0 B12R2.44 C#CC1=CC2=C(C=C1)C=NN2 Z1322794222 [0,0,0,0,0,0|3,0,1]=4 1 B12R2.44 C#CC1=CC2=C(C=C1)NC=C2 Z1201625706 [0,0,0,0,0,0|2,0,2]=4 2 B12R2.44 CCC1=CC2=C(C=C1)NC=N2 Z1474026103 [0,0,0,0,0,0|1,0,2]=3 3 B12R2.44 CCC1=CC2=C(C=C1)NCC2 Z1270207865 [0,0,0,0,0,0|2,0,2]=4 4 B12R2.44 CNC1=CC2=C(C=C1)OCO2 Z4179948758 [0,0,0,0,0,0|3,0,1]=4 5 B12R2.44 COC1=CC2=C(C=C1)NC=C2 Z104507276 [0,0,0,0,0,0|1,0,1]=2 6 B12R2.44 COC1=CC2=C(C=C1)NCC2 Z235539064 [0,0,0,0,0,0|1,0,2]=3 7 B12R2.44 COC1=CC2=C(C=C1)OC=N2 Z1198314976 [0,0,0,0,0,0|1,0,1]=2 8 B12R2.44 COC1=CC2=C(C=C1)SC=N2 Z1198169594 [0,0,0,0,0,0|1,0,1]=2 9 B12R2.44 COC1=NC2=C(C=C1)CCN2 Z1255390060 [0,0,0,0,0,0|2,0,1]=3 10 B12R2.44 COC1=NC2=C(C=CN2)C=C1 Z1203732536 [0,0,0,0,0,0|2,0,0]=2 11 B12R2.44 N#CC1=CC2=C(C=C1)C=NN2 Z1198165338 [0,0,0,0,0,0|4,0,0]=4 12 B12R2.44 N#CC1=CC2=C(C=C1)CCN2 Z1198179940 [0,0,0,0,0,0|3,0,1]=4 13 B12R2.44 N#CC1=CC2=C(C=C1)N=CN2 Z1642061012 [0,0,0,0,0,0|2,0,0]=2 14 B12R2.44 N#CC1=CC2=C(C=C1)NC=C2 Z1203730728 [0,0,0,0,0,0|3,0,1]=4 15 B12R2.44 N#CC1=CC2=C(C=C1)OC=N2 Z1033256930 [0,0,0,0,0,0|3,0,1]=4 16 B12R2.44 N#CC1=CC2=C(C=C1)SC=C2 Z1198165874 [0,0,0,0,0,0|4,0,0]=4 17 B12R2.44 N#CC1=CC2=C(C=C1)SC=N2 Z1198169595 [0,0,0,0,0,0|3,0,1]=4 18 B12R2.44 N#CC1=CC2=C(C=CN2)C=C1 Z1201617280 [0,0,0,0,0,0|3,0,0]=3 19 B12R2.44 N#CC1=NC2=C(C=CN2)C=C1 Z1198169602 [0,0,0,0,0,0|4,0,0]=4 20 B12R2.44 NCC1=CC2=C(C=C1)C=NN2 Z3235024497 [0,0,0,0,0,0|4,0,0]=4 21 B12R2.44 NCC1=CC2=C(C=C1)N=CS2 Z3681771763 [0,0,0,0,0,0|3,0,0]=3 22 B12R2.44 NCC1=CC2=C(C=C1)NC=N2 Z2235810192 [0,0,0,0,0,0|2,0,2]=4 23 B12R2.44 NCC1=CC2=C(C=C1)SC=C2 Z1198323676 [0,0,0,0,0,0|4,0,0]=4 24 B12R2.44 NCC1=CC2=C(C=C1)SC=N2 Z5067435523 [0,0,0,0,0,0|3,0,1]=4 25 B12R2.44 NCC1=CC2=C(C=CO2)C=C1 Z965074230 [0,0,0,0,0,0|4,0,0]=4 26 B12R2.44 NCC1=CC2=NON=C2C=C1 Z2900166943 [0,0,0,0,0,0|3,0,1]=4 27 B12R2.44 NCC1=CC2=NSN=C2C=C1 Z3072402475 [0,0,0,0,0,0|3,0,1]=4 28 B12R2.44 NCC1=CN2N=CN=C2C=C1 Z1486012484 [0,0,0,0,0,0|3,0,1]=4 29 B12R2.44 NCC1=NC2=C(C=CN2)C=C1 Z2310702029 [0,0,0,0,0,0|4,0,0]=4 30 B12R2.44 O=CC1=CC2=C(C=C1)C=NN2 Z3485358093 [0,0,0,0,0,0|4,0,0]=4 31 B12R2.44 O=CC1=CC2=C(C=C1)N=CS2 Z1255419863 [0,0,0,0,0,0|3,0,0]=3 32 B12R2.44 O=CC1=CC2=C(C=C1)NC=C2 Z254198328 [0,0,0,0,0,0|3,0,1]=4 33 B12R2.44 O=CC1=CC2=C(C=C1)NC=N2 Z1021421726 [0,0,0,0,0,0|2,0,2]=4 34 B12R2.44 O=CC1=CC2=C(C=C1)OC=C2 Z1201622196 [0,0,0,0,0,0|4,0,0]=4 35 B12R2.44 O=CC1=CC2=C(C=C1)SC=C2 Z1201623148 [0,0,0,0,0,0|4,0,0]=4 36 B12R2.44 O=CC1=CC2=C(C=C1)SC=N2 Z1255396184 [0,0,0,0,0,0|3,0,1]=4 37 B12R2.44 O=CC1=CC2=C(C=CN2)C=C1 Z1203162328 [0,0,0,0,0,0|3,0,0]=3 38 B12R2.44 O=CC1=CC2=CC=NN2C=C1 Z1255420637 [0,0,0,0,0,0|4,0,0]=4 39 B12R2.44 O=CC1=CC2=CON=C2C=C1 Z1416197933 [0,0,0,0,0,0|4,0,0]=4 40 B12R2.44 O=CC1=CC2=NC=NN2C=C1 Z1198729223 [0,0,0,0,0,0|3,0,1]=4 41 B12R2.44 O=CC1=CC2=NON=C2C=C1 Z1201620890 [0,0,0,0,0,0|3,0,1]=4 42 B12R2.44 O=CC1=CC2=NSN=C2C=C1 Z1201620151 [0,0,0,0,0,0|3,0,1]=4 43 B12R2.44 O=CC1=NC2=C(C=CN2)C=C1 Z1198180847 [0,0,0,0,0,0|4,0,0]=4 44 B12R2.44 OCC1=CC2=C(C=C1)C=NN2 Z1198309357 [0,0,0,0,0,0|4,0,0]=4 45 B12R2.44 OCC1=CC2=C(C=C1)NC=C2 Z1201621651 [0,0,0,0,0,0|3,0,1]=4 46 B12R2.44 OCC1=CC2=C(C=C1)OC=C2 Z1201622887 [0,0,0,0,0,0|4,0,0]=4 47 B12R2.44 OCC1=CC2=CC=NN2C=C1 Z1255416906 [0,0,0,0,0,0|4,0,0]=4 48 B12R2.44 OCC1=CC2=NC=NN2C=C1 Z1504687239 [0,0,0,0,0,0|3,0,1]=4 49 B12R2.44 OCC1=CC2=NSN=C2C=C1 Z1201621957 [0,0,0,0,0,0|3,0,1]=4 50 B12R2.44 OCC1=NC2=C(C=CN2)C=C1 Z1486000639 [0,0,0,0,0,0|4,0,0]=4 51 B11R2.36 BrC1=CC2=C(C=C1)CC=C2 Z1255379634 [1,0,0,0,0,0|3,0,0]=4 52 B11R2.36 BrC1=CC2=C(C=C1)CCN2 Z1267773746 [1,0,0,0,0,0|2,0,1]=4 53 B11R2.36 BrC1=CC2=C(C=C1)N=CO2 Z1198161423 [1,0,0,0,0,0|2,0,0]=3 54 B11R2.36 BrC1=CC2=C(C=C1)NC=C2 Z104489174 [1,0,0,0,0,0|2,0,1]=4 55 B11R2.36 BrC1=CC2=C(C=C1)NC=N2 Z382822766 [1,0,0,0,0,0|1,0,2]=4 56 B11R2.36 BrC1=CC2=C(C=C1)SC=N2 Z1269222968 [1,0,0,0,0,0|2,0,1]=4 57 B11R2.36 BrC1=CC2=C(C=CN2)C=C1 Z752239748 [1,0,0,0,0,0|2,0,0]=3 58 B11R2.36 BrC1=CC2=C(C=CN2)N=C1 Z1198219527 [1,0,0,0,0,0|3,0,0]=4 59 B11R2.36 BrC1=CC2=C(C=CO2)C=C1 Z1198180633 [1,0,0,0,0,0|3,0,0]=4 60 B11R2.36 BrC1=CC2=C(C=CS2)C=C1 Z1269160602 [1,0,0,0,0,0|3,0,0]=4 61 B11R2.36 BrC1=CC2=CON=C2C=C1 Z1255367395 [1,0,0,0,0,0|3,0,0]=4 62 B11R2.36 BrC1=CC2=NON=C2C=C1 Z1201621839 [1,0,0,0,0,0|2,0,1]=4 63 B11R2.36 BrC1=CC2=NSN=C2C=C1 Z1269146473 [1,0,0,0,0,0|2,0,1]=4 64 B11R2.36 BrC1=CN2C=CN=C2C=C1 Z855892306 [1,0,0,0,0,0|3,0,0]=4 65 B11R2.36 BrC1=CNC2=NC=CC2=C1 Z1696844476 [1,0,0,0,0,0|3,0,0]=4 66 B11R2.36 BrC1=CNC2=NC=NC2=C1 Z1259341134 [1,0,0,0,0,0|2,0,1]=4 67 B11R2.36 CC1=CC2=C(C=C1)CCN2 Z1269638555 [1,0,0,0,0,0|1,0,1]=3 68 B11R2.36 CC1=CC2=C(C=C1)CNC2 Z2238336530 [1,0,0,0,0,0|3,0,0]=4 69 B11R2.36 CC1=CC2=C(C=C1)N=CN2 Z3234957798 [1,0,0,0,0,0|0,0,0]=1 70 B11R2.36 CC1=CC2=C(C=C1)N=CS2 Z1198156828 [1,0,0,0,0,0|1,0,0]=2 71 B11R2.36 CC1=CC2=C(C=C1)NC=C2 Z979311300 [1,0,0,0,0,0|1,0,1]=3 72 B11R2.36 CC1=CC2=C(C=C1)NCC2 Z235539062 [1,0,0,0,0,0|1,0,2]=4 73 B11R2.36 CC1=CC2=C(C=C1)NN=C2 Z276614446 [1,0,0,0,0,0|2,0,1]=4 74 B11R2.36 CC1=CC2=C(C=C1)OC=C2 Z1198151070 [1,0,0,0,0,0|2,0,0]=3 75 B11R2.36 CC1=CC2=C(C=C1)OCO2 Z1255364672 [1,0,0,0,0,0|2,0,1]=4 76 B11R2.36 CC1=CC2=C(C=CN2)C=C1 Z384970524 [1,0,0,0,0,0|1,0,0]=2 77 B11R2.36 CC1=CC2=C(N=C1)NC=C2 Z4875053303 [1,0,0,0,0,0|2,0,1]=4 78 B11R2.36 CC1=CC2=NSN=C2C=C1 Z1201619539 [1,0,0,0,0,0|1,0,1]=3 79 B11R2.36 CC1=NC2=C(C=C1)N=CN2 Z1925930546 [1,0,0,0,0,0|1,0,0]=2 80 B11R2.36 CC1=NC2=C(C=CN2)C=N1 Z1198729301 [1,0,0,0,0,0|3,0,0]=4 81 B11R2.36 CC1=NC=C2C=CNC2=C1 Z1255420119 [1,0,0,0,0,0|2,0,0]=3 82 B11R2.36 CC1=NC=C2CCNC2=C1 Z2651710943 [1,0,0,0,0,0|2,0,1]=4 83 B11R2.36 ClC1=CC2=C(C=C1)CCN2 Z926915320 [1,0,0,0,0,0|2,0,1]=4 84 B11R2.36 ClC1=CC2=C(C=C1)NC=C2 Z1095352660 [1,0,0,0,0,0|2,0,1]=4 85 B11R2.36 ClC1=CC2=C(C=CN2)C=C1 Z382723678 [1,0,0,0,0,0|2,0,0]=3 86 B11R2.36 FC1=CC2=C(C=C1)CCN2 Z440803576 [1,0,0,0,0,0|2,0,1]=4 87 B11R2.36 FC1=CC2=C(C=C1)NC=C2 Z1160902020 [1,0,0,0,0,0|2,0,1]=4 88 B11R2.36 FC1=CC2=C(C=CN2)C=C1 Z382723676 [1,0,0,0,0,0|2,0,0]=3 89 B11R2.36 FC1=CC2=C(C=CN2)N=C1 Z1255388239 [1,0,0,0,0,0|3,0,0]=4 90 B11R2.36 IC1=CC2=C(C=C1)N=CN2 Z2757552913 [1,0,0,0,0,0|1,0,0]=2 91 B11R2.36 