0 B13R2.57 BrCC1=CC2=CC=CC=C2N=C1 D88103 [0,0,0,0,0,0|3,0,0]=3 1 B13R2.57 BrCC1=CC2=CC=CN=C2C=C1 73463 [0,0,0,0,0,0|3,0,0]=3 2 B13R2.57 BrCC1=CC2=CN=CC=C2C=C1 AT24114 [0,0,0,0,0,0|3,0,0]=3 3 B13R2.57 BrCC1=CC2=NC=CC=C2C=C1 AT24126 [0,0,0,0,0,0|3,0,0]=3 4 B13R2.57 BrCC1=NC2=CC=CC=C2C=C1 C11064 [0,0,0,0,0,0|3,0,0]=3 5 B13R2.57 COC1=CC2=C(C=C1)COCC2 N14608 [0,0,0,0,0,0|1,0,3]=4 6 B13R2.57 COC1=CC2=C(C=C1)NCCN2 C72325 [0,0,0,0,0,0|2,0,2]=4 7 B13R2.57 COC1=CC2=NC=NC=C2C=C1 76421 [0,0,0,0,0,0|2,0,0]=2 8 B13R2.57 CSC1=NC2=CC=CC=C2C=C1 H11532 [0,0,0,0,0,0|1,1,0]=2 9 B13R2.57 ClCC1=CC2=NC=CC=C2C=C1 AT24125 [0,0,0,0,0,0|3,0,0]=3 10 B13R2.57 ClCC1=CC2=NC=CN=C2C=C1 72442 [0,0,0,0,0,0|4,0,0]=4 11 B13R2.57 ClCC1=CC2=NC=CN=C2C=C1 W10401 [0,0,0,0,0,0|4,0,0]=4 12 B13R2.57 N#CC1=CC2=NC=CC=C2N=C1 F53822 [0,0,0,0,0,0|4,0,0]=4 13 B13R2.57 N#CC1=NC2=CC=CN=C2C=C1 F15617 [0,0,0,0,0,0|4,0,0]=4 14 B13R2.57 NCC1=CC2=CC=CC=C2N=C1 56109 [0,0,0,0,0,0|3,0,0]=3 15 B13R2.57 NCC1=CC=C2C=NC=CC2=C1 N10568 [0,0,0,0,0,0|3,0,0]=3 16 B13R2.57 NCC1=NC2=CC=CC=C2N=C1 AC3706 [0,0,0,0,0,0|4,0,0]=4 17 B13R2.57 NCC1=NC2=NC=CC=C2C=C1 P18043 [0,0,0,0,0,0|4,0,0]=4 18 B13R2.57 NCC1=NC2=NC=CC=C2C=C1 P19532 [0,0,0,0,0,0|4,0,0]=4 19 B13R2.57 NNC1=CC2=CC=CC=C2C=C1 F21338 [0,0,0,0,0,0|2,0,0]=2 20 B13R2.57 NNC1=CC2=CC=CC=C2N=C1 78667 [0,0,0,0,0,0|3,0,0]=3 21 B13R2.57 O=CC1=CC2=CN=CN=C2C=C1 72281 [0,0,0,0,0,0|4,0,0]=4 22 B13R2.57 OCC1=CC2=NC=CC=C2C=C1 AT24124 [0,0,0,0,0,0|3,0,0]=3 23 B12R2.24 CC1=CC2=C(C=CC=C2)CN1 F12577 [1,0,0,0,0,0|1,0,1]=3 24 B12R2.24 FC1=CC2=NC=NC=C2C=C1 D75735 [1,0,0,0,0,0|3,0,0]=4 25 B12R2.24 NC1=CC2=CC=CC=C2N=N1 W16974 [1,0,0,0,0,0|3,0,0]=4 26 B12R2.24 NC1=CC2=CC=CN=C2N=C1 N10431 [1,0,0,0,0,0|3,0,0]=4 27 B12R2.24 NC1=CC=C2N=CC=CC2=C1 F19169 [1,0,0,0,0,0|2,0,0]=3 28 B12R2.24 O=C1C=CC2=C(C=CC=N2)N1 97799 [1,0,0,0,0,0|2,0,1]=4 29 B12R2.24 O=C1N=CC2=C(C=CC=C2)N1 F15801 [1,0,0,0,0,0|2,0,1]=4 30 B14R2.92 COC1=C(Br)C2=CC=NC=C2C=C1 F14395 [0,1,0,0,0,0|1,0,0]=2 31 B14R2.92 COC1=C(Br)C2=CN=CC=C2C=C1 59976 [0,1,0,0,0,0|1,0,0]=2 32 B14R2.92 CO[C@H]1COC2=C(C=CC=C2)C1=O N15515 [0,1,0,0,0,0|1,0,2]=4 33 B14R2.92 N#CC1=CNC2=C(C=CC=C2)C1=O 78011 [0,1,0,0,0,0|3,0,0]=4 34 B14R2.92 NC1=C(CO)C=CC2=CC=CC=C21 AC7220 [0,1,0,0,0,0|2,0,0]=3 35 B14R2.92 O=CC1=C(Cl)C2=CC=CN=C2C=C1 I11195 [0,1,0,0,0,0|3,0,0]=4 36 B14R2.92 O=CC1=C(O)C2=NC=CC=C2C=C1 61402 [0,1,0,0,0,0|3,0,0]=4 37 B14R2.112 ClCCC1=NC2=CC=CC=C2C=N1 AC5096 [0,1,0,0,0,0|3,0,0]=4 38 B14R2.112 NCCC1=CC2=CC=CC=C2C=C1 C15255 [0,1,0,0,0,0|1,0,0]=2 39 B14R2.112 NCCC1=CC2=CC=CC=C2C=C1 C78028 [0,1,0,0,0,0|1,0,0]=2 40 B14R2.112 OCCC1=CC2=NC=CN=C2C=C1 80745 [0,1,0,0,0,0|3,0,0]=4 41 B14R2.112 OCCC1=NC2=NC=CC=C2C=C1 I11181 [0,1,0,0,0,0|3,0,0]=4 42 B14R2.112 S=C=NC1=CC2=CC=CC=C2C=N1 92058 [0,1,0,0,0,0|2,0,1]=4 43 B14R2.134 CC1=CC=C2C=CC(C=O)=CC2=C1 AT10297 [0,1,0,0,0,0|2,0,0]=3 44 B14R2.134 CC1=CC=C2C=CC(C=O)=NC2=C1 AT13137 [0,1,0,0,0,0|3,0,0]=4 45 B14R2.134 CC1=CC=C2C=CC(CF)=CC2=C1 91803 [0,1,0,0,0,0|2,0,0]=3 46 B14R2.134 CNC1=NC=C2C=CC(Br)=CC2=N1 E71147 [0,1,0,0,0,0|3,0,0]=4 47 B14R2.134 COC1=CC2=C(C=C1)C=NC(=O)N2 F15809 [0,1,0,0,0,0|2,0,0]=3 48 B14R2.134 COC1=CC2=C(C=C1)CNC(=O)C2 54449 [0,1,0,0,0,0|1,0,2]=4 49 B14R2.134 COC1=CC2=C(C=C1)COC(=O)N2 AC3130 [0,1,0,0,0,0|2,0,1]=4 50 B14R2.134 COC1=CC2=C(C=C1)OCC(=O)N2 AC6243 [0,1,0,0,0,0|2,0,1]=4 51 B14R2.134 COC1=CC2=C(C=CC(=O)N2)C=C1 F53567 [0,1,0,0,0,0|1,0,0]=2 52 B14R2.134 COC1=CC2=C(C=CC(=O)N2)N=C1 91723 [0,1,0,0,0,0|2,0,0]=3 53 B14R2.134 COC1=CC2=CC(N)=NC=C2C=C1 68513 [0,1,0,0,0,0|1,0,0]=2 54 B14R2.134 COC1=CC2=NC(N)=CN=C2C=C1 92061 [0,1,0,0,0,0|2,0,0]=3 55 B14R2.134 COC1=CC2=NC(N)=CN=C2C=C1 92063 [0,1,0,0,0,0|2,0,0]=3 56 B14R2.134 COC1=CC=C2C=CC(F)=CC2=C1 N14594 [0,1,0,0,0,0|0,0,0]=1 57 B14R2.134 COC1=CC=C2C=NC(Cl)=CC2=C1 79131 [0,1,0,0,0,0|1,0,0]=2 58 B14R2.134 COC1=CN=C2C=CC(Br)=CC2=C1 C71683 [0,1,0,0,0,0|1,0,0]=2 59 B14R2.134 COC1=NC=C2C=CC(Br)=CC2=C1 C91004 [0,1,0,0,0,0|1,0,0]=2 60 B14R2.134 ClC1=CC=C2C=CC(CBr)=NC2=C1 F17064 [0,1,0,0,0,0|3,0,0]=4 61 B14R2.134 N#CC1=CC=C2N=CC(Br)=CC2=C1 95700 [0,1,0,0,0,0|3,0,0]=4 62 B14R2.134 O=CC1=CC=C2C=CC(Br)=CC2=N1 AT13142 [0,1,0,0,0,0|3,0,0]=4 63 B14R2.142 