0 B11R2.10 BrC1=CC2=C(C=CC=C2)C1 B51041 [0,0,0,0,0,0|3,0,0]=3 1 B11R2.10 BrC1=CC2=C(C=CC=C2)O1 B47828 [0,0,0,0,0,0|2,0,0]=2 2 B11R2.10 BrC1=CC2=C(C=CC=C2)S1 B47534 [0,0,0,0,0,0|2,1,0]=3 3 B11R2.10 BrC1=CC2=C(C=NC=C2)N1 B69716 [0,0,0,0,0,0|3,0,1]=4 4 B11R2.10 BrC1=CC2=C(N=CC=C2)N1 B16458 [0,0,0,0,0,0|3,0,1]=4 5 B11R2.10 BrC1=CN2C=CC=CC2=N1 B16658 [0,0,0,0,0,0|3,0,0]=3 6 B11R2.10 BrC1=NC2=C(C=CC=C2)N1 B36657 [0,0,0,0,0,0|2,0,0]=2 7 B11R2.10 BrC1=NC2=C(C=CC=C2)S1 B44414 [0,0,0,0,0,0|1,1,0]=2 8 B11R2.10 BrC1=NC2=C(N=CC=C2)S1 B23598 [0,0,0,0,0,0|2,1,0]=3 9 B11R2.10 BrC1CC2=C(C=CC=C2)C1 B51667 [0,0,0,0,0,0|3,0,1]=4 10 B11R2.10 CC1=CC2=C(C=CC=C2)C1 M38071 [0,0,0,0,0,0|2,0,0]=2 11 B11R2.10 CC1=CC2=C(C=CC=C2)N1 M13893 [0,0,0,0,0,0|1,0,1]=2 12 B11R2.10 CC1=CC2=C(C=CC=C2)S1 M51663 [0,0,0,0,0,0|1,1,0]=2 13 B11R2.10 CC1=CC2=C(C=CN=C2)N1 M14784 [0,0,0,0,0,0|2,0,1]=3 14 B11R2.10 CC1=CC2=C(C=NC=C2)N1 M12631 [0,0,0,0,0,0|2,0,1]=3 15 B11R2.10 CC1=CC2=CC=CN=C2N1 M0598 [0,0,0,0,0,0|2,0,1]=3 16 B11R2.10 CC1=CC2=CN=CN=C2N1 M11115 [0,0,0,0,0,0|3,0,1]=4 17 B11R2.10 CC1=CC2=NC=CC=C2N1 M25103 [0,0,0,0,0,0|2,0,1]=3 18 B11R2.10 CC1=CC2=NC=CN=C2N1 M60205 [0,0,0,0,0,0|3,0,1]=4 19 B11R2.10 CC1=NC2=C(C=CC=C2)O1 M63131 [0,0,0,0,0,0|0,0,0]=0 20 B11R2.10 CC1=NC2=C(C=CC=C2)S1 M39486 [0,0,0,0,0,0|0,1,0]=1 21 B11R2.10 CC1=NC2=C(C=CC=N2)O1 M38652 [0,0,0,0,0,0|1,0,0]=1 22 B11R2.10 CC1=NC2=C(CCNC2)O1 M46467 [0,0,0,0,0,0|1,0,3]=4 23 B11R2.10 CC1=NC2=CN=CN=C2N1 M42829 [0,0,0,0,0,0|3,0,0]=3 24 B11R2.10 CC1=NC2=NC=CC=C2N1 M45728 [0,0,0,0,0,0|2,0,0]=2 25 B11R2.10 CN1C=C2C=CC=CC2=N1 M14460 [0,0,0,0,0,0|2,0,0]=2 26 B11R2.10 C[C@H]1CC2=C(C=CC=C2)N1 M13896 [0,0,0,0,0,0|1,0,2]=3 27 B11R2.10 C[C@H]1CC2=C(C=CC=C2)N1 M15830 [0,0,0,0,0,0|1,0,2]=3 28 B11R2.10 C[C@H]1CC2=CC=CN=C2N1 D64809 [0,0,0,0,0,0|2,0,2]=4 29 B11R2.10 ClC1=CC2=C(C=CC=C2)N1 C47956 [0,0,0,0,0,0|2,0,1]=3 30 B11R2.10 ClC1=NC2=C(C=CC=C2)N1 C39352 [0,0,0,0,0,0|2,0,0]=2 31 B11R2.10 ClC1=NC2=C(C=CC=C2)O1 C44527 [0,0,0,0,0,0|1,0,0]=1 32 B11R2.10 ClC1=NC2=C(C=CC=C2)S1 C39328 [0,0,0,0,0,0|1,1,0]=2 33 B11R2.10 ClC1=NC2=C(C=CC=N2)O1 C38306 [0,0,0,0,0,0|2,0,0]=2 