NC1=CC2=C(C=C1)C=NN2 Z104500558 [1,0,0,0,0,0|3,0,0]=4 92 B11R2.36 NC1=CC2=C(C=C1)N=CO2 Z385373514 [1,0,0,0,0,0|2,0,0]=3 93 B11R2.36 NC1=CC2=C(C=C1)NC=C2 Z271138340 [1,0,0,0,0,0|2,0,1]=4 94 B11R2.36 NC1=CC2=C(C=C1)NC=N2 Z1741960823 [1,0,0,0,0,0|1,0,2]=4 95 B11R2.36 NC1=CC2=C(C=C1)SC=C2 Z119989090 [1,0,0,0,0,0|3,0,0]=4 96 B11R2.36 NC1=CC2=C(C=C1)SC=N2 Z425486860 [1,0,0,0,0,0|2,0,1]=4 97 B11R2.36 NC1=CC2=C(C=CN2)C=C1 Z752239752 [1,0,0,0,0,0|2,0,0]=3 98 B11R2.36 NC1=CC2=C(C=CN2)N=C1 Z1198234651 [1,0,0,0,0,0|3,0,0]=4 99 B11R2.36 NC1=CC2=C(C=CO2)C=C1 Z1198313503 [1,0,0,0,0,0|3,0,0]=4 100 B11R2.36 NC1=CC2=C(C=CS2)C=C1 Z2651578500 [1,0,0,0,0,0|3,0,0]=4 101 B11R2.36 NC1=CC2=C(N=C1)N=NN2 Z5533927053 [1,0,0,0,0,0|3,0,0]=4 102 B11R2.36 NC1=CC2=NC=NN2C=C1 Z3637084929 [1,0,0,0,0,0|2,0,1]=4 103 B11R2.36 NC1=CC2=NON=C2C=C1 Z3606329476 [1,0,0,0,0,0|2,0,1]=4 104 B11R2.36 NC1=CC2=NSN=C2C=C1 Z1201619601 [1,0,0,0,0,0|2,0,1]=4 105 B11R2.36 NC1=CN2C=CN=C2C=C1 Z1235951207 [1,0,0,0,0,0|3,0,0]=4 106 B11R2.36 NC1=NC2=C(C=CN2)C=C1 Z1198176781 [1,0,0,0,0,0|3,0,0]=4 107 B11R2.36 OC1=CC2=C(C=C1)C=NN2 Z1198147845 [1,0,0,0,0,0|2,0,0]=3 108 B11R2.36 OC1=CC2=C(C=C1)C=NS2 Z1513829991 [1,0,0,0,0,0|3,0,0]=4 109 B11R2.36 OC1=CC2=C(C=C1)CCN2 Z3241260546 [1,0,0,0,0,0|1,0,1]=3 110 B11R2.36 OC1=CC2=C(C=C1)CNC2 Z2489383861 [1,0,0,0,0,0|3,0,0]=4 111 B11R2.36 OC1=CC2=C(C=C1)NC=C2 Z1203162319 [1,0,0,0,0,0|1,0,1]=3 112 B11R2.36 OC1=CC2=C(C=C1)NC=N2 Z1042386518 [1,0,0,0,0,0|0,0,2]=3 113 B11R2.36 OC1=CC2=C(C=C1)NN=C2 Z1209763128 [1,0,0,0,0,0|2,0,1]=4 114 B11R2.36 OC1=CC2=C(C=C1)OC=N2 Z1198313500 [1,0,0,0,0,0|1,0,1]=3 115 B11R2.36 OC1=CC2=C(C=C1)OCC2 Z1198182902 [1,0,0,0,0,0|2,0,1]=4 116 B11R2.36 OC1=CC2=C(C=C1)OCO2 Z104473678 [1,0,0,0,0,0|2,0,1]=4 117 B11R2.36 OC1=CC2=C(C=C1)SC=C2 Z1255397714 [1,0,0,0,0,0|2,0,0]=3 118 B11R2.36 OC1=CC2=C(C=C1)SN=C2 Z1513812276 [1,0,0,0,0,0|3,0,0]=4 119 B11R2.36 OC1=CC2=C(C=CN2)C=C1 Z1203162244 [1,0,0,0,0,0|1,0,0]=2 120 B11R2.36 OC1=CC2=C(N=C1)NC=C2 Z3215302164 [1,0,0,0,0,0|2,0,1]=4 121 B11R2.36 OC1=CC2=CC=NN2C=C1 Z1198176729 [1,0,0,0,0,0|2,0,0]=3 122 B11R2.36 OC1=CC2=NC=CN2C=C1 Z3270903809 [1,0,0,0,0,0|2,0,1]=4 123 B11R2.36 OC1=CN2C=NN=C2C=C1 Z1813109429 [1,0,0,0,0,0|3,0,0]=4 124 B11R2.36 OC1=NC2=C(C=C1)CCN2 Z5351512817 [1,0,0,0,0,0|2,0,1]=4 125 B11R2.36 OC1=NC2=C(C=C1)NC=C2 Z1198317461 [1,0,0,0,0,0|2,0,1]=4 126 B13R2.84 COC1=C(C2=C(C=C1)C=NN2)F Z1681376243 [0,1,0,0,0,0|2,0,0]=3 127 B13R2.84 COC1=C(C2=C(C=C1)CCC2)Br Z1269137892 [0,1,0,0,0,0|2,0,1]=4 128 B13R2.84 COC1=C(C2=C(C=C1)CCC2)N Z1827894929 [0,1,0,0,0,0|2,0,1]=4 129 B13R2.84 COC1=C(C2=C(C=C1)NC=C2)Br Z1269188720 [0,1,0,0,0,0|1,0,1]=3 130 B13R2.84 COC1=C(C2=C(C=C1)NC=C2)N Z1216831022 [0,1,0,0,0,0|1,0,1]=3 131 B13R2.84 O=CC1=CC=C2C=CNC2=C1F Z3243129976 [0,1,0,0,0,0|3,0,0]=4 132 B13R2.430 CC(=O)C1=CC2=C(C=C1)C=NN2 Z1255492096 [0,1,0,0,0,0|3,0,0]=4 133 B13R2.430 CC(=O)C1=CC2=C(C=C1)N=CS2 Z1255416847 [0,1,0,0,0,0|2,0,0]=3 134 B13R2.430 CC(=O)C1=CC2=C(C=C1)NC=N2 Z382822478 [0,1,0,0,0,0|1,0,2]=4 135 B13R2.430 CC(N)C1=CC2=C(C=C1)N=CS2 Z1255428581 [0,1,0,0,0,0|2,0,0]=3 136 B13R2.430 CC(N)C1=CC2=C(C=C1)NC=N2 Z3485643021 [0,1,0,0,0,0|1,0,2]=4 137 B13R2.430 NC(=O)C1=CC2=C(C=C1)N=CO2 Z1082678580 [0,1,0,0,0,0|3,0,0]=4 138 B13R2.430 NC(=O)C1=CC2=C(C=C1)N=CS2 Z33546392 [0,1,0,0,0,0|3,0,0]=4 139 B13R2.430 NC(=O)C1=NC2=C(C=C1)N=CN2 Z1575227772 [0,1,0,0,0,0|3,0,0]=4 140 B13R2.430 O=C(O)C1=CC2=C(C=C1)N=NN2 Z1718361949 [0,1,0,0,0,0|3,0,0]=4 141 B13R2.430 O=C(O)C1=CC2=C(C=CN2)C=C1 Z385481296 [0,1,0,0,0,0|3,0,0]=4 142 B13R2.430 O=[N+]([O-])C1=CC2=C(C=CN2)C=C1 Z414314666 [0,1,0,0,0,0|3,0,0]=4 143 B13R2.449 CCNC1=CC2=C(C=C1)NC=C2 Z335520150 [0,1,0,0,0,0|2,0,1]=4 144 B13R2.449 CCOC1=CC2=C(C=C1)CNC2 Z2718930989 [0,1,0,0,0,0|3,0,0]=4 145 B13R2.449 CNCC1=CC2=C(C=C1)NC=N2 Z4607150209 [0,1,0,0,0,0|1,0,2]=4 146 B13R2.449 NCCC1=CC2=C(C=C1)OC=C2 Z4327136974 [0,1,0,0,0,0|3,0,0]=4 147 B13R2.449 NCCC1=CC2=C(C=C1)SC=C2 Z4692024239 [0,1,0,0,0,0|3,0,0]=4 148 B13R2.449 NCCC1=CC2=C(C=CN2)C=C1 Z1198178617 [0,1,0,0,0,0|2,0,0]=3 149 B13R2.599 COC1=C(C=C2C=CNC2=C1)Cl Z1198165185 [0,1,0,0,0,0|1,0,0]=2 150 B13R2.599 COC1=C(C=C2C=NNC2=C1)Cl Z1198280323 [0,1,0,0,0,0|2,0,0]=3 151 B13R2.599 COC1=C(C=C2C=NNC2=C1)N Z1198280320 [0,1,0,0,0,0|2,0,0]=3 152 B13R2.599 COC1=C(C=C2CCCC2=C1)O Z1513818935 [0,1,0,0,0,0|2,0,1]=4 153 B13R2.599 COC1=C(C=C2COCC2=C1)Br Z3219627381 [0,1,0,0,0,0|3,0,0]=4 154 B13R2.599 COC1=C(C=C2N=CSC2=C1)N Z3243456329 [0,1,0,0,0,0|1,0,0]=2 155 B13R2.599 COC1=C(C=C2NC=CC2=C1)Cl Z1255373562 [0,1,0,0,0,0|1,0,1]=3 156 B13R2.599 COC1=CC2=NC=CN2C=C1Br Z1681369271 [0,1,0,0,0,0|2,0,1]=4 157 B13R2.654 CC1=C2N=CNC2=CC(=C1)C#N Z1520644780 [0,1,0,0,0,0|2,0,0]=3 158 B13R2.654 COC1=CC2=C(C=CN2)C(=C1)F Z1255426000 [0,1,0,0,0,0|1,0,0]=2 159 B13R2.654 COC1=CC2=C(C=NN2)C(=C1)F Z1198174750 [0,1,0,0,0,0|2,0,0]=3 160 B13R2.654 COC1=CC2=C(ON=C2)C(=C1)F Z1681382418 [0,1,0,0,0,0|3,0,0]=4 161 B13R2.654 O=CC1=CC(=C2N=CNC2=C1)F Z2311241124 [0,1,0,0,0,0|2,0,0]=3 162 B13R2.669 CN1C=CC2=C1C=C(C=C2)C=O Z1198180913 [0,1,0,0,0,0|3,0,0]=4 163 B13R2.669 CN1N=NC2=C1C=C(C=C2)C=O Z1486003430 [0,1,0,0,0,0|3,0,0]=4 164 B13R2.669 COC1=CC2=C(C=C1)CCC2N Z3234887230 [0,1,0,0,0,0|2,0,1]=4 165 B13R2.669 COC1=CC2=C(C=C1)CNC2=O Z1198176505 [0,1,0,0,0,0|3,0,0]=4 166 B13R2.669 COC1=CC2=C(C=C1)COB2O Z1255500698 [0,1,0,0,0,0|3,0,0]=4 167 B13R2.669 COC1=CC2=C(C=C1)NN=C2N Z1198276906 [0,1,0,0,0,0|2,0,1]=4 168 B13R2.669 COC1=CC2=C(C=C1)OCC2=O Z334863074 [0,1,0,0,0,0|2,0,1]=4 169 B13R2.669 COC1=NC2=C(C=C1)NC=C2I Z1269217997 [0,1,0,0,0,0|2,0,1]=4 170 B13R2.2121 CC1=CC2=C(N1)C=C(C=C2)C#N Z1198219270 [0,1,0,0,0,0|3,0,0]=4 171 B13R2.2121 CC1=NC2=C(O1)C=C(C=C2)C=O Z1322794612 [0,1,0,0,0,0|3,0,0]=4 172 B13R2.2121 CC1=NC2=C(S1)C=C(C=C2)C#N Z1255367248 [0,1,0,0,0,0|3,0,0]=4 173 B13R2.2121 CC1=NC2=C(S1)C=C(C=C2)C=O Z276151178 [0,1,0,0,0,0|3,0,0]=4 174 B13R2.2121 CC1=NC2=C(S1)C=C(C=C2)CO Z56823516 [0,1,0,0,0,0|3,0,0]=4 175 B13R2.2121 CCC1=CC2=C(C=C1)N=C(N2)O Z1766245361 [0,1,0,0,0,0|1,0,0]=2 176 B13R2.2121 CCC1=CC2=C(C=C1)N=C(S2)N Z56919761 [0,1,0,0,0,0|2,0,0]=3 177 B13R2.2121 CNC1=CC2=C(C=C1)N=C(S2)C Z1082871498 [0,1,0,0,0,0|2,0,0]=3 178 B13R2.2121 CNC1=CC2=C(C=C1)NC(=N2)C