BrCC1=CC=C2C=CC=C(Br)C2=C1 97677 [0,1,0,0,0,0|2,0,0]=3 64 B14R2.142 BrCC1=CC=C2C=NC=C(Br)C2=C1 97674 [0,1,0,0,0,0|3,0,0]=4 65 B14R2.142 CC1=C2N=C(C=O)C=CC2=CC=C1 AT13132 [0,1,0,0,0,0|3,0,0]=4 66 B14R2.142 COC1=CC2=C(C=C1)COCC2=O 96402 [0,1,0,0,0,0|1,0,2]=4 67 B14R2.142 COC1=CC2=C(C=C1)SCCC2=O 90743 [0,1,0,0,0,0|1,0,2]=4 68 B14R2.142 COC1=CC2=C(C=CNC2=O)C=C1 F51356 [0,1,0,0,0,0|1,0,0]=2 69 B14R2.142 COC1=CC=C2C=CC=C(Br)C2=N1 D73419 [0,1,0,0,0,0|1,0,0]=2 70 B14R2.142 COC1=CC=C2C=CC=C(Cl)C2=C1 N14592 [0,1,0,0,0,0|0,0,0]=1 71 B14R2.142 COC1=CC=C2C=CC=C(F)C2=C1 74481 [0,1,0,0,0,0|0,0,0]=1 72 B14R2.142 COC1=CC=C2C=CN=C(Cl)C2=C1 79316 [0,1,0,0,0,0|1,0,0]=2 73 B14R2.142 COC1=CC=C2N=CC=C(I)C2=C1 52456 [0,1,0,0,0,0|1,0,0]=2 74 B14R2.142 COC1=CN=C2C=CC=C(Br)C2=C1 C16370 [0,1,0,0,0,0|1,0,0]=2 75 B14R2.142 COC1=NC2=C(N)C=CC=C2C=C1 90849 [0,1,0,0,0,0|1,0,0]=2 76 B14R2.142 COC1=NC=C2N=CC=C(Cl)C2=C1 28307 [0,1,0,0,0,0|2,0,0]=3 77 B14R2.142 CSC1=CC2=C(O)C=CN=C2C=C1 52946 [0,1,0,0,0,0|1,1,0]=3 78 B14R2.142 N#CC1=CC2=C(C=C1)NC=CC2=O F16688 [0,1,0,0,0,0|3,0,0]=4 79 B14R2.142 N#CC1=CC2=C(N)C=CC=C2N=C1 K10149 [0,1,0,0,0,0|3,0,0]=4 80 B14R2.142 N#CC1=CC=C2C=NC=C(Cl)C2=C1 96630 [0,1,0,0,0,0|3,0,0]=4 81 B14R2.142 NC1=C2C=C(C=O)C=CC2=CC=N1 D85325 [0,1,0,0,0,0|3,0,0]=4 82 B14R2.142 NCC1=CC=C2C=CN=C(N)C2=C1 P14846 [0,1,0,0,0,0|3,0,0]=4 83 B14R2.142 O=CC1=CC=C2N=CC=C(Cl)C2=C1 O11225 [0,1,0,0,0,0|3,0,0]=4 84 B14R2.781 CC(=O)C1=CC2=NC=CC=C2C=C1 92480 [0,1,0,0,0,0|2,0,0]=3 85 B14R2.781 C[C@H](Cl)C1=CC2=CC=CC=C2N=C1 92511 [0,1,0,0,0,0|2,0,0]=3 86 B14R2.781 C[C@H](Cl)C1=CC2=NC=CC=C2C=C1 92482 [0,1,0,0,0,0|2,0,0]=3 87 B14R2.781 C[C@H](Cl)C1=CC2=NC=CN=C2C=C1 92478 [0,1,0,0,0,0|3,0,0]=4 88 B14R2.781 C[C@H](O)C1=CC2=CC=CC=C2N=C1 92510 [0,1,0,0,0,0|2,0,0]=3 89 B14R2.781 OB(O)C1=CC2=CC=NC=C2C=C1 AC3307 [0,1,0,0,0,0|3,0,0]=4 90 B14R2.781 OB(O)C1=NC2=CC=CC=C2C=C1 F16122 [0,1,0,0,0,0|3,0,0]=4 91 B14R2.1019 BrCC1=CC2=CC=CC=C2C(Br)=C1 W13544 [0,1,0,0,0,0|2,0,0]=3 92 B14R2.1019 COC1=CC2=CC=CN=C2C(O)=C1 63440 [0,1,0,0,0,0|1,0,0]=2 93 B14R2.1019 COC1=CC2=CC=NC=C2C(Br)=C1 88827 [0,1,0,0,0,0|1,0,0]=2 94 B14R2.1019 CSC1=NC(=O)C2=C(C=CC=C2)N1 F13464 [0,1,0,0,0,0|2,1,0]=4 95 B14R2.1019 ClC1=CC(CBr)=CC2=CC=CN=C12 93362 [0,1,0,0,0,0|3,0,0]=4 96 B14R2.1019 ClCC1=NC2=CC=CC=C2C(Cl)=C1 C15529 [0,1,0,0,0,0|3,0,0]=4 97 B14R2.1019 N#CC1=NC2=CC=CC=C2C(Cl)=C1 D87760 [0,1,0,0,0,0|3,0,0]=4 98 B14R2.1019 O=CC1=CC2=CC=CN=C2C(Cl)=C1 93363 [0,1,0,0,0,0|3,0,0]=4 99 B14R2.1019 OCC1=CC2=CC=CN=C2C(Cl)=C1 93361 [0,1,0,0,0,0|3,0,0]=4 100 B14R2.1128 CC1=CC2=CC=CC=C2N=C1C=O 71782 [0,1,0,0,0,0|3,0,0]=4 101 B14R2.1128 COC1=CC2=CC=CC=C2N=C1Br 83952 [0,1,0,0,0,0|1,0,0]=2 102 B14R2.1128 N#CC1=CC2=C(C=CC=C2)NC1=O AT16002 [0,1,0,0,0,0|3,0,0]=4 103 B14R2.1128 NC1=CC2=CC=CC=C2C=C1C=O F15847 [0,1,0,0,0,0|2,0,0]=3 104 B14R2.1128 NCC1=CC2=CC=CC=C2C=C1O 32437 [0,1,0,0,0,0|2,0,0]=3 105 B14R2.1128 O=CC1=CC2=C(C=CC=C2)NC1=O 71230 [0,1,0,0,0,0|3,0,0]=4 106 B14R2.1128 O=CC1=NC2=CC=CC=C2C=C1Br AT13206 [0,1,0,0,0,0|3,0,0]=4 107 B14R2.1801 CC1=C2C=CC(C=O)=NC2=CC=C1 72310 [0,1,0,0,0,0|3,0,0]=4 108 B14R2.1801 COC1=CC2=C(C=C1)C(=O)N=CN2 F15674 [0,1,0,0,0,0|2,0,0]=3 109 B14R2.1801 COC1=CC2=CC=CC(C)=C2C=C1 N14598 [0,1,0,0,0,0|0,0,0]=1 110 B14R2.1801 COC1=CC2=CC=CC(N)=C2N=C1 73651 [0,1,0,0,0,0|1,0,0]=2 111 B14R2.1801 COC1=CC=C2C(I)=CC=NC2=C1 AT14804 [0,1,0,0,0,0|1,0,0]=2 112 B14R2.1801 COC1=CN=C2C(=O)C=CNC2=C1 F15710 [0,1,0,0,0,0|2,0,0]=3 113 B14R2.1801 N#CC1=CC=C2C(=C1)C=CN=C2Cl D84716 [0,1,0,0,0,0|3,0,0]=4 114 B14R2.1801 N#CC1=CN=C2C(F)=CC=CC2=C1 87274 [0,1,0,0,0,0|3,0,0]=4 115 B14R2.1801 O=C1C=COC2=C1C=CC(CBr)=C2 W17090 [0,1,0,0,0,0|3,0,0]=4 116 B14R2.1801 O=CC1=CC=C2C(=C1)C=CN=C2Cl D84717 [0,1,0,0,0,0|3,0,0]=4 117 B14R2.1801 O=CC1=CC=C2C(Br)=CC=CC2=N1 AT13144 [0,1,0,0,0,0|3,0,0]=4 118 B14R2.1801 OCC1=CN=C2C(F)=CC=CC2=C1 74983 [0,1,0,0,0,0|3,0,0]=4 119 B14R2.2332 CC1=CC=C2C=C(C=O)C=CC2=C1 AT10298 [0,1,0,0,0,0|2,0,0]=3 120 B14R2.2332 CNC1=CC=C2C=C(Br)C=CC2=C1 E71252 [0,1,0,0,0,0|1,0,0]=2 121 B14R2.2332 CNC1=CC=C2C=C(Br)C=CC2=N1 C91532 [0,1,0,0,0,0|2,0,0]=3 122 B14R2.2332 COC1=CC2=C(C=C1)C=C(Br)CC2 F52285 [0,1,0,0,0,0|0,0,2]=3 123 