34 B11R2.10 ClC1=NC2=C(C=CC=N2)O1 C41854 [0,0,0,0,0,0|2,0,0]=2 35 B11R2.10 ClC1=NC2=C(C=CC=N2)S1 C32167 [0,0,0,0,0,0|2,1,0]=3 36 B11R2.10 ClC1=NC2=C(C=CN=C2)S1 C41830 [0,0,0,0,0,0|2,1,0]=3 37 B11R2.10 ClC1=NC2=C(N=CC=C2)S1 C26456 [0,0,0,0,0,0|2,1,0]=3 38 B11R2.10 ClC1=NC2=C(N=CC=N2)S1 C40488 [0,0,0,0,0,0|3,1,0]=4 39 B11R2.10 IC1=CC2=C(C=CC=C2)N1 K47983 [0,0,0,0,0,0|2,0,1]=3 40 B11R2.10 IC1=CC2=C(C=CN=C2)N1 I37324 [0,0,0,0,0,0|3,0,1]=4 41 B11R2.10 IC1=CC2=C(N=CC=C2)N1 I8108 [0,0,0,0,0,0|3,0,1]=4 42 B11R2.10 IC1=NC2=C(C=CC=C2)S1 K44444 [0,0,0,0,0,0|1,1,0]=2 43 B11R2.10 NC1=CC2=C(C=CC=C2)S1 B39092 [0,0,0,0,0,0|2,1,0]=3 44 B11R2.10 NC1=NC2=C(C=CC=C2)N1 K64925 [0,0,0,0,0,0|2,0,0]=2 45 B11R2.10 NC1=NC2=C(C=CC=C2)O1 B45208 [0,0,0,0,0,0|1,0,0]=1 46 B11R2.10 NC1=NC2=C(C=CC=N2)S1 T18969 [0,0,0,0,0,0|2,1,0]=3 47 B11R2.10 NC1=NC2=C(C=CN=C2)O1 X42470 [0,0,0,0,0,0|2,0,0]=2 48 B11R2.10 NC1=NC2=C(C=NC=C2)O1 X42471 [0,0,0,0,0,0|2,0,0]=2 49 B11R2.10 NC1=NN2C=CN=CC2=N1 T40987 [0,0,0,0,0,0|4,0,0]=4 50 B11R2.10 O=C1C=C2C=CC=CN2N1 P45223 [0,0,0,0,0,0|3,0,1]=4 51 B11R2.10 O=C1CC2=C(C=CC=C2)C1 K24552 [0,0,0,0,0,0|3,0,0]=3 52 B11R2.10 O=C1CC2=C(C=CC=N2)N1 D0382 [0,0,0,0,0,0|3,0,1]=4 53 B11R2.10 O=C1CC2=C(C=CN=C2)N1 D0077 [0,0,0,0,0,0|3,0,1]=4 54 B11R2.10 O=C1CC2=C(C=NC=C2)N1 D0383 [0,0,0,0,0,0|3,0,1]=4 55 B11R2.10 O=C1CC2=C(N=CC=C2)N1 D0034 [0,0,0,0,0,0|3,0,1]=4 56 B11R2.10 O=C1CC2=C(N=CC=C2)N1 D15765 [0,0,0,0,0,0|3,0,1]=4 57 B11R2.10 O=C1CN2C=CC=CC2=N1 K46529 [0,0,0,0,0,0|3,0,0]=3 58 B11R2.10 O=C1NC2=C(C=CC=C2)N1 H67954 [0,0,0,0,0,0|2,0,1]=3 59 B11R2.10 O=C1NC2=C(C=CC=N2)O1 X39239 [0,0,0,0,0,0|2,0,1]=3 60 B11R2.10 O=C1NC2=C(C=CC=N2)S1 T42138 [0,0,0,0,0,0|2,1,1]=4 61 B11R2.10 O=C1NC2=C(C=NC=C2)N1 I38762 [0,0,0,0,0,0|3,0,1]=4 62 B11R2.10 O=C1NC2=C(N=CC=C2)N1 K42475 [0,0,0,0,0,0|3,0,1]=4 63 B11R2.10 O=C1OC2=C(C=CC=C2)O1 B44621 [0,0,0,0,0,0|2,0,0]=2 64 B11R2.10 OC1=CN2C=CC=CC2=N1 K45215 [0,0,0,0,0,0|3,0,0]=3 65 B11R2.10 OC1CC2=C(C=CC=C2)C1 D67665 [0,0,0,0,0,0|3,0,1]=4 66 B11R2.10 S=C1NC2=C(C=CC=C2)N1 B69662 [0,0,0,0,0,0|2,0,1]=3 67 B11R2.10 S=C1NC2=C(C=CC=C2)S1 B69039 [0,0,0,0,0,0|1,1,1]=3 