Z1403499839 [0,1,0,0,0,0|1,0,2]=4 179 B13R2.2121 COC1=CC2=C(C=C1)N=C(S2)C Z90123542 [0,1,0,0,0,0|1,0,0]=2 180 B13R2.2121 COC1=CC2=C(C=C1)N=C(S2)N Z56756338 [0,1,0,0,0,0|1,0,0]=2 181 B13R2.2121 COC1=CC2=C(C=C1)NC(=C2)C Z1197882538 [0,1,0,0,0,0|1,0,1]=3 182 B13R2.2121 COC1=CC2=C(C=C1)NC(=N2)C Z1587257377 [0,1,0,0,0,0|0,0,2]=3 183 B13R2.2121 COC1=CC2=C(C=C1)NC(=N2)N Z1198160975 [0,1,0,0,0,0|0,0,2]=3 184 B13R2.2121 COC1=CC2=C(C=C1)NC(=N2)S Z221604426 [0,1,0,0,0,0|0,0,2]=3 185 B13R2.2121 COC1=CC2=C(C=C1)NC(C2)C Z1255421552 [0,1,0,0,0,0|1,0,2]=4 186 B13R2.2121 COC1=CC2=C(C=C1)OC(=N2)N Z1255435333 [0,1,0,0,0,0|1,0,1]=3 187 B13R2.2121 COC1=NC2=C(C=C1)N=C(N2)S Z3234818548 [0,1,0,0,0,0|1,0,0]=2 188 B13R2.2121 COC1=NC2=C(C=C1)N=C(S2)S Z3244879314 [0,1,0,0,0,0|2,0,0]=3 189 B13R2.2121 COC1=NC=C2CC(=O)NC2=C1 Z1198180903 [0,1,0,0,0,0|2,0,0]=3 190 B13R2.2121 N#CC1=CC2=C(C=C1)CC(=O)N2 Z1201621656 [0,1,0,0,0,0|3,0,0]=4 191 B13R2.2121 N#CC1=CC2=C(C=C1)N=C(O2)N Z1862023191 [0,1,0,0,0,0|3,0,0]=4 192 B13R2.2121 N#CC1=CC2=C(C=C1)NC(=O)N2 Z1198169635 [0,1,0,0,0,0|2,0,1]=4 193 B13R2.2121 N#CC1=CC2=C(C=C1)OC(=O)N2 Z1255399985 [0,1,0,0,0,0|3,0,0]=4 194 B13R2.2121 N#CC1=CC2=C(C=C1)SC(=O)N2 Z1862024907 [0,1,0,0,0,0|3,0,0]=4 195 B13R2.2121 NC1=NC2=C(O1)C=C(C=C2)CO Z1262682792 [0,1,0,0,0,0|3,0,0]=4 196 B13R2.2121 NCC1=CC2=C(C=C1)OC(=O)N2 Z2753783365 [0,1,0,0,0,0|3,0,0]=4 197 B13R2.2121 O=CC1=CC2=C(C=C1)NC(=O)N2 Z385370012 [0,1,0,0,0,0|2,0,1]=4 198 B13R2.2130 COC1=CC2=C(C=C1)B(OC2)O Z1198279536 [0,1,0,0,0,0|3,0,0]=4 199 B13R2.2130 COC1=CC2=C(C=C1)C(=CN2)C Z1255420864 [0,1,0,0,0,0|1,0,0]=2 200 B13R2.2130 COC1=CC2=C(C=C1)C(=NO2)N Z1216820032 [0,1,0,0,0,0|3,0,0]=4 201 B13R2.2130 COC1=CC2=C(C=C1)C(=O)CC2 Z1203162378 [0,1,0,0,0,0|2,0,1]=4 202 B13R2.2130 COC1=CC2=C(C=C1)C(=O)CO2 Z1089974846 [0,1,0,0,0,0|2,0,1]=4 203 B13R2.2130 COC1=CC2=C(C=C1)C(=O)NC2 Z1198177422 [0,1,0,0,0,0|3,0,0]=4 204 B13R2.2130 COC1=CC2=C(C=C1)C(=O)NN2 Z2160914711 [0,1,0,0,0,0|2,0,0]=3 205 B13R2.2130 COC1=CC2=C(C=C1)C(=O)NO2 Z1255432717 [0,1,0,0,0,0|3,0,0]=4 206 B13R2.2130 COC1=CC2=NNC(=C2C=C1)N Z1889917114 [0,1,0,0,0,0|2,0,1]=4 207 B11R1.25 COC(=O)/C=C/C1=CC=CN1 Z1623872261 [0,0,1,0,0,0|2,0,1]=4 208 B11R1.25 COC(=O)/C=C/C1=CNC=N1 Z3069884419 [0,0,1,0,0,0|1,0,0]=2 209 B11R1.25 COC(=O)CCC1=CNC=N1 Z1250100623 [0,0,1,0,0,0|1,0,2]=4 210 B11R1.83 C/C=C/C1=CC=C(C=C1)OC Z2315575049 [0,0,1,0,0,0|2,0,0]=3 211 B11R1.83 CCC1=CC=C(C=C1)CCN Z285143808 [0,0,1,0,0,0|2,0,1]=4 212 B11R1.83 CCNC1=CC=C(C=C1)OC Z286371004 [0,0,1,0,0,0|1,0,2]=4 213 B11R1.83 CNCC1=CC=C(C=C1)OC Z56928625 [0,0,1,0,0,0|3,0,0]=4 214 B11R1.83 COC1=CC=C(C=C1)/C=N/O Z49568452 [0,0,1,0,0,0|3,0,0]=4 215 B11R1.83 COC1=CC=C(C=C1)CC#N Z104476452 [0,0,1,0,0,0|1,0,2]=4 216 B11R1.83 COC1=CC=C(C=C1)CC=O Z993017620 [0,0,1,0,0,0|2,0,0]=3 217 B11R1.83 COC1=CC=C(C=C1)CCN Z104476454 [0,0,1,0,0,0|1,0,1]=3 218 B11R1.83 COC1=CC=C(C=C1)N=C=S Z56921427 [0,0,1,0,0,0|1,0,1]=3 219 B11R1.83 CSC1=CC=C(C=C1)CC=O Z1198331627 [0,0,1,0,0,0|2,1,0]=4 220 B11R1.189 CCNC1=CC(=CC=C1)CC Z5510285279 [0,0,1,0,0,0|2,0,1]=4 221 B11R1.189 CCNC1=CC(=CC=C1)OC Z286367386 [0,0,1,0,0,0|1,0,1]=3 222 B11R1.189 CNCC1=CC(=CC=C1)OC Z56939284 [0,0,1,0,0,0|3,0,0]=4 223 B11R1.189 COC1=CC(=CC=C1)CC#N Z285184582 [0,0,1,0,0,0|1,0,2]=4 224 B11R1.189 COC1=CC(=CC=C1)CCN Z285143778 [0,0,1,0,0,0|1,0,2]=4 225 B11R1.189 COC1=CC(=CC=C1)N=C=S Z56899053 [0,0,1,0,0,0|1,0,2]=4 226 B11R1.279 C#CC1=C(C=C(C=C1)OC)Cl Z1862017872 [0,0,1,0,0,0|2,0,1]=4 227 B11R1.279 CCC1=CC(=C(C=C1)CC)N Z1276502928 [0,0,1,0,0,0|2,0,1]=4 228 B11R1.279 CCC1=CC(=C(C=C1)OC)N Z1209420082 [0,0,1,0,0,0|2,0,1]=4 229 B11R1.279 CNC1=C(C=C(C=C1)OC)I Z1878448486 [0,0,1,0,0,0|1,0,2]=4 230 B11R1.279 COC1=CC(=C(C=C1)C#N)F Z1160930711 [0,0,1,0,0,0|3,0,0]=4 231 B11R1.279 COC1=CC(=C(C=C1)C#N)N Z1198165398 [0,0,1,0,0,0|2,0,0]=3 232 B11R1.279 COC1=CC(=C(C=C1)C=O)Br Z1190318854 [0,0,1,0,0,0|3,0,0]=4 233 B11R1.279 COC1=CC(=C(C=C1)C=O)C Z385370020 [0,0,1,0,0,0|3,0,0]=4 234 B11R1.279 COC1=CC(=C(C=C1)C=O)Cl Z178955320 [0,0,1,0,0,0|3,0,0]=4 235 B11R1.279 COC1=CC(=C(C=C1)C=O)F Z1190318848 [0,0,1,0,0,0|3,0,0]=4 236 B11R1.279 COC1=CC(=C(C=C1)C=O)O Z188964138 [0,0,1,0,0,0|3,0,0]=4 237 B11R1.279 COC1=CC(=C(C=C1)CN)C Z1190318959 [0,0,1,0,0,0|3,0,0]=4 238 B11R1.279 COC1=CC(=C(C=C1)CN)Cl Z5510271229 [0,0,1,0,0,0|3,0,0]=4 239 B11R1.279 COC1=CC(=C(C=C1)CN)F Z1416282396 [0,0,1,0,0,0|3,0,0]=4 240 B11R1.279 COC1=CC(=C(C=C1)CN)O Z2472857389 [0,0,1,0,0,0|3,0,0]=4 241 B11R1.279 COC1=CC(=C(C=C1)OC)Br Z299596102 [0,0,1,0,0,0|2,0,1]=4 242 B11R1.279 COC1=CC(=C(C=C1)OC)N Z56973491 [0,0,1,0,0,0|1,0,1]=3 243 B11R1.280 C#CC1=C(C=CC(=C1)OC)Cl Z1080386020 [0,0,1,0,0,0|2,0,1]=4 244 B11R1.280 CCC1=C(C=CC(=C1)OC)Br Z1269109771 [0,0,1,0,0,0|2,0,1]=4 245 B11R1.280 CNC1=C(C=CC(=C1)OC)Br Z5989973729 [0,0,1,0,0,0|1,0,1]=3 246 B11R1.280 CNC1=CC(=C(C=C1)C)NC Z1463349151 [0,0,1,0,0,0|2,0,1]=4 247 B11R1.280 COC1=CC(=C(C=C1)Br)C#N Z963455460 [0,0,1,0,0,0|3,0,0]=4 248 B11R1.280 COC1=CC(=C(C=C1)Br)C=O Z1079442692 [0,0,1,0,0,0|3,0,0]=4 249 B11R1.280 COC1=CC(=C(C=C1)Br)CN Z451350504 [0,0,1,0,0,0|3,0,0]=4 250 B11R1.280 COC1=CC(=C(C=C1)Br)OC Z299596224 [0,0,1,0,0,0|2,0,1]=4 251 B11R1.280 COC1=CC(=C(C=C1)C)C=O Z1201626604 [0,0,1,0,0,0|3,0,0]=4 252 B11R1.280 COC1=CC(=C(C=C1)Cl)C=O Z1201625883 [0,0,1,0,0,0|3,0,0]=4 253 B11R1.280 COC1=CC(=C(C=C1)Cl)CN Z4754676571 [0,0,1,0,0,0|3,0,0]=4 254 B11R1.280 COC1=CC(=C(C=C1)Cl)CO Z1255492919 [0,0,1,0,0,0|3,0,0]=4 255 B11R1.280 COC1=CC(=C(C=C1)F)C=O Z1203161971 [0,0,1,0,0,0|3,0,0]=4 256 B11R1.280 COC1=CC(=C(C=C1)F)CN Z2526366648 [0,0,1,0,0,0|3,0,0]=4 257 B11R1.280 COC1=CC(=C(C=C1)I)C=O Z1269167723 [0,0,1,0,0,0|3,0,0]=4 258 B11R1.280 COC1=CC(=C(C=C1)N)OC Z104478344 [0,0,1,0,0,0|1,0,2]=4 259 B11R1.280 COC1=CC(=C(C=C1)O)C=O Z56899054 [0,0,1,0,0,0|3,0,0]=4 260 B11R1.280 COC1=CC(=C(C=C1)O)CN Z1268152343 [0,0,1,0,0,0|3,0,0]=4 261 B13R2.57 C#CC1=CC2=C(C=C1)C=NC=C2 Z1255366055 [0,0,0,0,0,1|2,0,1]=4 262 B13R2.57 C#CC1=CC2=C(C=C1)N=CC=C2 Z1080386002 [0,0,0,0,0,1|2,0,1]=4 263 B13R2.57 C=CC1=CC2=C(C=C1)N=CC=C2 Z3232453148 [0,0,0,0,0,1|2,0,1]=4 264 B13R2.57 CCC1=CC2=C(C=C1)CCNC2 Z368591544 [0,0,0,0,0,1|2,0,1]=4 265 B13R2.57 CNC1=CC2=C(C=C1)C=NC=C2 