B14R2.2332 COC1=CC2=C(C=C1)CC(=O)CO2 H10021 [0,1,0,0,0,0|1,0,2]=4 124 B14R2.2332 COC1=CC2=C(C=C1)NC(=O)N=C2 F15811 [0,1,0,0,0,0|2,0,0]=3 125 B14R2.2332 COC1=CC2=C(C=C1)NC(=O)OC2 AC7149 [0,1,0,0,0,0|2,0,1]=4 126 B14R2.2332 COC1=CC2=CC=C(C)C=C2C=C1 N14597 [0,1,0,0,0,0|0,0,0]=1 127 B14R2.2332 COC1=CC2=CN=C(N)C=C2C=C1 F31205 [0,1,0,0,0,0|1,0,0]=2 128 B14R2.2332 COC1=CC2=CN=C(N)N=C2C=C1 AC6666 [0,1,0,0,0,0|2,0,0]=3 129 B14R2.2332 COC1=CC2=NC=C(N)N=C2C=C1 92036 [0,1,0,0,0,0|2,0,0]=3 130 B14R2.2332 COC1=CC=C2C=C(Cl)C=NC2=C1 K10008 [0,1,0,0,0,0|1,0,0]=2 131 B14R2.2332 COC1=CC=C2N=C(F)C=CC2=C1 55499 [0,1,0,0,0,0|1,0,0]=2 132 B14R2.2332 COC1=NC2=CC=C(N)C=C2C=C1 CS1596 [0,1,0,0,0,0|1,0,0]=2 133 B14R2.2332 COC1=NC=C2C=C(Br)C=CC2=C1 C91486 [0,1,0,0,0,0|1,0,0]=2 134 B14R2.2332 N#CC1=CC2=C(C=C1)NC(=O)C=C2 P16953 [0,1,0,0,0,0|3,0,0]=4 135 B14R2.2332 N#CC1=CC2=CC=C(N)C=C2N=C1 K10140 [0,1,0,0,0,0|3,0,0]=4 136 B14R2.2332 N#CC1=CC2=CN=C(N)C=C2C=C1 68481 [0,1,0,0,0,0|3,0,0]=4 137 B14R2.2332 N#CC1=CN=C2C=C(Cl)C=CC2=C1 F13946 [0,1,0,0,0,0|3,0,0]=4 138 B14R2.2332 O=CC1=CC2=C(C=C1)OC(=O)C=C2 F14768 [0,1,0,0,0,0|3,0,0]=4 139 B14R2.2332 O=CC1=CC=C2C=C(Cl)C=CC2=N1 80262 [0,1,0,0,0,0|3,0,0]=4 140 B14R2.2332 OCC1=CC=C2C=C(O)C=CC2=C1 C15542 [0,1,0,0,0,0|2,0,0]=3 141 B14R2.2332 OCC1=CN=C2C=C(Br)C=CC2=C1 K10050 [0,1,0,0,0,0|3,0,0]=4 142 B12R1.27 NC(\C=C\C1=CC=CC=C1)=N/O W15444 [0,0,1,0,0,0|3,0,0]=4 143 B12R1.71 C=CCCC1=CC=C(OC)C=C1 AC5393 [0,0,1,0,0,0|0,0,2]=3 144 B12R1.71 C=CCOC1=CC=C(OC)C=C1 W18721 [0,0,1,0,0,0|1,0,1]=3 145 B12R1.71 COC1=CC=C(CCC=O)C=C1 C15265 [0,0,1,0,0,0|1,0,2]=4 146 B12R1.382 COC1=CC=CC(CCC=O)=C1 AC6075 [0,0,1,0,0,0|1,0,2]=4 147 B12R2.1 CCN1C=CC2=CC=CN=C21 F52142 [0,0,0,0,1,0|3,0,0]=4 148 B12R2.1 COC1=NNC2=C1C=CC=C2 P11898 [0,0,0,0,1,0|2,0,0]=3 149 B12R2.1 CSC1=CNC2=C1C=CC=C2 80001 [0,0,0,0,1,0|1,1,0]=3 150 B12R2.1 ClCC1=COC2=C1C=CC=C2 C76142 [0,0,0,0,1,0|3,0,0]=4 151 B12R2.1 NCC1=CNC2=C1C=CC=C2 C80078 [0,0,0,0,1,0|3,0,0]=4 152 B12R2.1 NCC1=COC2=C1C=CC=C2 AC4652 [0,0,0,0,1,0|3,0,0]=4 153 B12R2.1 OCC1=COC2=C1C=CC=C2 AC6184 [0,0,0,0,1,0|3,0,0]=4 154 B12R2.32 BrCC1=CC2=C(C=CC=C2)O1 AC6096 [0,0,0,0,1,0|3,0,0]=4 155 B12R2.32 ClCC1=CC2=C(C=CC=C2)O1 AC6009 [0,0,0,0,1,0|3,0,0]=4 156 B12R2.44 BrCC1=CC2=C(C=C1)OC=C2 AC5003 [0,0,0,0,1,0|3,0,0]=4 157 B12R2.44 CCC1=CC2=C(C=CN2)C=C1 72108 [0,0,0,0,1,0|2,0,0]=3 158 B12R2.44 COC1=CC2=C(C=C1)SN=N2 D77627 [0,0,0,0,1,0|3,0,0]=4 159 B12R2.44 COC1=CC2=C(C=CC2)C=C1 A10637 [0,0,0,0,1,0|0,0,1]=2 160 B12R2.44 COC1=CN=C2N=CNC2=C1 F18481 [0,0,0,0,1,0|3,0,0]=4 161 B12R2.44 COC1=NC2=C(C=N1)SC=C2 66363 [0,0,0,0,1,0|3,0,0]=4 162 B12R2.44 CSC1=CC2=C(C=CN2)C=C1 F17545 [0,0,0,0,1,0|1,1,0]=3 163 B12R2.44 N#CC1=CC2=C(C=CO2)C=C1 57244 [0,0,0,0,1,0|3,0,0]=4 164 B12R2.44 NCC1=CC2=C(C=C1)OC=C2 F13229 [0,0,0,0,1,0|3,0,0]=4 165 B12R2.44 NCC1=CC2=C(C=C1)OC=C2 F20150 [0,0,0,0,1,0|3,0,0]=4 166 B12R2.44 NCC1=CC2=C(C=C1)SC=C2 73943 [0,0,0,0,1,0|3,0,0]=4 167 B12R2.44 NNC1=CC2=C(C=C1)NC=C2 F17872 [0,0,0,0,1,0|3,0,0]=4 168 B11R1.1 C=C\C=C\C1=CC=C(F)C=C1 59824 [1,0,1,0,0,0|1,0,0]=3 169 B11R1.280 C=CC1=C(Cl)C=CC(OC)=C1 D85759 [1,0,1,0,0,0|1,0,0]=3 170 B11R1.280 C=CC1=C(N)C=CC(OC)=C1 78403 [1,0,1,0,0,0|1,0,0]=3 171 B11R1.280 COC1=CC(C=O)=C(I)C=C1 N10139 [1,0,1,0,0,0|2,0,0]=4 172 B11R1.280 COC1=CC(C=O)=C(N)C=C1 F15852 [1,0,1,0,0,0|2,0,0]=4 173 B11R1.17 CO\C=C\C1=CC=CN=C1Br D85678 [1,0,1,0,0,0|2,0,0]=4 174 B11R1.17 O=C\C=C\C1=C(Br)C=CC=C1 W16727 [1,0,1,0,0,0|1,0,1]=4 175 B11R1.17 O=C\C=C\C1=C(O)C=CC=C1 D90980 [1,0,1,0,0,0|1,0,1]=4 176 B11R1.24 O=C\C=C\C1=CC=CC(F)=C1 FD10704 [1,0,1,0,0,0|2,0,0]=4 177 B11R2.20 C1=CC2=CC=NC=C2C=N1 69947 [2,0,0,0,0,0|2,0,0]=4 178 B13R1.15 COC(=O)\C=C\C1=NC(N)=CC=C1 D87540 [0,1,1,0,0,0|2,0,0]=4 179 B13R1.528 COC(=O)\C=C\C1=C(N)C=CC=C1 W18708 [0,1,1,0,0,0|1,0,0]=3 180 B13R1.5 COC1=CC=C(\C=C(/C)C=O)C=C1 F15127 [0,1,1,0,0,0|1,0,0]=3 181 B13R1.452 C=CC[C@H](O)C1=CC=C(OC)C=C1 W18879 [0,1,1,0,0,0|0,0,2]=4 182 B13R1.452 COC1=CC=C(\C(Cl)=C\C#N)C=C1 32322 [0,1,1,0,0,0|1,0,1]=4 183 B13R1.2430 COC1=CC(C(=O)O)=C(C=O)C=C1 AT14868 [0,1,1,0,0,0|2,0,0]=4 184 B13R1.95 C=C[C@H](N)C1=C(F)C=C(OC)C=C1 N15342 [0,1,1,0,0,0|1,0,1]=4 185 B13R1.95 