Z381352938 [0,1,0,0,1,0|1,0,0]=3 206 B11R1.89 CC(C)C(O)C1=NC=CN1C Z362781444 [0,1,0,0,1,0|1,0,0]=3 207 B11R1.228 CC(C=O)CC1=CC=NN1C Z1238838222 [0,1,0,0,1,0|1,0,1]=4 208 B11R1.228 CC1=NC=CN1CC(C)CN Z600428296 [0,1,0,0,1,0|1,0,0]=3 209 B11R1.228 CCN(C)CC1=C(C=CS1)C Z162940532 [0,1,0,0,1,0|2,0,0]=4 210 B11R1.495 CC1=C(C(=NN1)N)CC(C)C Z1266854836 [0,1,0,0,1,0|1,0,1]=4 211 B11R1.495 CC1=NOC(=C1CC(C)N)C Z803080838 [0,1,0,0,1,0|2,0,0]=4 212 B11R1.645 CC1=CC(=NN1CC(C)N)C Z451452516 [0,1,0,0,1,0|2,0,0]=4 213 B13R1.90 CC(C)OCC1=C(C=CC=C1)CN Z324553202 [0,1,0,0,0,1|2,0,0]=4 214 B13R1.150 CC1=C(C=CC=C1N)COC(C)C Z425792622 [0,1,0,0,0,1|2,0,0]=4 215 B13R1.150 CC1=C(C=CC=C1N)CSC(C)C Z600446634 [0,1,0,0,0,1|2,0,0]=4 216 B13R1.157 CC(C)(N)COC1=C(C=CC=N1)Br Z1483956932 [0,1,0,0,0,1|2,0,0]=4 217 B13R1.157 CC1=C(C=CC=C1)SCC(C)(C)O Z600461500 [0,1,0,0,0,1|2,0,0]=4 218 B13R1.201 CC1=C(C=CC=C1)C(=O)CC(C)C Z513734716 [0,1,0,0,0,1|2,0,0]=4 219 B13R1.201 CC1=C(C=CC=C1)C(N)CC(C)C Z3069282331 [0,1,0,0,0,1|2,0,0]=4 220 B13R1.528 CC(CO)CNC1=C(N=CC=N1)Cl Z1258596742 [0,1,0,0,0,1|1,0,0]=3 221 B13R1.893 CC1=NC(=C(N=C1)C)CCC(C)C Z1861997395 [0,1,0,0,0,1|0,0,0]=2 222 B13R1.91 CNC(C)CC1=C(C=CC=C1)OC Z1691545280 [0,2,0,0,0,0|2,0,0]=4 223 B13R1.622 COC1=C(C=CC=C1)CC(C)(C)N Z839115174 [0,2,0,0,0,0|2,0,0]=4 224 B13R1.276 CC1=C(C=CC=C1)C(N)C(C)(C)C Z513798274 [0,2,0,0,0,0|2,0,0]=4 225 B13R1.720 CC1=C(C=CC=C1)C(C#N)C(C)C Z1255452397 [0,2,0,0,0,0|2,0,0]=4 226 B13R1.720 CNC(C1=C(C=CC=C1)C)C(C)C Z513803350 [0,2,0,0,0,0|2,0,0]=4 227 B13R1.2808 CC1=NC(=NC(=C1CC(C)C)C)Cl Z1269676855 [0,2,0,0,0,0|2,0,0]=4 228 B13R1.335 CC1=C(C=CC=C1)CC(CN)CO Z285055100 [0,2,0,0,0,0|2,0,0]=4 229 B11R2.10 NC1CC2=C(C1)N=CC=C2 Z3069017080 [1,0,0,1,0,0|2,0,0]=4 230 B11R2.10 NC1CC2=C(C1)N=CC=N2 Z4953585301 [1,0,0,1,0,0|1,0,0]=3 231 B11R2.20 C1=CC2=C(CCCC2)N=C1 Z1201617100 [1,0,0,1,0,0|1,0,0]=3 232 B11R2.20 C1=CC2=C(CCCN2)N=C1 Z212053854 [1,0,0,1,0,0|2,0,0]=4 233 B11R2.20 C1=CC2=C(CCNC2)N=C1 Z2142036515 [1,0,0,1,0,0|2,0,0]=4 234 B11R2.20 C1=CC2=C(CCSC2)N=C1 Z3492694447 [1,0,0,1,0,0|2,0,0]=4 235 B11R2.20 C1=CC2=C(N=C1)NCCC2 Z1198176448 [1,0,0,1,0,0|2,0,0]=4 236 B11R2.20 