Z3688943453 [0,0,0,0,0,1|2,0,0]=3 266 B13R2.57 CNC1=CC2=C(C=CC=C2)C=C1 Z56346953 [0,0,0,0,0,1|3,0,0]=4 267 B13R2.57 COC1=CC2=C(C=C1)C=NC=C2 Z1201622861 [0,0,0,0,0,1|1,0,0]=2 268 B13R2.57 COC1=CC2=C(C=C1)C=NC=N2 Z1255402381 [0,0,0,0,0,1|0,0,1]=2 269 B13R2.57 COC1=CC2=C(C=C1)CCC=C2 Z1198179971 [0,0,0,0,0,1|2,0,0]=3 270 B13R2.57 COC1=CC2=C(C=C1)N=CC=C2 Z166628264 [0,0,0,0,0,1|1,0,0]=2 271 B13R2.57 COC1=CC2=C(C=C1)NCCC2 Z169918896 [0,0,0,0,0,1|1,0,2]=4 272 B13R2.57 COC1=CC2=C(C=CC=C2)C=C1 Z53835290 [0,0,0,0,0,1|2,0,0]=3 273 B13R2.57 COC1=CC2=C(C=CC=N2)C=C1 Z1198155589 [0,0,0,0,0,1|1,0,1]=3 274 B13R2.57 COC1=CC2=C(C=CN=C2)C=C1 Z839575220 [0,0,0,0,0,1|1,0,1]=3 275 B13R2.57 N#CC1=CC2=C(C=C1)C=NC=C2 Z1198267120 [0,0,0,0,0,1|3,0,0]=4 276 B13R2.57 N#CC1=CC2=C(C=C1)N=CC=C2 Z425452754 [0,0,0,0,0,1|3,0,0]=4 277 B13R2.57 N#CC1=CC2=C(C=C1)N=CC=N2 Z1079179206 [0,0,0,0,0,1|2,0,1]=4 278 B13R2.57 NCC1=CC2=C(C=C1)C=NC=C2 Z3244742531 [0,0,0,0,0,1|3,0,0]=4 279 B13R2.57 O=CC1=CC2=C(C=C1)C=NC=C2 Z1198168240 [0,0,0,0,0,1|3,0,0]=4 280 B13R2.57 O=CC1=CC2=C(C=C1)N=CC=C2 Z104479306 [0,0,0,0,0,1|3,0,0]=4 281 B13R2.57 O=CC1=CC2=C(C=C1)N=CC=N2 Z208191808 [0,0,0,0,0,1|2,0,1]=4 282 B13R2.57 OCC1=CC2=C(C=C1)N=CC=C2 Z431951974 [0,0,0,0,0,1|3,0,0]=4 283 B10R1.66 O=C(O)/C=C/C1=CNC=C1 Z1203733427 [1,0,1,0,0,0|2,0,0]=4 284 B10R1.66 O=C(O)/C=C/C1=CNC=N1 Z2942853595 [1,0,1,0,0,0|1,0,0]=3 285 B10R1.66 O=C(O)/C=C/C1=COC=N1 Z2633786305 [1,0,1,0,0,0|2,0,0]=4 286 B10R1.66 O=C(O)/C=C/C1=CSC=N1 Z381407308 [1,0,1,0,0,0|2,0,0]=4 287 B10R1.1 CC1=CC=C(C=C1)CC=O Z993017610 [1,0,1,0,0,0|2,0,0]=4 288 B10R1.1 CC1=CC=C(C=C1)CCN Z1268153218 [1,0,1,0,0,0|1,0,1]=4 289 B10R1.1 NCCC1=CC=C(C=C1)O Z744729058 [1,0,1,0,0,0|1,0,1]=4 290 B10R1.1 O=CNC1=CC=C(C=C1)O Z87002541 [1,0,1,0,0,0|1,0,1]=4 291 B10R1.3 CCC1=CC=C(C=C1)C=O Z104477712 [1,0,1,0,0,0|2,0,0]=4 292 B10R1.3 CCC1=CC=C(C=C1)CN Z239626560 [1,0,1,0,0,0|1,0,1]=4 293 B10R1.3 CNC1=CC=C(C=C1)C=O Z1203730934 [1,0,1,0,0,0|2,0,0]=4 294 B10R1.3 CNC1=CC=C(C=C1)CN Z954985428 [1,0,1,0,0,0|1,0,1]=4 295 B10R1.3 CNC1=CC=C(C=C1)OC Z335282780 [1,0,1,0,0,0|0,0,2]=4 296 B10R1.3 COC1=CC=C(C=C1)C#N Z53834531 [1,0,1,0,0,0|0,0,2]=4 297 B10R1.3 COC1=CC=C(C=C1)C=O Z53833125 [1,0,1,0,0,0|1,0,0]=3 298 B10R1.3 COC1=CC=C(C=C1)CO Z54603098 [1,0,1,0,0,0|1,0,1]=4 299 B10R1.3 COC1=CC=C(C=C1)CS Z1255360358 [1,0,1,0,0,0|1,0,1]=4 300 B10R1.3 COC1=CC=C(C=C1)OC Z53833835 [1,0,1,0,0,0|1,0,1]=4 301 B10R1.3 COC1=CN=C(C=C1)C=O Z1198176556 [1,0,1,0,0,0|2,0,0]=4 302 B10R1.3 COC1=NC=C(C=C1)C=O Z1255356725 [1,0,1,0,0,0|2,0,0]=4 303 B10R1.3 CSC1=CC=C(C=C1)C=O Z104478194 [1,0,1,0,0,0|1,1,0]=4 304 B10R1.3 CSC1=CC=C(C=C1)CN Z54751956 [1,0,1,0,0,0|0,1,1]=4 305 B10R1.10 C=COC1=CC=CC(=C1)C Z1269547004 [1,0,1,0,0,0|2,0,0]=4 306 B10R1.10 CCNC1=CC(=CC=C1)C Z56785946 [1,0,1,0,0,0|1,0,1]=4 307 B10R1.10 NC1=CC(=CC=C1)NC=O Z1203578959 [1,0,1,0,0,0|2,0,0]=4 308 B10R1.10 O=CNC1=CC=CC(=C1)O Z56886391 [1,0,1,0,0,0|1,0,0]=3 309 B10R1.172 CCC1=CC(=CC=C1)C=O Z1198218859 [1,0,1,0,0,0|2,0,0]=4 310 B10R1.172 CCC1=CC(=CC=C1)NC Z335280692 [1,0,1,0,0,0|1,0,1]=4 311 B10R1.172 CNC1=CC(=CC=C1)C=O Z1203829743 [1,0,1,0,0,0|2,0,0]=4 312 B10R1.172 CNC1=CC(=CC=C1)OC Z3013892520 [1,0,1,0,0,0|0,0,1]=3 313 B10R1.172 CNC1=CC(=CC=C1)SC Z335253758 [1,0,1,0,0,0|0,1,1]=4 314 B10R1.172 CNC1=NC(=CC=C1)OC Z104494274 [1,0,1,0,0,0|1,0,1]=4 315 B10R1.172 COC1=CC(=CC=C1)C=O Z53836050 [1,0,1,0,0,0|1,0,0]=3 316 B10R1.172 COC1=CC(=CC=C1)CCl Z104486106 [1,0,1,0,0,0|1,0,1]=4 317 B10R1.172 COC1=CC(=CC=C1)CO Z90121251 [1,0,1,0,0,0|1,0,1]=4 318 B10R1.172 COC1=CC(=CC=C1)NN Z94599902 [1,0,1,0,0,0|0,0,1]=3 319 B10R1.172 COC1=CC(=CN=C1)C=O Z1255365477 [1,0,1,0,0,0|2,0,0]=4 320 B10R1.172 COC1=CC(=NC=C1)C=O Z1198176555 [1,0,1,0,0,0|2,0,0]=4 321 B10R1.172 COC1=NC(=CC=C1)C=O Z1160906077 [1,0,1,0,0,0|2,0,0]=4 322 B10R1.172 CSC1=CC(=CC=C1)C=O Z1198235179 [1,0,1,0,0,0|1,1,0]=4 323 B10R1.25 CC1=CC(=C(C=C1)C=O)N Z1198276968 [1,0,1,0,0,0|2,0,0]=4 324 B10R1.25 CC1=CC(=C(C=C1)CN)N Z5524803288 [1,0,1,0,0,0|2,0,0]=4 325 B10R1.25 CC1=CC(=C(C=C1)CO)N Z1198176996 [1,0,1,0,0,0|2,0,0]=4 326 B10R1.25 CNC1=C(C=C(C=C1)C)N Z394648996 [1,0,1,0,0,0|0,0,2]=4 327 B10R1.25 COC1=C(C=C(C=C1)C)N Z104477476 [1,0,1,0,0,0|1,0,1]=4 328 B10R1.176 CCC1=CC(=C(C=C1)Br)N Z2753220544 [1,0,1,0,0,0|2,0,0]=4 329 B10R1.176 CCC1=CC(=C(C=C1)N)N Z1198311235 [1,0,1,0,0,0|1,0,1]=4 330 B10R1.176 CCC1=CC(=C(C=C1)O)N Z1318147478 [1,0,1,0,0,0|2,0,0]=4 331 B10R1.176 COC1=CC(=C(C=C1)Br)N Z406520438 [1,0,1,0,0,0|1,0,0]=3 332 B10R1.176 COC1=CC(=C(C=C1)C)N Z1203578033 [1,0,1,0,0,0|0,0,1]=3 333 B10R1.176 COC1=CC(=C(C=C1)C)O Z1255384359 [1,0,1,0,0,0|1,0,1]=4 334 B10R1.176 COC1=CC(=C(C=C1)Cl)C Z54850187 [1,0,1,0,0,0|1,0,1]=4 335 B10R1.176 COC1=CC(=C(C=C1)Cl)N Z1259341039 [1,0,1,0,0,0|1,0,0]=3 336 B10R1.176 COC1=CC(=C(C=C1)F)Br Z1269188737 [1,0,1,0,0,0|2,0,0]=4 337 B10R1.176 COC1=CC(=C(C=C1)F)N Z1198319952 [1,0,1,0,0,0|1,0,0]=3 338 B10R1.176 COC1=CC(=C(C=C1)I)C Z1269244593 [1,0,1,0,0,0|1,0,1]=4 339 B10R1.176 COC1=CC(=C(C=C1)N)Br Z425366392 [1,0,1,0,0,0|1,0,1]=4 340 B10R1.176 COC1=CC(=C(C=C1)N)C Z239604794 [1,0,1,0,0,0|0,0,2]=4 341 B10R1.176 COC1=CC(=C(C=C1)N)Cl Z425366376 [1,0,1,0,0,0|1,0,1]=4 342 B10R1.176 COC1=CC(=C(C=C1)N)F Z425366382 [1,0,1,0,0,0|1,0,1]=4 343 B10R1.176 COC1=CC(=C(C=C1)N)I Z1868316833 [1,0,1,0,0,0|1,0,1]=4 344 B10R1.176 COC1=CC(=C(C=C1)O)C Z1198310476 [1,0,1,0,0,0|1,0,1]=4 345 B10R1.176 COC1=CC(=C(C=C1)O)N Z57727878 [1,0,1,0,0,0|1,0,0]=3 346 B10R1.176 COC1=NC(=C(C=C1)N)N Z1198169423 [1,0,1,0,0,0|1,0,1]=4 347 B10R1.176 COC1=NC=C(C(=C1)N)Cl Z3690357349 [1,0,1,0,0,0|2,0,0]=4 348 B10R1.176 CSC1=CC(=C(C=C1)C)N Z1037567098 [1,0,1,0,0,0|0,1,1]=4 349 B10R1.176 CSC1=CC(=C(C=C1)Cl)N Z2507870687 [1,0,1,0,0,0|1,1,0]=4 350 B10R1.30 CC1=CC(=C(C=C1)C)NN Z56955505 [1,0,1,0,0,0|2,0,0]=4 351 B10R1.30 CNC1=C(C=CC(=C1)C)C Z752370986 [1,0,1,0,0,0|1,0,1]=4 352 B10R2.7 C1=CC2=C(C=C1)CC=C2 Z104476162 [2,0,0,0,0,0|2,0,0]=4 353 B10R2.7 C1=CC2=C(C=C1)N=[Se]=N2 Z56941035 [2,0,0,0,0,0|1,0,1]=4 354 B10R2.7 C1=CC2=C(C=C1)NC=C2 Z57833933 [2,0,0,0,0,0|1,0,0]=3 355 B10R2.7 C1=CC2=C(C=C1)NC=N2 Z57069879 [2,0,0,0,0,0|0,0,0]=2 356 B10R2.7 C1=CC2=C(C=C1)NCC2 Z104475582 [2,0,0,0,0,0|1,0,1]=4 357 B10R2.7 