68 B11R2.10 S=C1NC2=C(C=CC=N2)O1 X42139 [0,0,0,0,0,0|2,0,1]=3 69 B11R2.10 S=C1NC2=C(C=CC=N2)S1 T63919 [0,0,0,0,0,0|2,1,1]=4 70 B11R2.10 S=C1NC2=C(C=NC=C2)N1 D63137 [0,0,0,0,0,0|3,0,1]=4 71 B11R2.10 S=C1NC2=C(N=CC=C2)N1 K42494 [0,0,0,0,0,0|3,0,1]=4 72 B11R2.10 SC1=NC2=C(C=CC=N2)O1 X42137 [0,0,0,0,0,0|2,0,0]=2 73 B10R2.7 C1=CC2=C(C=C1)CNC2 D64953 [1,0,0,0,0,0|3,0,0]=4 74 B10R2.7 C1=CC2=C(C=C1)NC=N2 B69282 [1,0,0,0,0,0|1,0,0]=2 75 B10R2.7 C1=CC2=C(C=C1)NN=C2 I14459 [1,0,0,0,0,0|2,0,1]=4 76 B10R2.7 C1=CC2=C(C=C1)NN=N2 B38421 [1,0,0,0,0,0|2,0,0]=3 77 B10R2.7 C1=CC2=C(C=C1)OC=N2 B39360 [1,0,0,0,0,0|0,0,0]=1 78 B10R2.7 C1=CC2=C(C=C1)OCC2 D65079 [1,0,0,0,0,0|1,0,1]=3 79 B10R2.7 C1=CC2=C(C=C1)OCO2 B69389 [1,0,0,0,0,0|1,0,1]=3 80 B10R2.7 C1=CC2=C(C=C1)SC=N2 B68567 [1,0,0,0,0,0|0,1,0]=2 81 B10R2.7 C1=CC2=C(C=C1)SCS2 B61366 [1,0,0,0,0,0|1,1,1]=4 82 B10R2.7 C1=CC2=C(C=CN2)C=N1 A3184 [1,0,0,0,0,0|2,0,1]=4 83 B10R2.7 C1=CC2=C(C=CO2)N=C1 F10431 [1,0,0,0,0,0|2,0,0]=3 84 B10R2.7 C1=CC2=C(C=CS2)N=C1 T14110 [1,0,0,0,0,0|2,1,0]=4 85 B10R2.7 C1=CC2=C(C=N1)N=CN2 I10244 [1,0,0,0,0,0|2,0,0]=3 86 B10R2.7 C1=CC2=C(C=N1)N=CO2 X42084 [1,0,0,0,0,0|1,0,0]=2 87 B10R2.7 C1=CC2=C(C=N1)N=CS2 T9784 [1,0,0,0,0,0|1,1,0]=3 88 B10R2.7 C1=CC2=C(C=N1)NC=C2 A2957 [1,0,0,0,0,0|2,0,1]=4 89 B10R2.7 C1=CC2=C(C=N1)NN=N2 T40817 [1,0,0,0,0,0|3,0,0]=4 90 B10R2.7 C1=CC2=C(C=N1)OC=C2 F3036 [1,0,0,0,0,0|2,0,0]=3 91 B10R2.7 C1=CC2=C(C=N1)SC=C2 T3035 [1,0,0,0,0,0|2,1,0]=4 92 B10R2.7 C1=CC2=C(C=N1)SC=N2 T8903 [1,0,0,0,0,0|1,1,0]=3 93 B10R2.7 C1=CC2=C(N=C1)N=CO2 X42083 [1,0,0,0,0,0|1,0,0]=2 94 B10R2.7 C1=CC2=CC=NN2C=C1 P64401 [1,0,0,0,0,0|2,0,0]=3 95 B10R2.7 C1=CC2=CN=NN2C=C1 T6808 [1,0,0,0,0,0|3,0,0]=4 96 B10R2.7 C1=CC2=CNN=C2C=N1 P61843 [1,0,0,0,0,0|3,0,0]=4 97 B10R2.7 C1=CC2=NC=CN2C=C1 I5954 [1,0,0,0,0,0|2,0,0]=3 98 B10R2.7 C1=CC2=NC=CN2N=C1 K3654 [1,0,0,0,0,0|3,0,0]=4 99 B10R2.7 C1=CC2=NC=NN2C=C1 B3325 [1,0,0,0,0,0|2,0,0]=3 100 B10R2.7 C1=CC2=NN=NN2C=C1 T40812 [1,0,0,0,0,0|3,0,0]=4 101 B10R2.7 C1=CC2=NSN=C2C=C1 B69028 [1,0,0,0,0,0|2,0,0]=3 102 B10R2.7 C1=CN2C=CN=C2C=N1 K68092 [1,0,0,0,0,0|3,0,0]=4 103 B10R2.7 