C1=NC2=C(CNCC2)N=C1 Z5626910804 [1,0,0,1,0,0|1,0,0]=3 237 B11R2.55 NC1=C(C=CC=N1)C2CC2 Z4496948738 [1,0,0,1,0,0|2,0,0]=4 238 B11R2.55 NC1=C(N=CC=C1)C2CC2 Z1521319401 [1,0,0,1,0,0|2,0,0]=4 239 B11R2.55 NC1=C(N=CC=N1)C2CC2 Z1203653375 [1,0,0,1,0,0|1,0,0]=3 240 B11R2.238 C1=CC(=CN=C1)NC2CC2 Z1203747527 [1,0,0,1,0,0|2,0,0]=4 241 B11R2.1 CC1CNC2=C1N=CC=C2 Z3464420345 [0,0,0,1,1,0|2,0,0]=4 242 B11R2.36 CC1CCN2N=CN=C2N1 Z1834431701 [0,0,0,1,1,0|2,0,0]=4 243 B11R2.36 CC1CN2N=CC=C2CN1 Z2574938525 [0,0,0,1,1,0|2,0,0]=4 244 B11R2.36 CC1CNC2=NC=NN2C1 Z1834431655 [0,0,0,1,1,0|2,0,0]=4 245 B11R2.36 NC1CCC2=C(C1)N=CN2 Z1473962907 [0,0,0,1,1,0|1,0,1]=4 246 B11R2.36 NC1CCC2=C(C1)SC=N2 Z2310679110 [0,0,0,1,1,0|2,0,0]=4 247 B11R2.36 NC1CCC2=NC=CN2C1 Z406361508 [0,0,0,1,1,0|2,0,0]=4 248 B11R2.36 NC1CCC2=NC=NN2C1 Z1138834266 [0,0,0,1,1,0|2,0,0]=4 249 B11R2.36 NC1CCN2C=CN=C2C1 Z3235143758 [0,0,0,1,1,0|2,0,0]=4 250 B11R2.36 NC1CCN2N=CC=C2C1 Z2471604126 [0,0,0,1,1,0|2,0,0]=4 251 B11R2.36 NC1CCN2N=CN=C2C1 Z2310677934 [0,0,0,1,1,0|2,0,0]=4 252 B11R2.36 N[C@H]1CCC2=C(C1)SC=N2 Z2327402646 [0,0,0,1,1,0|2,0,0]=4 253 B11R2.36 OC1CCC2=C(C1)N=CN2 Z2235821828 [0,0,0,1,1,0|1,0,1]=4 254 B11R2.36 OC1CCN2N=CC=C2C1 Z1255392230 [0,0,0,1,1,0|2,0,0]=4 255 B11R2.51 CN1N=CC=C1[C@@H]2C[C@H]2N Z3483425410 [0,0,0,1,1,0|2,0,0]=4 256 B11R2.115 NC1=CC=NN1CC2CC2 Z445154762 [0,0,0,1,1,0|2,0,0]=4 257 B13R2.33 CC1CCC2=C(C=CC=C2)NC1 Z5621098910 [0,0,0,1,0,1|2,0,0]=4 258 B13R2.222 CC1(CC2=C(C=CC=C2)CN1)C Z3235901726 [0,0,0,1,0,1|2,0,0]=4 259 B13R2.222 CC1(CNC2=C(C1)C=CC=C2)C Z3817108766 [0,0,0,1,0,1|2,0,0]=4 260 B13R2.222 CC1(CNC2=C(C1)C=CC=N2)C Z4449638275 [0,0,0,1,0,1|1,0,0]=3 261 B13R2.222 CC1(CNC2=C(O1)C=CC=N2)C Z1255421457 [0,0,0,1,0,1|2,0,0]=4 262 B13R2.3587 BrC1=C(N=CC=C1)OCC2CC2 Z808605176 [0,0,0,1,0,1|2,0,0]=4 263 B13R2.243 CC1(CC2=C(C1N)C=CC=C2)C Z4167757602 [0,1,0,1,0,0|2,0,0]=4 264 B13R2.328 CC1CC(=O)C2=C(C1)C=CC=N2 Z4048181494 [0,1,0,1,0,0|1,0,1]=4 265 B13R2.32 CC1CCC2=C(C1N)C=CC=C2 Z1539988085 [0,1,0,1,0,0|2,0,0]=4 266 B13R2.3097 CC1=C(N=CC=C1)C(N)C2CC2 Z2313531961 [0,1,0,1,0,0|1,0,0]=3 267 B13R2.3051 CC1(CC2=C(C1)C=C(C=C2)N)C Z2894245187 [0,1,0,1,0,0|2,0,0]=4 