C=C[C@H](N)C1=C(F)C=C(OC)C=C1 N15343 [0,1,1,0,0,0|1,0,1]=4 186 B13R1.95 C=C[C@H](N)C1=C(F)C=C(OC)C=C1 N15344 [0,1,1,0,0,0|1,0,1]=4 187 B13R1.2431 C=C[C@H](N)C1=C(F)C=CC(OC)=C1 N15354 [0,1,1,0,0,0|1,0,1]=4 188 B13R1.2431 C=C[C@H](N)C1=C(F)C=CC(OC)=C1 N15355 [0,1,1,0,0,0|1,0,1]=4 189 B13R1.2431 C=C[C@H](N)C1=C(F)C=CC(OC)=C1 N15356 [0,1,1,0,0,0|1,0,1]=4 190 B13R1.696 COC(=O)C(=O)C1=C(C)C=CC=C1 AC5965 [0,1,1,0,0,0|1,0,1]=4 191 B13R1.81 C=CC(=O)NC1=CC(OC)=CC=C1 N11725 [0,1,1,0,0,0|1,0,0]=3 192 B13R1.81 COC1=CC=CC(O\C(Cl)=C/Cl)=C1 95278 [0,1,1,0,0,0|2,0,0]=4 193 B13R2.32 BrC1=C(Br)C2=CC=CC=C2C=N1 36192 [1,1,0,0,0,0|2,0,0]=4 194 B13R2.32 CC1=C(O)C2=NC=CC=C2C=C1 71141 [1,1,0,0,0,0|1,0,0]=3 195 B13R2.32 CN1C=CC2=CC=CN=C2C1=O D73821 [1,1,0,0,0,0|2,0,0]=4 196 B13R2.32 CN1N=CC2=C(C=CC=C2)C1=O N16864 [1,1,0,0,0,0|2,0,0]=4 197 B13R2.32 C[C@H]1C=NC2=C(C=CC=C2)C1=O AC4882 [1,1,0,0,0,0|1,0,1]=4 198 B13R2.32 ClC1=C(Br)C2=CC=CC=C2N=C1 93348 [1,1,0,0,0,0|2,0,0]=4 199 B13R2.32 FC1=C(Br)C2=CC=CN=C2C=C1 AC2843 [1,1,0,0,0,0|2,0,0]=4 200 B13R2.32 NC1=C(Br)N=CC2=CC=CC=C21 27185 [1,1,0,0,0,0|2,0,0]=4 201 B13R2.32 NC1=C(Cl)C2=CC=CC=C2C=N1 91248 [1,1,0,0,0,0|2,0,0]=4 202 B13R2.32 NC1=C(Cl)C=NC2=CC=CC=C21 O10994 [1,1,0,0,0,0|2,0,0]=4 203 B13R2.32 NC1=CC=C2N=CC=CC2=C1N 98386 [1,1,0,0,0,0|2,0,0]=4 204 B13R2.32 NC1=CC=C2N=CC=CC2=C1N CS1203 [1,1,0,0,0,0|2,0,0]=4 205 B13R2.32 OC1=C(Cl)C2=CC=CC=C2N=C1 C15579 [1,1,0,0,0,0|1,0,0]=3 206 B13R2.32 OC1=C(Cl)C2=NC=CC=C2C=C1 C14483 [1,1,0,0,0,0|1,0,0]=3 207 B13R2.32 OC1=C(Cl)C=NC2=CC=CC=C21 93347 [1,1,0,0,0,0|2,0,0]=4 208 B13R2.32 OC1=C(Cl)N=CC2=CC=CC=C21 CL1036 [1,1,0,0,0,0|2,0,0]=4 209 B13R2.155 CC1=CC2=C(C=CC(=O)N2)N=C1 91722 [1,1,0,0,0,0|2,0,0]=4 210 B13R2.155 CC1=CC=C2C=CC(Br)=CC2=C1 O10697 [1,1,0,0,0,0|0,0,0]=2 211 B13R2.155 CC1=CC=C2C=CC(Cl)=NC2=N1 AT15926 [1,1,0,0,0,0|2,0,0]=4 212 B13R2.155 CC1=CC=C2C=CC(N)=NC2=N1 AT15933 [1,1,0,0,0,0|2,0,0]=4 213 B13R2.155 CC1=CC=C2C=CC(O)=NC2=N1 AT15928 [1,1,0,0,0,0|2,0,0]=4 214 B13R2.155 CC1=CC=C2N=CC(Br)=CC2=C1 84135 [1,1,0,0,0,0|1,0,0]=3 215 B13R2.155 CC1=CC=C2N=CC(N)=NC2=C1 92084 [1,1,0,0,0,0|2,0,0]=4 216 B13R2.155 CC1=CC=C2N=CC(N)=NC2=C1 92086 [1,1,0,0,0,0|2,0,0]=4 217 B13R2.155 CC1=CC=C2N=CC(O)=CC2=C1 A10636 [1,1,0,0,0,0|1,0,0]=3 218 B13R2.155 ClC1=CC=C2C=CC(Cl)=NC2=C1 80787 [1,1,0,0,0,0|2,0,0]=4 219 B13R2.155 NC1=CC=C2N=CC(I)=CC2=C1 D74425 [1,1,0,0,0,0|2,0,0]=4 220 B13R2.155 NC1=CC=C2N=CC(O)=CC2=C1 33324 [1,1,0,0,0,0|1,0,0]=3 221 B13R2.155 NC1=NC=C2C=CC(O)=CC2=C1 68526 [1,1,0,0,0,0|1,0,0]=3 222 B13R2.155 O=C1C=CC2=C(C=C(F)C=C2)O1 D83247 [1,1,0,0,0,0|1,0,1]=4 223 B13R2.155 OC1=CC=C2C=CC(Cl)=NC2=N1 C73013 [1,1,0,0,0,0|2,0,0]=4 224 B13R2.155 OC1=CC=C2C=CC(F)=NC2=N1 D74676 [1,1,0,0,0,0|2,0,0]=4 225 B13R2.155 OC1=CC=C2N=CC(Br)=CC2=N1 K10107 [1,1,0,0,0,0|2,0,0]=4 226 B13R2.155 OC1=CC=C2N=CC(Cl)=CC2=C1 80398 [1,1,0,0,0,0|1,0,0]=3 227 B13R2.155 OC1=CC=C2N=CC(F)=CC2=N1 K10125 [1,1,0,0,0,0|2,0,0]=4 228 B13R2.162 BrC1=CC2=C(Br)C=CC=C2C=N1 D80057 [1,1,0,0,0,0|2,0,0]=4 229 B13R2.162 CC1=C2N=C(Br)C=CC2=CC=C1 94408 [1,1,0,0,0,0|2,0,0]=4 230 B13R2.162 CC1=C2N=C(N)C=CC2=CC=C1 72104 [1,1,0,0,0,0|2,0,0]=4 231 B13R2.162 CC1=CC=C2C=CC=C(Br)C2=C1 97676 [1,1,0,0,0,0|0,0,0]=2 232 B13R2.162 CC1=CC=C2C=CC=C(N)C2=C1 C16241 [1,1,0,0,0,0|0,0,0]=2 233 B13R2.162 CC1=CC=C2C=CN=C(Cl)C2=C1 F30684 [1,1,0,0,0,0|1,0,0]=3 234 B13R2.162 CC1=CC=C2C=CNC(=O)C2=N1 54220 [1,1,0,0,0,0|2,0,0]=4 235 B13R2.162 CC1=CC=C2N=CC=C(Cl)C2=N1 F15085 [1,1,0,0,0,0|2,0,0]=4 236 B13R2.162 ClC1=CC=C2C=CC=C(Br)C2=C1 W18103 [1,1,0,0,0,0|1,0,0]=3 237 B13R2.162 ClC1=CC=C2N=CC=C(I)C2=C1 AT14806 [1,1,0,0,0,0|2,0,0]=4 238 B13R2.162 ClC1=CN=C2C=CC=C(Br)C2=C1 80410 [1,1,0,0,0,0|2,0,0]=4 239 B13R2.162 FC1=C2C=C(Br)C=CC2=CC=N1 55505 [1,1,0,0,0,0|2,0,0]=4 240 B13R2.162 FC1=CC=C2C=CC=C(Br)C2=N1 91504 [1,1,0,0,0,0|2,0,0]=4 241 B13R2.162 NC1=C2N=C(Br)C=CC2=CC=C1 E72018 [1,1,0,0,0,0|2,0,0]=4 242 B13R2.162 NC1=CC=C2C=CC=C(Br)C2=C1 AT10622 [1,1,0,0,0,0|1,0,0]=3 243 B13R2.162 OC1=C2C=C(Cl)C=NC2=CC=C1 80400 [1,1,0,0,0,0|2,0,0]=4 244 B13R2.162 OC1=CC=C2C=CN=C(Cl)C2=C1 C73233 [1,1,0,0,0,0|1,0,0]=3 245 B13R2.162 OC1=CN=C2C=CC=C(Cl)C2=C1 33283 [1,1,0,0,0,0|1,0,0]=3 