C1=CC2=C(C=C1)NN=C2 Z276614452 [2,0,0,0,0,0|2,0,0]=4 358 B10R2.7 C1=CC2=C(C=C1)NN=N2 Z57127352 [2,0,0,0,0,0|1,0,0]=3 359 B10R2.7 C1=CC2=C(C=C1)OC=C2 Z56347207 [2,0,0,0,0,0|2,0,0]=4 360 B10R2.7 C1=CC2=C(C=C1)SC=C2 Z370711590 [2,0,0,0,0,0|2,0,0]=4 361 B10R2.7 C1=CC2=C(C=C1)SC=N2 Z104472964 [2,0,0,0,0,0|1,0,0]=3 362 B10R2.7 C1=CC2=C(C=C1)SN=N2 Z1198148806 [2,0,0,0,0,0|2,0,0]=4 363 B10R2.7 C1=CC2=C(C=CN2)C=N1 Z1079456082 [2,0,0,0,0,0|2,0,0]=4 364 B10R2.7 C1=CC2=C(C=N1)NC=C2 Z871773918 [2,0,0,0,0,0|2,0,0]=4 365 B10R2.7 C1=CC2=C(C=N1)NC=N2 Z1117890443 [2,0,0,0,0,0|1,0,0]=3 366 B10R2.7 C1=CC2=C(N=C1)NC=C2 Z271099378 [2,0,0,0,0,0|2,0,0]=4 367 B10R2.7 C1=CC2=C(N=C1)NC=N2 Z276130126 [2,0,0,0,0,0|1,0,0]=3 368 B10R2.7 C1=CC2=C(N=C1)NN=N2 Z3235024586 [2,0,0,0,0,0|2,0,0]=4 369 B10R2.7 C1=CC2=NC=CN2C=C1 Z838912682 [2,0,0,0,0,0|2,0,0]=4 370 B10R2.7 C1=CC2=NC=NN2C=C1 Z1198163032 [2,0,0,0,0,0|1,0,1]=4 371 B10R2.7 C1=CC2=NSN=C2C=C1 Z56893124 [2,0,0,0,0,0|1,0,1]=4 372 B10R2.7 C1=CNC2=CC=NC2=C1 Z1925930568 [2,0,0,0,0,0|2,0,0]=4 373 B10R2.7 C1=NC2=C(N=C1)NC=N2 Z1198180623 [2,0,0,0,0,0|2,0,0]=4 374 B10R2.7 C1=NC=C2N=NNC2=C1 Z56777354 [2,0,0,0,0,0|2,0,0]=4 375 B10R2.7 C1=NC=NC2=C1NC=N2 Z1203730725 [2,0,0,0,0,0|2,0,0]=4 376 B12R1.4 CCC1=CC=C(C=C1)NC(=S)N Z271134316 [0,1,1,0,0,0|1,0,1]=4 377 B12R1.4 COC1=CC=C(C=C1)CC(=O)N Z33546648 [0,1,1,0,0,0|1,0,0]=3 378 B12R1.4 COC1=CC=C(C=C1)CC(=O)O Z104476074 [0,1,1,0,0,0|2,0,0]=4 379 B12R1.4 COC1=CC=C(C=C1)NC(=N)N Z118438372 [0,1,1,0,0,0|0,0,1]=3 380 B12R1.4 COC1=CC=C(C=C1)NC(=O)C Z28138902 [0,1,1,0,0,0|1,0,1]=4 381 B12R1.4 COC1=CC=C(C=C1)NC(=O)N Z56754681 [0,1,1,0,0,0|0,0,1]=3 382 B12R1.4 COC1=CC=C(C=C1)NC(=S)N Z56921428 [0,1,1,0,0,0|0,0,1]=3 383 B12R1.4 COC1=CC=C(C=C1)OC(=O)C Z30195429 [0,1,1,0,0,0|2,0,0]=4 384 B12R1.5 COC1=CC=C(C=C1)C(=O)NN Z57199662 [0,1,1,0,0,0|2,0,0]=4 385 B12R1.5 COC1=CC=C(C=C1)C(C)C=O Z1255380175 [0,1,1,0,0,0|2,0,0]=4 386 B12R1.5 COC1=CC=C(C=C1)[C@H](C)C=O Z1511751525 [0,1,1,0,0,0|2,0,0]=4 387 B12R1.71 COC1=CC=C(C=C1)CCC=O Z1079442590 [0,1,1,0,0,0|2,0,0]=4 388 B12R1.71 COC1=CC=C(C=C1)CCCN Z291234224 [0,1,1,0,0,0|1,0,1]=4 389 B12R1.71 COC1=CC=C(C=C1)CCNN Z2327071096 [0,1,1,0,0,0|1,0,1]=4 390 B12R1.71 COC1=CC=C(C=C1)CN=C=S Z104482850 [0,1,1,0,0,0|1,0,1]=4 391 B12R1.71 COC1=CC=C(C=C1)OCCN Z54845983 [0,1,1,0,0,0|1,0,1]=4 392 B12R1.71 COC1=CC=C(C=C1)SCC=O Z854102788 [0,1,1,0,0,0|2,0,0]=4 393 B12R1.114 COC1=CC(=C(C=C1)CC=O)C Z1198313230 [0,1,1,0,0,0|2,0,0]=4 394 B12R1.114 COC1=CC(=C(C=C1)CCN)Cl Z1198183309 [0,1,1,0,0,0|1,0,1]=4 395 B12R1.288 COC1=C(C=C(C=C1)CCN)Br Z5122698103 [0,1,1,0,0,0|1,0,1]=4 396 B12R1.288 COC1=C(C=C(C=C1)CCN)Cl Z3295464152 [0,1,1,0,0,0|1,0,1]=4 397 B12R1.288 COC1=C(C=C(C=C1)CCN)F Z382820754 [0,1,1,0,0,0|1,0,1]=4 398 B12R1.270 C=CCC1=C(C=CC(=C1)OC)O Z57046211 [0,1,1,0,0,0|2,0,0]=4 399 B12R1.286 C/C=C/C1=CC(=C(C=C1)O)OC Z57953030 [0,1,1,0,0,0|2,0,0]=4 400 B12R1.286 C=CCC1=CC(=C(C=C1)O)OC Z56347226 [0,1,1,0,0,0|2,0,0]=4 401 B12R1.382 COC1=CC(=CC=C1)CCC=O Z993017768 [0,1,1,0,0,0|2,0,0]=4 402 B12R1.435 COC1=CC(=CC=C1)C(C)C=O Z1255385344 [0,1,1,0,0,0|2,0,0]=4 403 B12R1.438 CCC1=CC(=CC=C1)NC(=N)N Z2518173555 [0,1,1,0,0,0|1,0,0]=3 404 B12R1.438 CCC1=CC(=CC=C1)NC(=S)N Z271134332 [0,1,1,0,0,0|1,0,1]=4 405 B12R1.438 COC1=CC(=CC=C1)CC(=N)N Z951367838 [0,1,1,0,0,0|1,0,0]=3 406 B12R1.438 COC1=CC(=CC=C1)CC(=O)N Z33547068 [0,1,1,0,0,0|1,0,1]=4 407 B12R1.438 COC1=CC(=CC=C1)CC(=O)O Z104478986 [0,1,1,0,0,0|2,0,0]=4 408 B12R1.438 COC1=CC(=CC=C1)NC(=O)C Z27795266 [0,1,1,0,0,0|1,0,0]=3 409 B12R1.438 COC1=CC(=CC=C1)NC(=S)N Z56913186 [0,1,1,0,0,0|0,0,1]=3 410 B12R1.78 CNC1=C(C=CC(=C1)OC)OC Z335266076 [0,1,1,0,0,0|1,0,1]=4 411 B12R1.78 COC1=CC(=C(C=C1)OC)CN Z285139178 [0,1,1,0,0,0|1,0,1]=4 412 B12R1.450 COC1=CC(=C(C=C1Br)OC)N Z1416179328 [0,1,1,0,0,0|1,0,1]=4 413 B12R1.452 COC1=CC(=C(C=C1)C(=O)C)N Z1198165201 [0,1,1,0,0,0|1,0,1]=4 414 B12R1.452 COC1=CC(=C(C=C1)C(=O)O)N Z367452116 [0,1,1,0,0,0|2,0,0]=4 415 B12R1.452 COC1=CC(=C(C=C1)[N+](=O)[O-])N Z111691250 [0,1,1,0,0,0|1,0,1]=4 416 B12R2.82 CC1=C(C2=C(C=C1)CCN2)Br Z4966512463 [1,1,0,0,0,0|1,0,1]=4 417 B12R2.82 CC1=C(C2=C(C=C1)N=CN2)N Z1198223772 [1,1,0,0,0,0|0,0,0]=2 418 B12R2.82 CC1=C(C2=C(C=C1)NC=N2)C Z1203731927 [1,1,0,0,0,0|0,0,2]=4 419 B12R2.82 CC1=C(C2=C(C=CN2)C=C1)Br Z1551923928 [1,1,0,0,0,0|1,0,0]=3 420 B12R2.82 CC1=C(C2=C(C=CN2)C=C1)F Z1486007518 [1,1,0,0,0,0|1,0,0]=3 421 B12R2.82 CC1=C(C2=CC=NN2C=C1)Br Z1681374921 [1,1,0,0,0,0|2,0,0]=4 422 B12R2.82 CC1=C(C2=NC=NN2C=C1)N Z1255420494 [1,1,0,0,0,0|1,0,1]=4 423 B12R2.82 CC1=C(C2=NON=C2C=C1)Br Z3884402894 [1,1,0,0,0,0|1,0,1]=4 424 B12R2.82 CC1=C(C2=NON=C2C=C1)N Z3766096419 [1,1,0,0,0,0|1,0,1]=4 425 B12R2.82 CC1=C(C2=NSN=C2C=C1)Br Z2306756275 [1,1,0,0,0,0|1,0,1]=4 426 B12R2.82 CC1=C(C2=NSN=C2C=C1)N Z57441620 [1,1,0,0,0,0|1,0,1]=4 427 B12R2.82 CC1=C2NC=CC2=CC=C1Br Z1269148523 [1,1,0,0,0,0|2,0,0]=4 428 B12R2.82 CC1=C2NC=CC2=CC=C1F Z1198182497 [1,1,0,0,0,0|2,0,0]=4 429 B12R2.82 CC1=C2OC=NC2=CC=C1O Z3243446285 [1,1,0,0,0,0|1,0,0]=3 430 B12R2.82 CN1C=CC2=C(C1=O)NC=C2 Z1203734446 [1,1,0,0,0,0|2,0,0]=4 431 B12R2.82 FC1=C2NC=CC2=CC=C1Cl Z1255416961 [1,1,0,0,0,0|2,0,0]=4 432 B12R2.82 FC1=C2NN=NC2=CC=C1Br Z3300727667 [1,1,0,0,0,0|2,0,0]=4 433 B12R2.82 FC1=C2OC=NC2=CC=C1Br Z1862021518 [1,1,0,0,0,0|2,0,0]=4 434 B12R2.82 NC1=C(C2=C(C=C1)N=CS2)Br Z1269244230 [1,1,0,0,0,0|2,0,0]=4 435 B12R2.82 NC1=C(C2=C(C=C1)N=CS2)N Z3098832159 [1,1,0,0,0,0|2,0,0]=4 436 B12R2.82 OC1=C(C2=C(C=C1)SC=C2)Br Z3243494650 [1,1,0,0,0,0|2,0,0]=4 437 B12R2.82 OC1=C(C2=C(C=C1)SC=C2)Cl Z1513914425 [1,1,0,0,0,0|2,0,0]=4 438 B12R2.100 BrC1=C(C=C2NC=CC2=C1)Br Z1269152356 [1,1,0,0,0,0|2,0,0]=4 439 B12R2.100 BrC1=C(C=C2NC=NC2=C1)Br Z3234801863 [1,1,0,0,0,0|1,0,0]=3 440 B12R2.100 BrC1=C(C=C2NN=NC2=C1)Br Z1269218714 [1,1,0,0,0,0|2,0,0]=4 441 B12R2.100 CC1=C(C=C2C=NNC2=C1)Br Z1269177424 [1,1,0,0,0,0|2,0,0]=4 442 B12R2.100 CC1=C(C=C2C=NNC2=C1)N Z1201622161 [1,1,0,0,0,0|2,0,0]=4 443 B12R2.100 CC1=C(C=C2C=NNC2=C1)O Z1198181921 [1,1,0,0,0,0|2,0,0]=4 444 B12R2.100 CC1=C(C=C2N=CNC2=N1)Br Z277557456 [1,1,0,0,0,0|1,0,0]=3 445 B12R2.100 CC1=C(C=C2N=CSC2=C1)Br Z3300754374 [1,1,0,0,0,0|1,0,0]=3 446 B12R2.100 CC1=C(C=C2NC=CC2=C1)C