268 B13R2.3051 CC1(CC2=C(C1)C=C(C=C2)O)C Z1513871406 [0,1,0,1,0,0|2,0,0]=4 269 B13R2.4826 CC1(CC2=C(C1)C(=CC=C2)N)C Z4509556847 [0,1,0,1,0,0|2,0,0]=4 270 B13R2.3683 CC1CCC2=C(C1)C=NC(=N2)N Z1137168265 [0,1,0,1,0,0|2,0,0]=4 271 B13R2.57 CNC1CCC2=C(C1)C=CC=C2 Z102767748 [0,1,0,1,0,0|2,0,0]=4 272 B13R2.103 CC1(CC2=C(C1)C=CC=C2)CO Z1896371614 [0,1,0,1,0,0|2,0,0]=4 273 B13R2.162 NC1CCC2=C(C1)C(=CC=N2)O Z5113824288 [0,1,0,1,0,0|2,0,0]=4 274 B9R1.33 CC1=C(N=CN1)CCN Z1682072469 [1,0,0,0,1,0|1,0,1]=4 275 B9R1.33 CC1=C(N=CO1)CCN Z4133751936 [1,0,0,0,1,0|2,0,0]=4 276 B9R1.33 CC1=C(SC=N1)CCCl Z945806150 [1,0,0,0,1,0|2,0,0]=4 277 B9R1.33 CC1=C(SC=N1)CCN Z945840330 [1,0,0,0,1,0|2,0,0]=4 278 B9R1.33 CC1=C(SC=N1)CCO Z104477768 [1,0,0,0,1,0|2,0,0]=4 279 B9R1.33 CC1=NC=CN1CCN Z271005730 [1,0,0,0,1,0|2,0,0]=4 280 B9R1.33 CC1=NC=CN1CCO Z425794744 [1,0,0,0,1,0|2,0,0]=4 281 B9R1.33 CC1=NC=CN1CCS Z820771758 [1,0,0,0,1,0|2,0,0]=4 282 B9R1.33 CC1=NNC=C1CCN Z4991178728 [1,0,0,0,1,0|2,0,0]=4 283 B9R1.33 CC1=NNN=C1CCN Z4526316913 [1,0,0,0,1,0|2,0,0]=4 284 B9R1.33 CCCC1=NON=C1N Z359374180 [1,0,0,0,1,0|2,0,0]=4 285 B9R1.33 CCCN1C=CN=C1S Z57043495 [1,0,0,0,1,0|2,0,0]=4 286 B9R1.33 CN1C=CN=C1CCN Z2805865782 [1,0,0,0,1,0|2,0,0]=4 287 B9R1.33 CN1C=CN=C1CCO Z1183455332 [1,0,0,0,1,0|2,0,0]=4 288 B9R1.33 CN1N=CC=C1CCCl Z1824511155 [1,0,0,0,1,0|2,0,0]=4 289 B9R1.33 CN1N=CC=C1CCN Z1183446166 [1,0,0,0,1,0|2,0,0]=4 290 B9R1.33 CN1N=CC=C1CCO Z1183446153 [1,0,0,0,1,0|2,0,0]=4 291 B9R1.33 CN1N=CN=C1CCN Z1405445912 [1,0,0,0,1,0|2,0,0]=4 292 B9R1.33 CNCC1=C(C=CS1)C Z85956636 [1,0,0,0,1,0|2,0,0]=4 293 B9R1.33 CNCC1=C(N=CS1)C Z385446916 [1,0,0,0,1,0|2,0,0]=4 294 B9R1.33 CNCC1=C(OC=C1)C Z818732086 [1,0,0,0,1,0|2,0,0]=4 295 B9R1.33 CNCC1=CSN=C1C Z4996662980 [1,0,0,0,1,0|2,0,0]=4 296 B9R1.33 CNCC1=NC=CN1C Z94601315 [1,0,0,0,1,0|2,0,0]=4 297 B9R1.33 CNCC1=NC=NN1C Z995119858 [1,0,0,0,1,0|2,0,0]=4 298 B9R1.6 CC(=O)C1=NC=CN=C1 Z513735920 [1,0,0,0,1,0|1,0,1]=4 299 B9R1.6 CC(C)C1=NC=CC=C1 Z1198148831 [1,0,0,0,1,0|1,0,0]=3 300 B9R1.6 CC(N)C1=CN=CC=C1 Z85921957 [1,0,0,0,1,0|2,0,0]=4 301 B9R1.6 CC(N)C1=NC=CC=C1 Z56347059 [1,0,0,0,1,0|2,0,0]=4 302 B9R1.6 