246 B13R2.162 SC1=C2C=C(Br)C=CC2=NC=C1 AT15189 [1,1,0,0,0,0|2,0,0]=4 247 B13R2.222 CC1(C)C=CC2=C(C=CC=C2)N1 AT10869 [1,1,0,0,0,0|1,0,1]=4 248 B13R2.328 BrC1=CC2=CC=CC=C2C(I)=C1 AC3548 [1,1,0,0,0,0|1,0,0]=3 249 B13R2.328 CC1=CC(N)=C2C=CC=NC2=C1 K10310 [1,1,0,0,0,0|1,0,0]=3 250 B13R2.328 CC1=CC2=CC=CC=C2C(C)=C1 T71081 [1,1,0,0,0,0|0,0,0]=2 251 B13R2.328 CC1=CC2=CC=CN=C2C(Cl)=N1 AT15907 [1,1,0,0,0,0|2,0,0]=4 252 B13R2.328 CC1=NC2=CN=CC=C2C(Cl)=C1 54829 [1,1,0,0,0,0|2,0,0]=4 253 B13R2.328 CC1=NC2=NC=CC=C2C(N)=C1 50957 [1,1,0,0,0,0|2,0,0]=4 254 B13R2.328 ClC1=CC2=CN=CC=C2C(Cl)=C1 C16294 [1,1,0,0,0,0|2,0,0]=4 255 B13R2.328 FC1=CC(Br)=CC2=CC=CC=C12 F11290 [1,1,0,0,0,0|1,0,0]=3 256 B13R2.328 FC1=CC2=CC=CC=C2C(Br)=C1 E72054 [1,1,0,0,0,0|1,0,0]=3 257 B13R2.328 FC1=CC2=CC=NC=C2C(Cl)=C1 97671 [1,1,0,0,0,0|2,0,0]=4 258 B13R2.328 NC1=CC(Br)=CC2=CC=NC=C12 D87185 [1,1,0,0,0,0|2,0,0]=4 259 B13R2.328 NC1=CC(Cl)=CC2=CN=CC=C12 C16071 [1,1,0,0,0,0|2,0,0]=4 260 B13R2.328 NC1=CC2=CC=CC=C2C(O)=C1 F50945 [1,1,0,0,0,0|1,0,0]=3 261 B13R2.328 NC1=CC2=CC=CN=C2C(Br)=C1 84593 [1,1,0,0,0,0|2,0,0]=4 262 B13R2.328 NC1=CC2=CC=NC=C2C(F)=C1 D87186 [1,1,0,0,0,0|2,0,0]=4 263 B13R2.328 NC1=CC2=CN=CC=C2C(O)=C1 D87200 [1,1,0,0,0,0|2,0,0]=4 264 B13R2.328 NC1=CC2=NC=CC=C2C(Br)=C1 K10003 [1,1,0,0,0,0|2,0,0]=4 265 B13R2.328 NC1=NC2=CC=CC=C2C(Cl)=C1 AT23422 [1,1,0,0,0,0|2,0,0]=4 266 B13R2.328 O=C1C=C(Cl)C2=C(C=CC=C2)O1 D76212 [1,1,0,0,0,0|1,0,1]=4 267 B13R2.328 O=C1C=C(I)OC2=C1C=CC=C2 C91932 [1,1,0,0,0,0|2,0,0]=4 268 B13R2.328 O=C1NC(Cl)=CC2=C1C=CC=C2 32072 [1,1,0,0,0,0|2,0,0]=4 269 B13R2.328 OC1=CC(Br)=CC2=CN=CC=C12 E70451 [1,1,0,0,0,0|2,0,0]=4 270 B13R2.328 OC1=CC(Cl)=CC2=CN=CC=C12 D87205 [1,1,0,0,0,0|2,0,0]=4 271 B13R2.328 OC1=CC(F)=CC2=CN=CC=C12 D87208 [1,1,0,0,0,0|2,0,0]=4 272 B13R2.328 OC1=CC2=NC=CC=C2C(O)=N1 F15898 [1,1,0,0,0,0|2,0,0]=4 273 B13R2.369 BrC1=CC2=CC=CC=C2N=C1I F30333 [1,1,0,0,0,0|2,0,0]=4 274 B13R2.369 CC1=C(C)C=C2N=CC=CC2=C1 N13369 [1,1,0,0,0,0|1,0,0]=3 275 B13R2.369 CC1=CC2=C(C=CC=C2)NC1=O 58045 [1,1,0,0,0,0|1,0,0]=3 276 B13R2.369 CC1=CC2=CC=CC=C2N=C1Br 94406 [1,1,0,0,0,0|1,0,0]=3 277 B13R2.369 CC1=CC2=CN=CC=C2C=C1F 81070 [1,1,0,0,0,0|1,0,0]=3 278 B13R2.369 ClC1=CC2=CC=CC=C2N=C1Br D84301 [1,1,0,0,0,0|2,0,0]=4 279 B13R2.369 ClC1=CC2=CC=CC=C2N=C1Cl 26652 [1,1,0,0,0,0|2,0,0]=4 280 B13R2.369 FC1=CC2=CC=NC=C2C=C1Cl 97669 [1,1,0,0,0,0|2,0,0]=4 281 B13R2.369 NC1=CC2=CC=CN=C2C=C1Cl 91345 [1,1,0,0,0,0|2,0,0]=4 282 B13R2.369 OC1=CC2=NC=CC=C2C=C1Br K10294 [1,1,0,0,0,0|1,0,0]=3 283 B13R2.369 OC1=NC2=CC=CN=C2C=C1Br F30271 [1,1,0,0,0,0|2,0,0]=4 284 B13R2.3683 CC1=CC2=C(C=C1)NC(=O)N=C2 F15802 [1,1,0,0,0,0|2,0,0]=4 285 B13R2.3683 CC1=CC2=CC=C(N)C=C2N=C1 K10051 [1,1,0,0,0,0|1,0,0]=3 286 B13R2.3683 CC1=CC=C2C=C(Br)C=CC2=C1 D78656 [1,1,0,0,0,0|0,0,0]=2 287 B13R2.3683 CC1=CC=C2C=C(Cl)N=CC2=C1 W16225 [1,1,0,0,0,0|1,0,0]=3 288 B13R2.3683 CC1=CC=C2N=C(N)C=NC2=C1 92064 [1,1,0,0,0,0|2,0,0]=4 289 B13R2.3683 CC1=CC=C2N=C(N)C=NC2=C1 92082 [1,1,0,0,0,0|2,0,0]=4 290 B13R2.3683 CC1=CC=C2N=C(N)C=NC2=C1 92083 [1,1,0,0,0,0|2,0,0]=4 291 B13R2.3683 CC1=CN=C2C=C(Br)C=CC2=N1 91922 [1,1,0,0,0,0|2,0,0]=4 292 B13R2.3683 CC1=CN=C2C=C(I)C=CC2=N1 91923 [1,1,0,0,0,0|2,0,0]=4 293 B13R2.3683 CC1=CN=C2N=C(C)C=CC2=C1 D75079 [1,1,0,0,0,0|2,0,0]=4 294 B13R2.3683 CC1=NC2=CC=C(N)C=C2N=C1 91921 [1,1,0,0,0,0|2,0,0]=4 295 B13R2.3683 CC1=NC=C2C=C(Cl)C=CC2=N1 91919 [1,1,0,0,0,0|2,0,0]=4 296 B13R2.3683 CC1=NC=C2C=C(F)C=CC2=N1 91915 [1,1,0,0,0,0|2,0,0]=4 297 B13R2.3683 CC1=NC=C2C=C(I)C=CC2=N1 91918 [1,1,0,0,0,0|2,0,0]=4 298 B13R2.3683 N=C1C=C2C=CC(Br)=CC2=CN1 O11642 [1,1,0,0,0,0|2,0,0]=4 299 B13R2.3683 NC1=CC2=C(C=C1)NC(=O)C=C2 P10166 [1,1,0,0,0,0|1,0,1]=4 300 B13R2.3683 NC1=CC=C2C=C(Br)C=CC2=N1 S11534 [1,1,0,0,0,0|2,0,0]=4 301 B13R2.3683 NC1=CC=C2C=C(F)C=CC2=C1 C72558 [1,1,0,0,0,0|1,0,0]=3 302 B13R2.3683 NC1=CC=C2C=C(O)C=CC2=C1 AT25693 [1,1,0,0,0,0|0,0,0]=2 303 B13R2.3683 OC1=CC=C2C=C(I)C=CC2=N1 F18811 [1,1,0,0,0,0|1,0,0]=3 304 B13R2.3683 OC1=CN=C2C=C(Cl)C=CC2=C1 33310 [1,1,0,0,0,0|1,0,0]=3 305 B13R2.5179 BrC1=CC=C2C(=C1)C=CN=C2Br D80052 [1,1,0,0,0,0|2,0,0]=4 306 B13R2.5179 CC1=CC2=C(C=C1)C(=O)C=CO2 C91052 [1,1,0,0,0,0|1,0,0]=3 