Z1198330837 [1,1,0,0,0,0|1,0,0]=3 447 B12R2.100 CC1=C(C=C2NC=CC2=C1)F Z1203748049 [1,1,0,0,0,0|1,0,1]=4 448 B12R2.100 CC1=C(C=C2NC=NC2=C1)C Z55928828 [1,1,0,0,0,0|0,0,0]=2 449 B12R2.100 CC1=C(C=C2NCCC2=C1)C Z1203734724 [1,1,0,0,0,0|1,0,1]=4 450 B12R2.100 CC1=CC2=CC=NN2C=C1Br Z1269172473 [1,1,0,0,0,0|2,0,0]=4 451 B12R2.100 ClC1=C(C=C2C=CNC2=C1)Br Z1269179223 [1,1,0,0,0,0|2,0,0]=4 452 B12R2.100 ClC1=C(C=C2NC=CC2=C1)Br Z1269225967 [1,1,0,0,0,0|2,0,0]=4 453 B12R2.100 ClC1=C(C=C2NC=CC2=C1)Cl Z1201620800 [1,1,0,0,0,0|2,0,0]=4 454 B12R2.100 ClC1=C(C=C2NC=NC2=C1)Br Z1551930830 [1,1,0,0,0,0|1,0,0]=3 455 B12R2.100 ClC1=C(C=C2NC=NC2=C1)Cl Z2941518564 [1,1,0,0,0,0|1,0,0]=3 456 B12R2.100 ClC1=C(C=C2NN=NC2=C1)Cl Z1251354024 [1,1,0,0,0,0|2,0,0]=4 457 B12R2.100 FC1=C(C=C2C=CNC2=C1)Br Z1269189958 [1,1,0,0,0,0|2,0,0]=4 458 B12R2.100 FC1=C(C=C2C=CNC2=C1)Cl Z1201620785 [1,1,0,0,0,0|2,0,0]=4 459 B12R2.100 FC1=C(C=C2NC=CC2=C1)F Z1201620806 [1,1,0,0,0,0|2,0,0]=4 460 B12R2.100 NC1=C(C=C2N=CNC2=C1)F Z3670392749 [1,1,0,0,0,0|1,0,0]=3 461 B12R2.100 NC1=C(C=C2N=NNC2=C1)F Z3463125206 [1,1,0,0,0,0|2,0,0]=4 462 B12R2.132 CN1C=CC2=C1C=C(C=C2)Br Z1269186749 [1,1,0,0,0,0|2,0,0]=4 463 B12R2.132 CN1C=CC2=C1C=C(C=C2)N Z414315292 [1,1,0,0,0,0|2,0,0]=4 464 B12R2.132 CN1C=CC2=C1C=C(C=C2)O Z1255447420 [1,1,0,0,0,0|1,0,0]=3 465 B12R2.132 CN1C=NC2=C1C=C(C=C2)Br Z1269128394 [1,1,0,0,0,0|1,0,0]=3 466 B12R2.132 CN1C=NC2=C1C=C(C=C2)N Z2935001169 [1,1,0,0,0,0|1,0,0]=3 467 B12R2.132 CN1N=NC2=C1C=C(C=C2)O Z4966740129 [1,1,0,0,0,0|1,0,0]=3 468 B12R2.132 OC1=CC2=C(C=C1)OC=C2O Z1216838816 [1,1,0,0,0,0|2,0,0]=4 469 B12R2.132 OC1=CC2=C(C=C1)SC=C2Br Z1269146168 [1,1,0,0,0,0|2,0,0]=4 470 B12R2.132 ON1N=NC2=C1C=C(C=C2)Cl Z56917366 [1,1,0,0,0,0|2,0,0]=4 471 B12R2.246 CC1=C2N=CNC2=CC(=C1)O Z1509345768 [1,1,0,0,0,0|0,0,0]=2 472 B12R2.246 CC1=C2N=CSC2=CC(=C1)Br Z2310185368 [1,1,0,0,0,0|2,0,0]=4 473 B12R2.246 CC1=C2NC=CC2=CC(=C1)O Z1203832444 [1,1,0,0,0,0|1,0,1]=4 474 B12R2.246 CC1=CC(=C2CCNC2=C1)C Z259726288 [1,1,0,0,0,0|1,0,1]=4 475 B12R2.246 CC1=CC(=O)N2N=CNC2=C1 Z96091872 [1,1,0,0,0,0|1,0,0]=3 476 B12R2.246 CC1=CC2=C(NC=C2)C(=C1)F Z1203748018 [1,1,0,0,0,0|1,0,1]=4 477 B12R2.246 CC1=CC2=C(NC=N2)C(=C1)N Z1551929441 [1,1,0,0,0,0|0,0,2]=4 478 B12R2.246 CC1=CC2=C(OC=C2)C(=C1)Br Z1269228041 [1,1,0,0,0,0|2,0,0]=4 479 B12R2.246 CC1=CC2=NC=NN2C(=C1)Cl Z169916356 [1,1,0,0,0,0|1,0,1]=4 480 B12R2.246 CC1=CN2C=CN=C2C(=C1)Br Z2601737848 [1,1,0,0,0,0|2,0,0]=4 481 B12R2.246 CC1=NC2=C(N=CN2)C(=N1)Cl Z1255372839 [1,1,0,0,0,0|2,0,0]=4 482 B12R2.246 ClC1=CC2=C(C=CN2)C(=C1)Cl Z1198161528 [1,1,0,0,0,0|2,0,0]=4 483 B12R2.246 ClC1=CC2=C(N=CN2)C(=C1)Br Z2010010281 [1,1,0,0,0,0|1,0,0]=3 484 B12R2.246 FC1=C2C=CNC2=CC(=C1)Br Z1269127261 [1,1,0,0,0,0|2,0,0]=4 485 B12R2.246 FC1=CC2=C(N=CN2)C(=C1)Br Z1269188802 [1,1,0,0,0,0|1,0,0]=3 486 B12R2.246 NC1=C2C=NNC2=CC(=C1)O Z1198174597 [1,1,0,0,0,0|2,0,0]=4 487 B12R2.606 CC1=CC2=C(C=C1)N=C(N2)N Z995046368 [1,1,0,0,0,0|0,0,0]=2 488 B12R2.606 CC1=CC2=C(C=C1)N=C(O2)N Z979487656 [1,1,0,0,0,0|1,0,0]=3 489 B12R2.606 CC1=CC2=C(C=C1)N=C(S2)N Z57069881 [1,1,0,0,0,0|1,0,0]=3 490 B12R2.606 CC1=CC2=C(C=C1)NC(=N)C2 Z4603464626 [1,1,0,0,0,0|1,0,1]=4 491 B12R2.606 CC1=CC2=C(C=C1)NC(=N2)C Z57370047 [1,1,0,0,0,0|0,0,2]=4 492 B12R2.606 CC1=CC2=C(C=C1)NC(=N2)S Z57298378 [1,1,0,0,0,0|0,0,2]=4 493 B12R2.606 CC1=CC2=C(C=C1)OC(=N2)S Z56864608 [1,1,0,0,0,0|1,0,1]=4 494 B12R2.606 CC1=CC2=C(C=C1)OC(=O)N2 Z274568258 [1,1,0,0,0,0|1,0,0]=3 495 B12R2.606 CC1=CC2=C(C=C1)SC(=N2)S Z1198307587 [1,1,0,0,0,0|1,0,1]=4 496 B12R2.606 CC1=CC2=C(N1)C=C(C=C2)Br Z1269196919 [1,1,0,0,0,0|2,0,0]=4 497 B12R2.606 CC1=CC2=C(N1)C=C(C=C2)F Z1201624894 [1,1,0,0,0,0|2,0,0]=4 498 B12R2.606 CC1=CC2=C(N1)C=CC(=C2)O Z1198147837 [1,1,0,0,0,0|1,0,1]=4 499 B12R2.606 CC1=NC2=C(C=C1)N=C(S2)N Z1255451121 [1,1,0,0,0,0|2,0,0]=4 500 B12R2.606 CC1=NC2=C(N1)C=C(C=N2)Br Z1250132320 [1,1,0,0,0,0|2,0,0]=4 501 B12R2.606 CC1=NC2=C(N1)C=CC(=C2)O Z1255462447 [1,1,0,0,0,0|0,0,2]=4 502 B12R2.606 CC1=NC2=C(N1)N=C(C=C2)N Z4452212765 [1,1,0,0,0,0|2,0,0]=4 503 B12R2.606 CC1=NC2=C(O1)C=C(C=C2)N Z235353833 [1,1,0,0,0,0|2,0,0]=4 504 B12R2.606 CC1=NC2=C(O1)C=C(C=C2)O Z1201620245 [1,1,0,0,0,0|1,0,0]=3 505 B12R2.606 CC1=NC2=C(S1)C=C(C=C2)N Z56896242 [1,1,0,0,0,0|2,0,0]=4 506 B12R2.606 CC1=NC2=C(S1)C=CC(=C2)O Z1203159861 [1,1,0,0,0,0|1,0,1]=4 507 B12R2.606 CN1C=C2C=C(C=CC2=N1)O Z1198343475 [1,1,0,0,0,0|2,0,0]=4 508 B12R2.606 FC1=CC2=C(C=C1)N=C(O2)S Z1147226283 [1,1,0,0,0,0|2,0,0]=4 509 B12R2.606 FC1=CC2=C(C=C1)N=C(S2)S Z1201620440 [1,1,0,0,0,0|2,0,0]=4 510 B12R2.606 N=C1OC2=C(S1)C=C(C=C2)O Z1513863695 [1,1,0,0,0,0|2,0,0]=4 511 B12R2.606 NC1=CC2=C(C=C1)CC(=O)N2 Z2805701617 [1,1,0,0,0,0|2,0,0]=4 512 B12R2.606 NC1=CC2=C(C=C1)N=C(O2)S Z1198180819 [1,1,0,0,0,0|2,0,0]=4 513 B12R2.606 NC1=CC2=C(C=C1)N=C(S2)Cl Z57160346 [1,1,0,0,0,0|2,0,0]=4 514 B12R2.606 NC1=CC2=C(C=C1)N=C(S2)N Z2289761601 [1,1,0,0,0,0|2,0,0]=4 515 B12R2.606 NC1=CC2=C(C=C1)NC(=O)N2 Z56793257 [1,1,0,0,0,0|1,0,1]=4 516 B12R2.606 NC1=CC2=C(C=C1)OC(=O)N2 Z56944506 [1,1,0,0,0,0|2,0,0]=4 517 B12R2.606 NC1=NC2=C(N1)C=C(C=N2)Br Z2218555937 [1,1,0,0,0,0|2,0,0]=4 518 B12R2.606 NC1=NC2=C(O1)C=C(C=C2)Br Z1269173847 [1,1,0,0,0,0|2,0,0]=4 519 B12R2.606 NC1=NC2=C(O1)C=C(C=C2)F Z1147226282 [1,1,0,0,0,0|2,0,0]=4 520 B12R2.606 NC1=NC2=C(S1)C=C(C=C2)Br Z56858257 [1,1,0,0,0,0|2,0,0]=4 521 B12R2.606 NC1=NC2=C(S1)C=C(C=C2)Cl Z56896352 [1,1,0,0,0,0|2,0,0]=4 522 B12R2.606 NC1=NC2=C(S1)C=C(C=C2)F Z56899125 [1,1,0,0,0,0|2,0,0]=4 523 B12R2.606 NC1=NC2=C(S1)C=C(C=C2)I Z1741785969 [1,1,0,0,0,0|2,0,0]=4 524 B12R2.606 NC1=NC2=C(S1)C=CC(=C2)O Z1198155943 [1,1,0,0,0,0|1,0,1]=4 525 B12R2.606 NC1=NC2=C(S1)N=C(C=C2)O Z3324768322 [1,1,0,0,0,0|2,0,0]=4 526 B12R2.606 O=C1CC2=C(N1)C=C(C=C2)Cl Z56922083 [1,1,0,0,0,0|2,0,0]=4 527 B12R2.606 O=C1CC2=C(N1)C=CC(=C2)O Z1198147431 [1,1,0,0,0,0|1,0,1]=4 528 B12R2.606 O=C1NC2=C(N1)C=C(C=C2)F Z1198165756 [1,1,0,0,0,0|1,0,1]=4 529 B12R2.606 O=C1NC2=C(O1)C=CC(=C2)Br Z979488024 [1,1,0,0,0,0|2,0,0]=4 530 B12R2.606 O=C1NC2=C(O1)C=CC(=C2)Cl Z57183224 [1,1,0,0,0,0|2,0,0]=4 531 B12R2.606 O=C1NC2=C(O1)C=CC(=C2)F Z979487984 [1,1,0,0,0,0|2,0,0]=4 532 B12R2.606 O=C1NC2=C(O1)C=CC(=C2)O