CC(O)C1=CN=CC=C1 Z335245084 [1,0,0,0,1,0|2,0,0]=4 303 B9R1.6 CC(O)C1=NC=CC=C1 Z335244914 [1,0,0,0,1,0|2,0,0]=4 304 B9R1.6 CC(O)C1=NC=CN=C1 Z513751834 [1,0,0,0,1,0|1,0,0]=3 305 B9R1.6 CN(C)C1=CN=CC=C1 Z1201619922 [1,0,0,0,1,0|2,0,0]=4 306 B9R1.13 CC(C)CN1C=CC=N1 Z431509688 [1,0,0,0,1,0|1,0,0]=3 307 B9R1.13 CC(C)OC1=CNN=C1 Z1618144071 [1,0,0,0,1,0|2,0,0]=4 308 B9R1.13 CC(C)SC1=NC=CN1 Z1203735020 [1,0,0,0,1,0|1,0,1]=4 309 B9R1.13 CC(N)CC1=CC=CO1 Z285143986 [1,0,0,0,1,0|2,0,0]=4 310 B9R1.13 CC(N)CC1=CC=CS1 Z1160899518 [1,0,0,0,1,0|2,0,0]=4 311 B9R1.13 CC(N)CC1=CNN=C1 Z5233405251 [1,0,0,0,1,0|2,0,0]=4 312 B9R1.13 CC(N)CC1=COC=C1 Z1098234443 [1,0,0,0,1,0|2,0,0]=4 313 B9R1.13 CC(N)CN1C=CC=N1 Z271011614 [1,0,0,0,1,0|2,0,0]=4 314 B9R1.13 CC(N)CN1C=CN=C1 Z271011862 [1,0,0,0,1,0|2,0,0]=4 315 B9R1.13 CC(N)CN1C=NC=N1 Z271011738 [1,0,0,0,1,0|2,0,0]=4 316 B9R1.13 CC(O)CN1C=CC=N1 Z600458296 [1,0,0,0,1,0|2,0,0]=4 317 B9R1.13 CC(O)CN1C=CN=C1 Z600458136 [1,0,0,0,1,0|2,0,0]=4 318 B9R1.13 CN(C)CC1=CC=CN1 Z810541778 [1,0,0,0,1,0|1,0,1]=4 319 B9R1.13 CN(C)CC1=CNN=C1 Z5148063728 [1,0,0,0,1,0|2,0,0]=4 320 B9R1.41 CC(C)C1=C(C=CS1)N Z4702454044 [0,0,0,0,2,0|2,0,0]=4 321 B9R1.41 CC(C)C1=C(N=CS1)N Z2146513878 [0,0,0,0,2,0|2,0,0]=4 322 B9R1.41 CC(C)C1=CNN=C1N Z1198316279 [0,0,0,0,2,0|2,0,0]=4 323 B9R1.41 CC(C)C1=CON=C1N Z1707473656 [0,0,0,0,2,0|2,0,0]=4 324 B9R1.41 CC(C)C1=NC=CN1C Z1198309810 [0,0,0,0,2,0|1,0,0]=3 325 B9R1.41 CC(C)C1=NN=CN1C Z992282676 [0,0,0,0,2,0|2,0,0]=4 326 B9R1.41 CC(C)C1=NNC=C1N Z2734283894 [0,0,0,0,2,0|2,0,0]=4 327 B9R1.41 CC(C)C1=NON=C1N Z359374182 [0,0,0,0,2,0|2,0,0]=4 328 B9R1.41 CC(C)N1C=CN=C1S Z220434798 [0,0,0,0,2,0|2,0,0]=4 329 B9R1.41 CC(C)N1N=CC=C1N Z55928891 [0,0,0,0,2,0|2,0,0]=4 330 B9R1.41 CC(C)N1N=CN=C1N Z995040876 [0,0,0,0,2,0|2,0,0]=4 331 B9R1.41 CC(N)C1=NC=CN1C Z2581825158 [0,0,0,0,2,0|2,0,0]=4 332 B9R1.41 CC(N)C1=NC=NN1C Z1824511251 [0,0,0,0,2,0|2,0,0]=4 333 B9R1.41 CC(O)C1=NC=CN1C Z1183454575 [0,0,0,0,2,0|2,0,0]=4 334 B9R1.41 CC(O)C1=NC=NN1C Z2043691446 [0,0,0,0,2,0|2,0,0]=4 335 B9R1.41 CC1=C(SC=C1)C(C)O Z837065414 [0,0,0,0,2,0|2,0,0]=4 336 B9R1.41 CC1=C(SC=N1)C(C)N Z414834562 [0,0,0,0,2,0|2,0,0]=4