307 B13R2.5179 CC1=CC=C2C(Br)=CC=NC2=C1 F53837 [1,1,0,0,0,0|1,0,0]=3 308 B13R2.5179 CC1=CC=C2C(Cl)=CC=NC2=C1 84263 [1,1,0,0,0,0|1,0,0]=3 309 B13R2.5179 CC1=CC=C2C(O)=CC=CC2=N1 69653 [1,1,0,0,0,0|1,0,0]=3 310 B13R2.5179 CC1=NC2=CC=CC(C)=C2C=C1 AT13138 [1,1,0,0,0,0|1,0,0]=3 311 B13R2.5179 CC1=NC=C2C(F)=CC=CC2=N1 F11843 [1,1,0,0,0,0|2,0,0]=4 312 B13R2.5179 ClC1=C2C=CC(Br)=CC2=CC=C1 D86133 [1,1,0,0,0,0|1,0,0]=3 313 B13R2.5179 ClC1=CC=C2C(Cl)=CC=[15N]C2=C1 D98227 [1,1,0,0,0,0|2,0,0]=4 314 B13R2.5179 FC1=C2C=CC(Br)=CC2=NC=C1 80388 [1,1,0,0,0,0|2,0,0]=4 315 B13R2.5179 FC1=CC=C2C(Br)=CC=CC2=N1 91506 [1,1,0,0,0,0|2,0,0]=4 316 B13R2.5179 NC1=C2C=CC(Cl)=NC2=CC=C1 O10759 [1,1,0,0,0,0|2,0,0]=4 317 B13R2.5179 NC1=CN=C2C(O)=CC=CC2=C1 80441 [1,1,0,0,0,0|2,0,0]=4 318 B13R2.5179 O=C1C=C2C=CC=C(Br)C2=CN1 P16671 [1,1,0,0,0,0|1,0,1]=4 319 B13R2.5179 O=C1C=C2C=CC=C(Cl)C2=CN1 D76504 [1,1,0,0,0,0|1,0,1]=4 320 B13R2.5179 O=C1C=CC2=C(Br)C=CC=C2O1 E70217 [1,1,0,0,0,0|1,0,1]=4 321 B13R2.5179 O=C1NC=CC2=C1C=CC(I)=C2 F19085 [1,1,0,0,0,0|2,0,0]=4 322 B13R2.5179 OC1=C2C=CC(F)=CC2=CC=N1 81072 [1,1,0,0,0,0|2,0,0]=4 323 B13R2.5179 OC1=NC=C2C(Br)=CC=CC2=C1 24374 [1,1,0,0,0,0|1,0,0]=3 324 B13R2.5179 [O-][N+]1=C2C=CC(Br)=CC2=CC=C1 D85320 [1,1,0,0,0,0|2,0,0]=4 325 B13R2.5179 [O-][N+]1=C2C=CC(O)=CC2=CC=C1 AC9845 [1,1,0,0,0,0|1,0,0]=3 326 B13R2.1 CNCC1=CNC2=C1C=CC=C2 71407 [0,1,0,0,1,0|2,0,0]=4 327 B13R2.1 OCCC1=COC2=C1C=CC=C2 AC6763 [0,1,0,0,1,0|2,0,0]=4 328 B13R2.1 OCCN1C=CC2=C1C=CC=C2 O10447 [0,1,0,0,1,0|2,0,0]=4 329 B13R2.9 COC1=NNC2=C(Br)C=CC=C12 O11633 [0,1,0,0,1,0|2,0,0]=4 330 B13R2.72 CC(=O)C1=COC2=C1C=CC=C2 W16116 [0,1,0,0,1,0|2,0,0]=4 331 B13R2.2931 CO[IH2]1OC(=O)C2=C1C=CC=C2 S11240 [0,1,0,0,1,0|2,0,0]=4 332 B13R2.43 CCC1=CC2=C(C=CC(N)=C2)N1 96066 [0,1,0,0,1,0|2,0,0]=4 333 B13R2.54 CCC1=CC2=CC=CC(C)=C2N1 S10153 [0,1,0,0,1,0|2,0,0]=4 334 B13R2.435 CC(=O)C1=CN2C=CC=CC2=C1 F20741 [0,1,0,0,1,0|2,0,0]=4 335 B13R2.435 C[C@H](N)C1=CC2=C(C=CC=C2)O1 N14704 [0,1,0,0,1,0|2,0,0]=4 336 B13R2.435 C[C@H](N)C1=CC2=C(C=CC=C2)O1 N14705 [0,1,0,0,1,0|2,0,0]=4 337 B13R2.435 C[C@H](N)C1=CC2=C(C=CC=C2)O1 N14706 [0,1,0,0,1,0|2,0,0]=4 338 B13R2.435 C[C@H](O)C1=CC2=C(C=CC=C2)S1 71502 [0,1,0,0,1,0|2,0,0]=4 339 B13R2.84 COC1=C(Br)C2=C(C=C1)C=NN2 F18449 [0,1,0,0,1,0|2,0,0]=4 340 B13R2.84 COC1=C(C)C2=C(C=CN2)C=C1 76376 [0,1,0,0,1,0|1,0,0]=3 341 B13R2.84 COC1=C(F)C2=C(C=CN2)C=C1 94824 [0,1,0,0,1,0|1,0,0]=3 342 B13R2.430 C[C@H](N)C1=CC2=C(C=C1)OC=C2 92542 [0,1,0,0,1,0|2,0,0]=4 343 B13R2.449 CCOC1=CC2=C(C=C1)NC=C2 24610 [0,1,0,0,1,0|1,0,0]=3 344 B13R2.449 CCOC1=CC2=C(C=C1)NN=C2 78353 [0,1,0,0,1,0|2,0,0]=4 345 B13R2.449 CCOC1=NC2=C(C=C1)NC=C2 F11174 [0,1,0,0,1,0|2,0,0]=4 346 B13R2.449 OCCC1=CC2=C(C=C1)OC=C2 71980 [0,1,0,0,1,0|2,0,0]=4 347 B13R2.599 COC1=C(I)C=C2C=NNC2=C1 76298 [0,1,0,0,1,0|2,0,0]=4 348 B13R2.654 COC1=CC(Br)=C2OC=CC2=C1 AC7187 [0,1,0,0,1,0|1,0,0]=3 349 B13R2.654 COC1=CC(C)=C2C=CNC2=C1 O11604 [0,1,0,0,1,0|1,0,0]=3 350 B13R2.654 COC1=CC(N)=C2C=NNC2=C1 I11323 [0,1,0,0,1,0|2,0,0]=4 351 B13R2.669 COC1=CC2=C(Br)C=NN2C=C1 51014 [0,1,0,0,1,0|2,0,0]=4 352 B13R2.669 COC1=CC2=C(C=C1)NN=C2I 75851 [0,1,0,0,1,0|2,0,0]=4 353 B13R2.669 COC1=CC2=C(C=C1)OC=C2Br C74713 [0,1,0,0,1,0|1,0,0]=3 354 B13R2.669 COC1=CC2=C(C=C1)OC=C2C 82257 [0,1,0,0,1,0|1,0,0]=3 355 B13R2.669 COC1=CC2=C(C=C1)ON=C2Cl AT10780 [0,1,0,0,1,0|2,0,0]=4 356 B13R2.669 COC1=CC2=C(C=C1)ONC2=O D78696 [0,1,0,0,1,0|2,0,0]=4 357 B13R2.669 COC1=CC2=C(C=C1)SC=C2C AC9273 [0,1,0,0,1,0|1,0,0]=3 358 B13R2.2121 COC1=CC2=C(C=C1)C=C(I)S2 C12034 [0,1,0,0,1,0|1,0,0]=3 359 B13R2.2121 COC1=CC2=C(C=C1)OC(C)=N2 AC6374 [0,1,0,0,1,0|2,0,0]=4 360 B13R2.2121 COC1=CC2=C(C=C1)SC(Br)=N2 S10142 [0,1,0,0,1,0|2,0,0]=4 361 B13R2.2121 COC1=NC2=C(C=C1)C=C(C)N2 63344 [0,1,0,0,1,0|2,0,0]=4 362 B13R2.2121 COC1=NC=C2C=C(C)NC2=C1 C14302 [0,1,0,0,1,0|2,0,0]=4 363 B13R2.2130 COC1=CC2=C(C=C1)C(=O)NO2 D78694 [0,1,0,0,1,0|2,0,0]=4 364 B13R2.2130 COC1=CC2=C(C=C1)C(Cl)=NO2 AT10781 [0,1,0,0,1,0|2,0,0]=4 365 B13R2.2130 COC1=CC2=C(C=C1)C(O)=NN2 20043 [0,1,0,0,1,0|2,0,0]=4 366 B13R2.2130 COC1=CN=C2C(=C1)C=CN2C 88589 [0,1,0,0,1,0|2,0,0]=4 367 B13R2.2130 COC1=NC2=C(C=C1)N(O)C=C2 