Z1198314975 [1,1,0,0,0,0|1,0,0]=3 533 B12R2.606 O=C1NC2=C(S1)C=CC(=C2)F Z1198222395 [1,1,0,0,0,0|2,0,0]=4 534 B12R2.606 O=C1OC2=C(O1)C=C(C=C2)O Z1198726972 [1,1,0,0,0,0|2,0,0]=4 535 B12R2.606 O=C1OC2=C(S1)C=C(C=C2)O Z56801267 [1,1,0,0,0,0|2,0,0]=4 536 B12R2.606 O=C1OC2=C(S1)C=CC(=C2)O Z104483034 [1,1,0,0,0,0|2,0,0]=4 537 B12R2.606 SC1=NC2=C(N1)C=C(C=C2)Cl Z56921384 [1,1,0,0,0,0|1,0,0]=3 538 B12R2.606 SC1=NC2=C(O1)C=C(C=C2)Cl Z56969312 [1,1,0,0,0,0|2,0,0]=4 539 B12R2.612 CC1=CC2=C(C=C1)C(=CN2)C Z1203732482 [1,1,0,0,0,0|1,0,0]=3 540 B12R2.612 CC1=CNC2=C1C=CC(=C2)Cl Z1255439930 [1,1,0,0,0,0|2,0,0]=4 541 B12R2.612 CC1=CNC2=C1C=CC(=C2)O Z1203731448 [1,1,0,0,0,0|1,0,0]=3 542 B12R2.612 CN1C=NC2=C1C=CC(=C2)O Z275242686 [1,1,0,0,0,0|0,0,2]=4 543 B12R2.612 ClC1=CC2=C(C=C1)C(=CN2)I Z1269185626 [1,1,0,0,0,0|2,0,0]=4 544 B14R2.92 CNC1=C(C2=C(C=C1)N=CC=C2)N Z3034662156 [0,1,0,0,0,1|2,0,0]=4 545 B14R2.92 COC1=C(C2=C(C=C1)CCNC2)Br Z4911721514 [0,1,0,0,0,1|1,0,1]=4 546 B14R2.92 COC1=C(C2=C(C=C1)N=CC=C2)Br Z1278927376 [0,1,0,0,0,1|1,0,0]=3 547 B14R2.92 COC1=C(C2=C(C=C1)N=CC=C2)N Z449372514 [0,1,0,0,0,1|1,0,0]=3 548 B14R2.92 COC1=C(C2=C(C=CC=C2)C=C1)I Z1269120774 [0,1,0,0,0,1|2,0,0]=4 549 B14R2.92 COC1=C(C2=C(C=CC=N2)C=C1)Br Z1269203738 [0,1,0,0,0,1|1,0,1]=4 550 B14R2.92 COC1=C(C2=C(C=CN=C2)C=C1)Br Z1269230183 [0,1,0,0,0,1|1,0,1]=4 551 B14R2.92 COC1=C(C2=C(C=CN=C2)C=C1)N Z1216816571 [0,1,0,0,0,1|1,0,1]=4 552 B14R2.112 CCOC1=CC2=C(C=C1)CCNC2 Z969559962 [0,1,0,0,0,1|1,0,1]=4 553 B14R2.112 CCOC1=CC2=C(C=CC=C2)C=C1 Z53835291 [0,1,0,0,0,1|2,0,0]=4 554 B14R2.134 COC1=CC2=C(C=C1)CCC(=O)C2 Z1255485170 [0,1,0,0,0,1|2,0,0]=4 555 B14R2.134 COC1=CC2=C(C=C1)CCC(=O)N2 Z1255498178 [0,1,0,0,0,1|1,0,0]=3 556 B14R2.134 COC1=CC2=C(C=C1)N=CC(=C2)I Z1269232895 [0,1,0,0,0,1|1,0,0]=3 557 B14R2.134 COC1=CC2=C(C=C1)OCC(=O)N2 Z1198176733 [0,1,0,0,0,1|1,0,0]=3 558 B14R2.134 COC1=CC2=C(C=CC(=O)O2)C=C1 Z53852417 [0,1,0,0,0,1|2,0,0]=4 559 B14R2.142 COC1=CC2=C(C=C1)C=NN=C2Cl Z1255392379 [0,1,0,0,0,1|2,0,0]=4 560 B14R2.142 COC1=CC2=C(C=C1)CCNC2=O Z1198164326 [0,1,0,0,0,1|1,0,1]=4 561 B14R2.142 COC1=CC2=C(C=C1)N=CC=C2Cl Z431511590 [0,1,0,0,0,1|1,0,0]=3 562 B14R2.142 COC1=CC2=C(C=C1)N=CC=C2N Z4875543689 [0,1,0,0,0,1|1,0,0]=3 563 B14R2.142 COC1=CC2=C(C=C1)N=CC=C2O Z1198147445 [0,1,0,0,0,1|1,0,0]=3 564 B14R2.142 COC1=CC2=C(C=C1)N=CN=C2Cl Z1082223882 [0,1,0,0,0,1|0,0,1]=3 565 B14R2.142 COC1=CC2=C(C=C1)NC=NC2=O Z1198165600 [0,1,0,0,0,1|0,0,2]=4 566 B14R2.142 COC1=CC2=C(C=CC=C2N)C=C1 Z1198176740 [0,1,0,0,0,1|2,0,0]=4 567 B14R2.142 COC1=CC2=C(C=CNC2=O)C=C1 Z1198304559 [0,1,0,0,0,1|1,0,0]=3 568 B14R2.142 COC1=CC2=C(N=CN=C2Cl)N=C1 Z1278925150 [0,1,0,0,0,1|1,0,1]=4 569 B14R2.142 CSC1=CC2=C(C=C1)N=CN=C2Cl Z1278924600 [0,1,0,0,0,1|0,1,1]=4 570 B14R2.781 CC(=O)C1=CC2=C(C=C1)C=NC=C2 Z1255443609 [0,1,0,0,0,1|2,0,0]=4 571 B14R2.781 CC(=O)C1=CC2=C(C=C1)N=CC=C2 Z1089965674 [0,1,0,0,0,1|2,0,0]=4 572 B14R2.781 CC(C)C1=CC2=C(C=C1)N=CC=C2 Z362807154 [0,1,0,0,0,1|2,0,0]=4 573 B14R2.1019 COC1=CC2=C(C=CC=N2)C(=C1)Br Z1269209863 [0,1,0,0,0,1|1,0,1]=4 574 B14R2.1019 COC1=CC2=C(C=NC=C2)C(=C1)Br Z1862017320 [0,1,0,0,0,1|1,0,0]=3 575 B14R2.1019 COC1=CC2=C(N=CC=C2)C(=C1)Br Z1269125113 [0,1,0,0,0,1|1,0,0]=3 576 B14R2.1128 COC1=C(C=C2C=CN=CC2=C1)Cl Z1255420287 [0,1,0,0,0,1|1,0,1]=4 577 B14R2.1128 COC1=C(C=C2C=CN=CC2=C1)F Z1255416557 [0,1,0,0,0,1|1,0,1]=4 578 B14R2.1128 COC1=C(C=C2C=NC=CC2=C1)Br Z1862017680 [0,1,0,0,0,1|1,0,0]=3 579 B14R2.1128 COC1=C(C=C2C=NC=CC2=C1)O Z381390846 [0,1,0,0,0,1|1,0,0]=3 580 B14R2.1128 COC1=C(C=C2CCNCC2=C1)Cl Z4528212721 [0,1,0,0,0,1|1,0,1]=4 581 B14R2.1128 COC1=C(C=C2CCNCC2=C1)F Z4593255272 [0,1,0,0,0,1|1,0,1]=4 582 B14R2.1128 COC1=C(C=C2N=CC=CC2=C1)F Z1258977719 [0,1,0,0,0,1|1,0,0]=3 583 B14R2.1801 COC1=CC2=C(C=C1)C(=CC=N2)Br Z1269133362 [0,1,0,0,0,1|1,0,1]=4 584 B14R2.1801 COC1=CC2=C(C=C1)C(=CC=N2)C Z1255380005 [0,1,0,0,0,1|1,0,1]=4 585 B14R2.1801 COC1=CC2=C(C=C1)C(=CC=N2)Cl Z414834566 [0,1,0,0,0,1|1,0,1]=4 586 B14R2.1801 COC1=CC2=C(C=C1)C(=CC=N2)O Z381338442 [0,1,0,0,0,1|1,0,1]=4 587 B14R2.1801 COC1=CC2=C(C=C1)C(=NC=N2)Cl Z1198169834 [0,1,0,0,0,1|0,0,1]=3 588 B14R2.1801 COC1=CC2=C(C=C1)C(=NC=N2)N Z1198169833 [0,1,0,0,0,1|0,0,1]=3 589 B14R2.1801 COC1=CC2=C(C=C1)C(=O)NC=N2 Z1198166040 [0,1,0,0,0,1|0,0,2]=4 590 B14R2.1801 COC1=CC2=C(N=C1)C(=NC=N2)Cl Z1255434412 [0,1,0,0,0,1|1,0,1]=4 591 B14R2.1801 COC1=NC2=C(C=C1)C(=NC=N2)O Z3636881858 [0,1,0,0,0,1|1,0,1]=4 592 B14R2.2332 COC1=CC2=C(C=C1)CC(NC2)C Z3070475288 [0,1,0,0,0,1|1,0,1]=4 593 B14R2.2332 COC1=CC2=C(C=C1)NC(=O)CC2 Z1197664819 [0,1,0,0,0,1|1,0,1]=4 594 B14R2.2332 COC1=CC2=C(C=C1)NC(=O)CN2 Z1255425647 [0,1,0,0,0,1|0,0,1]=3 595 B14R2.2332 COC1=CC2=C(C=C1)NC(=O)CO2 Z1198168486 [0,1,0,0,0,1|1,0,1]=4 596 B14R2.2332 COC1=CC2=C(C=C1)OC(CN2)C Z1255388610 [0,1,0,0,0,1|1,0,1]=4 597 B14R2.2332 COC1=NC2=C(C=C1)N=C(CS2)N Z1198157759 [0,1,0,0,0,1|2,0,0]=4 598 B14R2.601 CC(=O)C1=CC2=C(C=C1)N=C(S2)N Z1255372876 [0,2,0,0,0,0|2,0,0]=4 599 B14R2.601 CC(=O)C1=CC2=C(C=C1)NC(=O)N2 Z211314842 [0,2,0,0,0,0|1,0,1]=4 600 B14R2.601 CC(=O)C1=CC2=C(C=C1)OC(=O)N2 Z1486035041 [0,2,0,0,0,0|2,0,0]=4 601 B14R2.601 CC(N)C1=CC2=C(C=C1)NC(=O)N2 Z325157248 [0,2,0,0,0,0|1,0,1]=4 602 B14R2.601 CN(C)C1=CC2=C(C=C1)N=C(N2)O Z3064089912 [0,2,0,0,0,0|1,0,0]=3 603 B14R2.601 O=[N+]([O-])C1=CC2=C(C=C1)N=C(N2)S Z56877848 [0,2,0,0,0,0|2,0,0]=4 604 B14R2.624 NC(=O)C1=C(C=C2N=CNC2=C1)F Z2228603497 [0,2,0,0,0,0|2,0,0]=4 605 B14R2.624 O=C(O)C1=C(C=C2N=CNC2=C1)F Z1551961126 [0,2,0,0,0,0|2,0,0]=4 606 B14R2.966 CNC(=O)C1=CC2=C(C=C1)N=CS2 Z32016296 [0,2,0,0,0,0|2,0,0]=4 607 B14R2.966 COC(=O)C1=CC2=C(C=C1)CCN2 Z2768165400 [0,2,0,0,0,0|1,0,1]=4 608 B14R2.966 COC(=O)C1=CC2=C(C=C1)NC=C2 Z1153206326 [0,2,0,0,0,0|1,0,1]=4 609 B14R2.966 COC(=O)C1=CC2=C(C=C1)NC=N2 Z336080270 [0,2,0,0,0,0|0,0,2]=4 610 B14R2.966 COC(=O)C1=CC2=C(C=C1)SC=C2 Z1422315618 [0,2,0,0,0,0|2,0,0]=4 611 B14R2.966 COC(=O)C1=CC2=C(C=CN2)C=C1 Z418671152 [0,2,0,0,0,0|1,0,0]=3 612 B14R2.966 COC(=O)C1=CC2=C(C=CN2)N=C1 Z1198224521 [0,2,0,0,0,0|2,0,0]=4 613 B14R2.966 COC(=O)C1=CC2=C(N=CN2)N=C1 Z1255440077 [0,2,0,0,0,0|1,0,0]=3 614 B14R2.3125 CS(=O)(=O)C1=CC2=C(C=CN2)C=C1 Z1201622640 [0,2,0,0,0,0|1,1,0]=4 615 B14R2.8824 