D74365 [0,1,0,0,1,0|2,0,0]=4 368 B15R2.627 NC1=C([N+](=O)[O-])C=CC2=CC=CC=C21 AC6456 [0,2,0,0,0,0|2,0,0]=4 369 B15R2.2115 COC1=C(CBr)C2=NC=CC=C2N=C1 67229 [0,2,0,0,0,0|2,0,0]=4 370 B15R2.4774 CC1=CC=C2C=CC(C=O)=C(Br)C2=C1 57919 [0,2,0,0,0,0|2,0,0]=4 371 B15R2.4774 COC1=CC=C2C=CC(=O)OC2=C1O F17709 [0,2,0,0,0,0|1,0,0]=3 372 B15R2.4774 O=CC1=C(Br)C2=CC(Cl)=CC=C2C=C1 57916 [0,2,0,0,0,0|2,0,0]=4 373 B15R2.4774 O=CC1=C(Br)C2=CC(F)=CC=C2C=C1 57917 [0,2,0,0,0,0|2,0,0]=4 374 B15R2.4778 COC1=CN=C2C=C(Cl)C=CC2=C1O S10317 [0,2,0,0,0,0|1,0,0]=3 375 B15R2.4778 O=CC1=C(Br)C2=CC=C(Cl)C=C2C=C1 57922 [0,2,0,0,0,0|2,0,0]=4 376 B15R2.4778 O=CC1=C(Br)C2=CC=C(F)C=C2C=C1 57921 [0,2,0,0,0,0|2,0,0]=4 377 B15R2.4844 O=CC1=C(O)C2=C(O)C=CC=C2C=C1 F15624 [0,2,0,0,0,0|2,0,0]=4 378 B15R2.22378 COC1=C(Br)C2=NC=NC(Cl)=C2C=C1 94833 [0,2,0,0,0,0|2,0,0]=4 379 B15R2.22378 COC1=CC=C2C(=O)NC=NC2=C1Br 94832 [0,2,0,0,0,0|2,0,0]=4 380 B15R2.22378 COC1=CC=C2C(=O)NC=NC2=C1Cl 94829 [0,2,0,0,0,0|2,0,0]=4 381 B15R2.22378 COC1=CC=C2C(=O)NC=NC2=C1F 94822 [0,2,0,0,0,0|2,0,0]=4 382 B15R2.352 C#CCOC1=CC2=CC=CC=C2C=C1 C15245 [0,2,0,0,0,0|0,0,0]=2 383 B15R2.352 NCCCC1=CC2=CC=CC=C2C=C1 C77852 [0,2,0,0,0,0|1,0,0]=3 384 B15R2.886 CCOC1=NC2=C(C=CC=C2)C(=O)O1 D72798 [0,2,0,0,0,0|2,0,0]=4 385 B15R2.1601 C#C[C@@H](O)C1=CC2=CC=CC=C2C=C1 AC4408 [0,2,0,0,0,0|1,0,1]=4 386 B15R2.1601 N#C[C@@H](N)C1=CC2=CC=CC=C2C=C1 93111 [0,2,0,0,0,0|1,0,1]=4 387 B15R2.1601 N[C@@H](CO)C1=CC2=CC=CN=C2C=C1 N14946 [0,2,0,0,0,0|2,0,0]=4 388 B15R2.1601 N[C@@H](CO)C1=CC2=CC=CN=C2C=C1 N14947 [0,2,0,0,0,0|2,0,0]=4 389 B15R2.1601 O=C(CBr)C1=CC2=CC=CN=C2C=C1 I11144 [0,2,0,0,0,0|2,0,0]=4 390 B15R2.1668 CC(=O)OC1=CC2=CC=CN=C2C=C1 S11746 [0,2,0,0,0,0|1,0,0]=3 391 B15R2.10252 CCNC1=CN=C2C=C(Br)C=CC2=C1 K10309 [0,2,0,0,0,0|2,0,0]=4 392 B15R2.10252 OCCC1=CC=C2C=C(F)C=CC2=N1 73358 [0,2,0,0,0,0|2,0,0]=4 393 B15R2.1824 COC1=C(Br)C=C2C=NC(=O)NC2=C1 F15824 [0,2,0,0,0,0|2,0,0]=4 394 B15R2.1824 COC1=CC2=C(C=CC(=O)O2)C=C1O 43053 [0,2,0,0,0,0|1,0,0]=3 395 B15R2.1824 COC1=CC2=C(C=CC(Br)=C2)NC1=O 87956 [0,2,0,0,0,0|1,0,0]=3 396 B15R2.1824 COC1=NC2=CC(F)=CC=C2N=C1Cl C91513 [0,2,0,0,0,0|2,0,0]=4 397 B15R2.4776 COC1=CC=C2C=CC(C=O)=NC2=C1 AT13129 [0,2,0,0,0,0|1,0,0]=3 398 B15R2.4807 COC1=CC=C2C=CC(F)=C(C)C2=N1 AT15323 [0,2,0,0,0,0|1,0,0]=3 399 B15R2.4807 COC1=CC=C2N=CC(F)=C(O)C2=N1 70374 [0,2,0,0,0,0|2,0,0]=4 400 B15R2.4807 COC1=CN=C2C=CC(F)=C(C)C2=N1 C91510 [0,2,0,0,0,0|2,0,0]=4 401 B15R2.7174 CC(=O)C1=CC=C2C=CC(Br)=CC2=N1 F50486 [0,2,0,0,0,0|2,0,0]=4 402 B15R2.7174 C[C@H](N)C1=CC=C2C=CC(Br)=CC2=N1 N14638 [0,2,0,0,0,0|2,0,0]=4 403 B15R2.7174 C[C@H](O)C1=CC=C2C=CC(Br)=CC2=N1 F50243 [0,2,0,0,0,0|2,0,0]=4 404 B15R2.7174 C[C@H](O)C1=CC=C2C=CC(Br)=CC2=N1 F50310 [0,2,0,0,0,0|2,0,0]=4 405 B15R2.21336 COC1=CC2=C(C=C1)C=C(C)C(=O)N2 92259 [0,2,0,0,0,0|1,0,0]=3 406 B15R2.21336 COC1=CC=C2C=C(C)C(Cl)=NC2=C1 92258 [0,2,0,0,0,0|1,0,0]=3 407 B15R2.89396 COC1=CC2=C(C=C1)C(=O)NC(=O)N2 F15603 [0,2,0,0,0,0|2,0,0]=4 408 B15R2.89396 COC1=CC2=C(C=C1)C(=O)NC(Cl)=N2 F15740 [0,2,0,0,0,0|2,0,0]=4 409 B15R2.89396 COC1=CC2=C(C=C1)C(=O)NC(N)=N2 F15765 [0,2,0,0,0,0|2,0,0]=4 410 B15R2.89396 COC1=CC2=C(C=C1)C(Cl)=CC(=O)O2 AC1935 [0,2,0,0,0,0|1,0,0]=3 411 B15R2.89396 COC1=CC2=NC(C)=CC(O)=C2C=C1 AC2773 [0,2,0,0,0,0|1,0,0]=3 412 B15R2.89396 COC1=CC=C2C(=C1)C=C(Cl)N=C2Cl AT20883 [0,2,0,0,0,0|1,0,0]=3 413 B15R2.89396 COC1=CC=C2C(Cl)=CC(C)=NC2=C1 AC1936 [0,2,0,0,0,0|1,0,0]=3 414 B15R2.2393 COC1=C(F)C=C2N=CNC(=O)C2=C1 P13441 [0,2,0,0,0,0|2,0,0]=4 415 B15R2.2393 COC1=C(F)C=C2N=NC=C(Br)C2=C1 89903 [0,2,0,0,0,0|2,0,0]=4 416 B15R2.2393 COC1=CC2=C(O)N=CC=C2C=C1Br C92481 [0,2,0,0,0,0|1,0,0]=3 417 B15R2.21329 CCC1=CC=C2N=C(Cl)C=C(C)C2=C1 AC8502 [0,2,0,0,0,0|2,0,0]=4 418 B15R2.21329 COC1=CC2=C(C=C1)N=C(C)NC2=O 53769 [0,2,0,0,0,0|2,0,0]=4 419 B15R2.21329 COC1=CC2=C(C=C1)N=C(C)OC2=O C10885 [0,2,0,0,0,0|2,0,0]=4 420 B15R2.21329 COC1=CC2=C(C=C1)N=C(Cl)NC2=O O10748 [0,2,0,0,0,0|2,0,0]=4 421 B15R2.21329 COC1=CC2=C(C=C1)NC(=O)C=C2C D74570 [0,2,0,0,0,0|1,0,0]=3 422 B15R2.21329 COC1=CC2=C(O)N=C(C)N=C2C=C1 94726 [0,2,0,0,0,0|2,0,0]=4 423 B15R2.21329 COC1=CC=C2C=C(Cl)N=C(Cl)C2=C1 96202 [0,2,0,0,0,0|1,0,0]=3 