CC1=C2N=CNC2=CC(=C1)C(=O)O Z3244890318 [0,2,0,0,0,0|2,0,0]=4 616 B14R2.24358 CC(=O)C1=CC2=C(C=C1)C=CN2C Z1416193385 [0,2,0,0,0,0|2,0,0]=4 617 B14R2.587 CCOC1=NC2=C(N=CN2)C(=N1)N Z2792063719 [0,2,0,0,0,0|2,0,0]=4 618 B14R2.991 C=CCOC1=CC2=C(C=C1)NC=C2 Z1255443963 [0,2,0,0,0,0|1,0,1]=4 619 B14R2.991 CCCOC1=CC2=C(C=C1)NC=C2 Z1262565865 [0,2,0,0,0,0|1,0,1]=4 620 B14R2.991 CCNCC1=CC2=C(C=CN2)C=C1 Z1154257348 [0,2,0,0,0,0|2,0,0]=4 621 B14R2.991 FCCOC1=CC2=C(C=C1)NC=C2 Z1262614427 [0,2,0,0,0,0|1,0,1]=4 622 B14R2.991 OCCOC1=CC2=C(C=C1)NC=C2 Z1262600834 [0,2,0,0,0,0|1,0,1]=4 623 B14R2.1008 CC(=O)OC1=CC2=C(C=CS2)C=C1 Z1939442107 [0,2,0,0,0,0|2,0,0]=4 624 B14R2.1008 FC(F)OC1=CC2=C(C=C1)NC=C2 Z1262567460 [0,2,0,0,0,0|1,0,1]=4 625 B14R2.6400 CCNC1=CC2=C(C=C1)NC(=O)N2 Z335483564 [0,2,0,0,0,0|1,0,1]=4 626 B14R2.6400 CCOC1=CC2=C(C=C1)N=C(S2)N Z56821892 [0,2,0,0,0,0|1,0,0]=3 627 B14R2.6400 CCOC1=CC2=C(C=C1)NC(=N2)S Z56933699 [0,2,0,0,0,0|0,0,2]=4 628 B14R2.82 COC1=C(C=C2NCCC2=C1)OC Z259726284 [0,2,0,0,0,0|1,0,1]=4 629 B14R2.82 COC1=C(C=C2NN=CC2=C1)OC Z1198172359 [0,2,0,0,0,0|2,0,0]=4 630 B14R2.1197 COC1=C(C=C2N=C(SC2=C1)N)Cl Z57075508 [0,2,0,0,0,0|1,0,0]=3 631 B14R2.1197 COC1=C(C=C2N=C(SC2=N1)N)Br Z1269221983 [0,2,0,0,0,0|2,0,0]=4 632 B14R2.1197 COC1=C(C=C2SC(=NC2=C1)C)N Z424968040 [0,2,0,0,0,0|1,0,1]=4 633 B14R2.1197 COC1=C(C=C2SC(=NC2=C1)N)Br Z1365405459 [0,2,0,0,0,0|1,0,1]=4 634 B14R2.1101 COC1=CC2=C(NC=C2)C(=C1)OC Z1198147559 [0,2,0,0,0,0|1,0,1]=4 635 B14R2.2301 COC1=CC2=C(N=C(S2)N)C(=C1)Cl Z4912252788 [0,2,0,0,0,0|1,0,0]=3 636 B14R2.2497 CCC1=CNC2=C1C=C(C=C2)OC Z1262565884 [0,2,0,0,0,0|1,0,1]=4 637 B14R2.2497 COC1=CC2=C(C=C1)NC=C2C=O Z385369982 [0,2,0,0,0,0|1,0,1]=4 638 B14R2.2497 COC1=CC2=C(C=C1)SC=C2C=O Z1416160071 [0,2,0,0,0,0|2,0,0]=4 639 B14R2.2497 COC1=CN2C(=CN=C2C=C1)C=O Z1198278360 [0,2,0,0,0,0|2,0,0]=4 640 B14R2.3274 CN1C(=NC2=C1C=C(C=C2)C#N)N Z1198157375 [0,2,0,0,0,0|2,0,0]=4 641 B14R2.3274 COC1=CC2=C(C=C1)NC(=C2C)C Z1222423507 [0,2,0,0,0,0|1,0,1]=4 642 B14R2.3274 COC1=CC2=C(C=C1)NC(=O)C2=O Z56899037 [0,2,0,0,0,0|1,0,1]=4 643 B14R2.3274 COC1=CC2=C(C=C1)NC(=O)C2N Z3244908644 [0,2,0,0,0,0|1,0,1]=4 644 B14R2.1815 COC1=CC2=C(C=C1)C(=O)C(=O)N2 Z362600670 [0,2,0,0,0,0|1,0,0]=3 645 B14R2.1815 COC1=CC2=C(C=C1)C(C(=O)N2)N Z3244908643 [0,2,0,0,0,0|1,0,0]=3 646 B14R2.1815 COC1=CC2=C(C=C1)C(C(=O)N2)O Z808167656 [0,2,0,0,0,0|1,0,0]=3 647 B14R2.1815 COC1=CC2=C(C=C1)N(C(=N2)N)C Z3227041329 [0,2,0,0,0,0|0,0,2]=4 648 B14R2.1815 COC1=CC2=C(C=C1)N(C(=O)C2)C Z168882264 [0,2,0,0,0,0|1,0,1]=4 649 B14R2.3304 CCC1=CC2=C(C=C1)N=C(N2)NC Z2751251823 [0,2,0,0,0,0|1,0,0]=3 650 B14R2.3304 COC1=CC2=C(C=C(N2)C=O)N=C1 Z1681353774 [0,2,0,0,0,0|2,0,0]=4 651 B14R2.3304 COC1=CC2=C(C=C1)C=C(N2)C=O Z1198157017 [0,2,0,0,0,0|1,0,0]=3 652 B14R2.3304 COC1=CC2=C(C=C1)C=C(O2)C=O Z1255424065 [0,2,0,0,0,0|2,0,0]=4 653 B14R2.3304 COC1=CC2=C(C=C1)N=C(O2)C=O Z1198182541 [0,2,0,0,0,0|1,0,0]=3 654 B14R2.3304 COC1=CC2=C(C=C1)N=C(S2)C=O Z1255373724 [0,2,0,0,0,0|1,0,0]=3 655 B14R2.3304 COC1=CC2=C(C=C1)NC(=C2)C=O Z1198153197 [0,2,0,0,0,0|1,0,1]=4 656 B14R2.3304 COC1=CC2=C(C=C1)OC(=C2)C=O Z1197664683 [0,2,0,0,0,0|2,0,0]=4 657 B14R2.3304 COC1=CC2=C(C=C1)SC(=C2)C=O Z1198311276 [0,2,0,0,0,0|2,0,0]=4 658 B14R2.3304 COC1=CC2=C(C=C1)SC(=N2)C=O Z1255448839 [0,2,0,0,0,0|1,0,1]=4 659 B14R2.152 COC1=CC2=C(C=C1)C(=CN2)C=O Z1201622582 [0,2,0,0,0,0|1,0,0]=3 660 B12R2.315 CNC1=C2N=CNC2=CC=C1 Z1813134017 [0,0,1,1,0,0|1,0,0]=3 661 B12R2.315 COC1=C2C=CNC2=CC=C1 Z1203730757 [0,0,1,1,0,0|1,0,0]=3 662 B12R2.315 COC1=C2C=CNC2=NC=C1 Z1198176785 [0,0,1,1,0,0|2,0,0]=4 663 B12R2.315 COC1=C2N=CNC2=CC=C1 Z1198182091 [0,0,1,1,0,0|0,0,0]=2 664 B12R2.315 COC1=C2NC=CC2=CC=C1 Z1192378717 [0,0,1,1,0,0|1,0,1]=4 665 B12R2.315 COC1=CC=CN2C1=NC=C2 Z4991178671 [0,0,1,1,0,0|2,0,0]=4 666 B12R2.315 O=CC1=C2N=CNC2=CC=C1 Z1198278885 [0,0,1,1,0,0|2,0,0]=4 667 B12R2.315 OCC1=C2N=CNC2=CC=C1 Z1203733033 [0,0,1,1,0,0|2,0,0]=4 668 B14R3.3022 C1=C2C=C3OCOC3=CC2=NN1 Z1649893170 [0,1,0,1,0,0|2,0,0]=4 669 B10R1.149 COC(=O)C1=C(N=CN1)N Z2009870618 [0,0,1,0,1,0|2,0,0]=4 670 B12R1.27 COC(=O)/C=C/C1=CN=CN=C1 Z2177030874 [0,0,1,0,0,1|1,0,1]=4 671 B12R1.27 COC(=O)/C=C/C1=NC=NC=C1 Z2637047870 [0,0,1,0,0,1|1,0,1]=4 672 B12R2.24 BrC1=CC2=C(C=C1)C=NC=C2 Z1258567795 [1,0,0,0,0,1|2,0,0]=4 673 B12R2.24 BrC1=CC2=C(C=C1)N=CC=C2 Z732220500 [1,0,0,0,0,1|2,0,0]=4 674 B12R2.24 BrC1=CC2=C(C=C1)N=CC=N2 Z1262255201 [1,0,0,0,0,1|1,0,1]=4 675 B12R2.24 BrC1=CC2=C(C=C1)N=CN=C2 Z1263714006 [1,0,0,0,0,1|1,0,1]=4 676 B12R2.24 CC1=CC2=C(C=C1)C=NC=C2 Z1201624992 [1,0,0,0,0,1|1,0,0]=3 677 B12R2.24 CC1=CC2=C(C=C1)CCCN2 Z1166113428 [1,0,0,0,0,1|1,0,1]=4 678 B12R2.24 CC1=CC2=C(C=C1)N=CC=C2 Z277960616 [1,0,0,0,0,1|1,0,0]=3 679 B12R2.24 CC1=CC2=C(C=CC=C2)C=C1 Z104476894 [1,0,0,0,0,1|2,0,0]=4 680 B12R2.24 CC1=CC2=C(C=CN=C2)C=C1 Z1198320696 [1,0,0,0,0,1|1,0,1]=4 681 B12R2.24 ClC1=CC2=C(C=C1)C=NC=C2 Z1198267117 [1,0,0,0,0,1|2,0,0]=4 682 B12R2.24 ClC1=CC2=C(C=C1)N=CC=C2 Z425469218 [1,0,0,0,0,1|2,0,0]=4 683 B12R2.24 FC1=CC2=C(C=C1)C=NC=C2 Z916823870 [1,0,0,0,0,1|2,0,0]=4 684 B12R2.24 FC1=CC2=C(C=C1)N=CC=C2 Z361878560 [1,0,0,0,0,1|2,0,0]=4 685 B12R2.24 IC1=CC2=C(C=C1)N=CC=C2 Z993990690 [1,0,0,0,0,1|2,0,0]=4 686 B12R2.24 NC1=CC2=C(C=C1)N=CC=C2 Z255114686 [1,0,0,0,0,1|2,0,0]=4 687 B12R2.24 NC1=CC2=C(C=C1)N=CC=N2 Z445162266 [1,0,0,0,0,1|1,0,1]=4 688 B12R2.24 OC1=CC2=C(C=C1)C=NC=C2 Z2753800586 [1,0,0,0,0,1|1,0,0]=3 689 B12R2.24 OC1=CC2=C(C=C1)C=NC=N2 Z1198278088 [1,0,0,0,0,1|0,0,1]=3 690 B12R2.24 OC1=CC2=C(C=C1)CCCN2 Z1198176201 [1,0,0,0,0,1|1,0,1]=4 691 B12R2.24 OC1=CC2=C(C=C1)CCNC2 Z382690838 [1,0,0,0,0,1|1,0,1]=4 692 B12R2.24 OC1=CC2=C(C=C1)N=CC=C2 Z759294450 [1,0,0,0,0,1|1,0,0]=3 693 B12R2.24 OC1=CC2=C(C=C1)N=CC=N2 Z636018680 [1,0,0,0,0,1|0,0,1]=3 694 B12R2.24 OC1=CC2=C(C=C1)N=CN=C2 Z1255435182 [1,0,0,0,0,1|0,0,1]=3 695 B12R2.24 OC1=CC2=C(C=C1)OCCN2 Z3234815231 [1,0,0,0,0,1|1,0,1]=4 696 B12R2.24 OC1=CC2=C(C=CC=C2)C=C1 Z57127515 [1,0,0,0,0,1|2,0,0]=4 697 B12R2.24 OC1=CC2=C(C=CN=C2)C=C1 Z56928661 [1,0,0,0,0,1|1,0,1]=4 698 B14R2.2400 COC1=CC2=C(C=C1)CCCCN2 Z1255490319 [0,0,0,0,0,2|1,0,1]=4 699 B14R2.2400 COC1=CC2=C(C=C1)CCNCC2 Z425387736 [0,0,0,0,0,2|1,0,1]=4