424 B15R2.21329 COC1=CC=C2N=C(C)C=C(Cl)C2=N1 94725 [0,2,0,0,0,0|2,0,0]=4 425 B15R2.21329 COC1=CC=C2N=C(Cl)N=C(C)C2=C1 O10745 [0,2,0,0,0,0|2,0,0]=4 426 B15R2.21329 COC1=CC=C2N=C(N)N=C(Cl)C2=C1 AC4051 [0,2,0,0,0,0|2,0,0]=4 427 B15R2.21329 COC1=CC=C2NC(C)=CC(=O)C2=N1 94724 [0,2,0,0,0,0|2,0,0]=4 428 B15R2.22397 COC1=CC=C2C(=C1)C(Br)=CN=C2Cl 80912 [0,2,0,0,0,0|1,0,0]=3 429 B15R2.984 CC(=O)C1=CC2=CC=CC=C2N=C1Cl AT15998 [0,2,0,0,0,0|2,0,0]=4 430 B15R2.4441 FC(F)(F)C1=CC2=CC=CC=C2C=C1 AT25656 [0,2,0,0,0,0|2,0,0]=4 431 B15R2.7180 CC(=O)C1=CC2=NC=C(C)C=C2C=C1 92516 [0,2,0,0,0,0|2,0,0]=4 432 B15R2.7180 CC(=O)C1=CC=C2C=C(Br)C=NC2=C1 K10055 [0,2,0,0,0,0|2,0,0]=4 433 B15R2.7180 CC1=CN=C2C=C([C@H](C)O)C=CC2=C1 92517 [0,2,0,0,0,0|2,0,0]=4 434 B15R2.7180 C[C@H](O)C1=CC=C2C=C(Cl)C=NC2=C1 92505 [0,2,0,0,0,0|2,0,0]=4 435 B15R2.7180 O=C(O)C1=CC=C2C=C(I)C=CC2=C1 D78655 [0,2,0,0,0,0|2,0,0]=4 436 B15R2.7180 OB(O)C1=CC=C2C=C(Cl)C=CC2=C1 AT25686 [0,2,0,0,0,0|2,0,0]=4 437 B15R2.1851 COC1=CC2=CC=CC=C2C(OC)=C1 C13981 [0,2,0,0,0,0|0,0,0]=2 438 B15R2.1851 COC1=CC2=CC=CN=C2C(C=O)=C1 F14400 [0,2,0,0,0,0|1,0,0]=3 439 B15R2.2713 COC1=CC(Cl)=C2C=C(Br)C=CC2=N1 F13887 [0,2,0,0,0,0|1,0,0]=3 440 B15R2.83901 COC1=CC(O)=C2C(=O)NC=NC2=C1 C15703 [0,2,0,0,0,0|2,0,0]=4 441 B15R2.1754 COC1=CC2=C(C=C(Br)C=C2)NC1=O 87957 [0,2,0,0,0,0|1,0,0]=3 442 B15R2.1754 COC1=CC2=CN=C(N)C=C2C=C1Cl 92175 [0,2,0,0,0,0|1,0,0]=3 443 B15R2.2039 COC1=C(Br)C=C2C(=O)NC=CC2=C1 F30568 [0,2,0,0,0,0|1,0,0]=3 444 B15R2.2039 COC1=C(Br)C=C2C(=O)NC=NC2=C1 90761 [0,2,0,0,0,0|2,0,0]=4 445 B15R2.2039 COC1=C(F)C=C2C(=C1)C=CN=C2Cl 69144 [0,2,0,0,0,0|1,0,0]=3 446 B15R2.2039 COC1=C(I)C=C2C(=O)N=CNC2=C1 F15668 [0,2,0,0,0,0|2,0,0]=4 447 B15R2.2039 COC1=CC2=NC=NC(Cl)=C2C=C1Br 90762 [0,2,0,0,0,0|2,0,0]=4 448 B15R2.2310 COC1=CC2=C(C=C1)C(C#N)=CCC2 C16142 [0,2,0,0,0,0|0,0,2]=4 449 B15R2.2310 COC1=CC2=NC=CC(C#N)=C2C=C1 CS1812 [0,2,0,0,0,0|1,0,0]=3 450 B15R2.89401 COC1=CC2=NC=C(Br)C(=O)N2C=C1 W14720 [0,2,0,0,0,0|2,0,0]=4 451 B15R2.4780 CNC1=CC=C2C=C(C#N)C=CC2=C1 E71251 [0,2,0,0,0,0|1,0,0]=3 452 B15R2.4780 CNC1=CC=C2C=C(C=O)C=CC2=C1 E72020 [0,2,0,0,0,0|1,0,0]=3 453 B15R2.4780 COC1=CC=C2N=C(C=O)C=CC2=C1 AT13130 [0,2,0,0,0,0|1,0,0]=3 454 B15R2.4780 COC1=CC=C2N=C(CCl)N=CC2=C1 AC5117 [0,2,0,0,0,0|2,0,0]=4 455 B13R2.10 OC1=CC(C2=CC=CC=C2)=NO1 AC5685 [0,0,1,1,0,0|2,0,0]=4 456 B13R2.5252 O=C1CCC=CC2=C1C=CC=C2 92612 [0,0,1,1,0,0|2,0,0]=4 457 B13R2.2093 O=CC1=C2C=CC=CC=C2C=C1 T71265 [0,0,1,1,0,0|2,0,0]=4 458 B15R3.4266 C1=CC=C2C=C3NN=NC3=CC2=C1 AT25373 [0,1,0,1,0,0|2,0,0]=4 459 B15R3.31603 C1=CC2=CC(C3CC3)=CC=C2C=N1 AC8811 [0,1,0,1,0,0|2,0,0]=4 460 B15R3.31603 C1=CC2=CC(C3CC3)=CC=C2N=C1 AC9171 [0,1,0,1,0,0|2,0,0]=4 461 B15R3.31603 C1=CC2=CC=C(C3CC3)C=C2N=C1 AC9667 [0,1,0,1,0,0|2,0,0]=4 462 B15R3.31603 C1=CC=C2C=C(C3CC3)C=CC2=C1 AC9616 [0,1,0,1,0,0|1,0,0]=3 463 B15R3.31603 C1=CC=C2N=C(C3CC3)C=CC2=C1 AC8325 [0,1,0,1,0,0|2,0,0]=4 464 B11R1.222 COC(=N)C1=C(Br)C=CC=C1 AC5256 [0,0,1,0,1,0|2,0,0]=4 465 B11R2.1 BrC1=CCC2=C1C=CC=C2 D78625 [1,0,0,0,1,0|1,0,1]=4 466 B11R2.1 CC1=C2C=CC=CC2=NO1 AC6101 [1,0,0,0,1,0|2,0,0]=4 467 B11R2.1 CN1C=CC2=C1C=CN=C2 D70942 [1,0,0,0,1,0|2,0,0]=4 468 B11R2.1 OC1=C2C=CC=NC2=CN1 F18499 [1,0,0,0,1,0|2,0,0]=4 469 B11R2.1 OC1=CN=C2C=CC=CN12 F18394 [1,0,0,0,1,0|2,0,0]=4 470 B11R2.1 OC1=CNC2=C1C=CC=C2 F18139 [1,0,0,0,1,0|1,0,0]=3 471 B11R2.1 OC1=CSC2=C1C=CC=C2 C15915 [1,0,0,0,1,0|1,0,0]=3 472 B11R2.1 ON1N=CC2=C1C=CC=C2 E70293 [1,0,0,0,1,0|2,0,0]=4 473 B11R2.10 ClC1=CC2=C(C=CC=C2)O1 AC6512 [1,0,0,0,1,0|2,0,0]=4 474 B11R2.10 NC1=CC2=C(C=CC=C2)N1 79767 [1,0,0,0,1,0|2,0,0]=4 475 B11R2.10 NC1=CC2=C(C=CC=C2)N1 F13373 [1,0,0,0,1,0|2,0,0]=4 476 B11R2.36 CC1=CC2=CC=NN2C=C1 51003 [1,0,0,0,1,0|2,0,0]=4 477 B11R2.36 CC1=CN2N=CC=C2C=C1 56903 [1,0,0,0,1,0|2,0,0]=4 478 B11R2.36 ClC1=CC2=C(C=C1)OC=C2 A51024 [1,0,0,0,1,0|2,0,0]=4 479 B11R2.36 ClC1=CN2C=CC=C2C=C1 SC1109 [1,0,0,0,1,0|2,0,0]=4 480 B11R2.36 FC1=CC2=C(C=C1)CC=C2 N14223 [1,0,0,0,1,0|1,0,1]=4 481 B11R2.36 FC1=CC2=C(C=C1)SC=C2 P15215 [1,0,0,0,1,0|2,0,0]=4 482 B11R2.36 OC1=CC2=C(C=CS2)C=C1 A11012 [1,0,0,0,1,0|1,0,0]=3 483 B11R2.36 OC1=CC2=C(C=CS2)N=C1 36039 [1,0,0,0,1,0|2,0,0]=4