C1=CN2C=CN=C2N=C1 K63246 [1,0,0,0,0,0|3,0,0]=4 104 B10R2.7 C1=CN2C=CN=C2N=C1 K67544 [1,0,0,0,0,0|3,0,0]=4 105 B10R2.7 C1=CN2N=CC=C2N=C1 P12421 [1,0,0,0,0,0|3,0,0]=4 106 B10R2.7 C1=CN2N=CN=C2C=N1 T61381 [1,0,0,0,0,0|3,0,0]=4 107 B10R2.7 C1=CN=C2C=CNC2=C1 A2958 [1,0,0,0,0,0|2,0,1]=4 108 B10R2.7 C1=CN=C2N=NNC2=C1 T40816 [1,0,0,0,0,0|3,0,0]=4 109 B10R2.7 C1=CN=C2NC=CC2=C1 A4765 [1,0,0,0,0,0|2,0,1]=4 110 B10R2.7 C1=CN=C2NC=NC2=N1 K40813 [1,0,0,0,0,0|3,0,0]=4 111 B10R2.7 C1=CN=C2OC=NC2=C1 X42085 [1,0,0,0,0,0|1,0,0]=2 112 B10R2.7 C1=CN=C2SC=CC2=C1 T67796 [1,0,0,0,0,0|2,1,0]=4 113 B12R2.18 BrC1=C(Br)C2=C(C=CC=C2)S1 D47321 [0,1,0,0,0,0|2,1,0]=4 114 B12R2.18 CC1=C(Br)C2=C(C=CC=C2)O1 B62060 [0,1,0,0,0,0|1,0,0]=2 115 B12R2.18 CC1=C(Br)C2=C(C=CC=C2)S1 B37673 [0,1,0,0,0,0|1,1,0]=3 116 B12R2.18 CC1=C(Br)C2=C(N=CC=C2)N1 B10560 [0,1,0,0,0,0|2,0,1]=4 117 B12R2.18 CC1=C(Br)N2N=CC=CC2=N1 B45276 [0,1,0,0,0,0|3,0,0]=4 118 B12R2.18 CC1=C(C)C2=C(C=CC=C2)N1 D68340 [0,1,0,0,0,0|1,0,1]=3 119 B12R2.18 CC1=C(I)C2=C(N=CC=C2)N1 I11087 [0,1,0,0,0,0|2,0,1]=4 120 B12R2.18 CC1=CC2=C(C=CC=C2)N1C D26007 [0,1,0,0,0,0|1,0,1]=3 121 B12R2.18 CC1=NC2=C(C=NC=C2)N1C D49210 [0,1,0,0,0,0|2,0,0]=3 122 B12R2.18 CN1C(=O)NC2=C1C=CC=C2 M48815 [0,1,0,0,0,0|2,0,1]=4 123 B12R2.18 CN1C(Cl)=NC2=C1N=CC=C2 C45298 [0,1,0,0,0,0|3,0,0]=4 124 B12R2.18 CN1C(N)=CC2=C1C=CC=C2 M38994 [0,1,0,0,0,0|2,0,1]=4 125 B12R2.18 CN1C(N)=NC2=C1C=CC=C2 M61297 [0,1,0,0,0,0|2,0,0]=3 126 B12R2.18 CN1N=C2C=CC=CC2=C1Br B14973 [0,1,0,0,0,0|2,0,0]=3 127 B12R2.18 CN1N=C2C=CC=CC2=C1I I14461 [0,1,0,0,0,0|2,0,0]=3 128 B12R2.18 C[C@H]1CC2=C(C=CC=C2)C1=O M4716 [0,1,0,0,0,0|2,0,1]=4 129 B12R2.32 BrCC1=NC2=C(C=CC=C2)O1 B48072 [0,1,0,0,0,0|0,0,0]=1 130 B12R2.32 CCC1=CC2=C(C=CC=C2)N1 E52501 [0,1,0,0,0,0|1,0,1]=3 131 B12R2.32 CCC1=NC2=C(C=CC=C2)N1 E37955 [0,1,0,0,0,0|1,0,0]=2 132 B12R2.32 CCC1=NC2=C(C=CC=C2)O1 E51753 [0,1,0,0,0,0|0,0,0]=1 133 B12R2.32 CCC1=NC2=C(C=CC=N2)O1 E48800 [0,1,0,0,0,0|1,0,0]=2 134 B12R2.32 CNC1=NC2=C(C=CC=C2)N1 M49208 [0,1,0,0,0,0|1,0,0]=2 135 B12R2.32 CNC1CC2=C(C=CC=C2)C1 M62130 [0,1,0,0,0,0|2,0,1]=4 136 B12R2.32 CSC1=NC2=C(C=CC=C2)O1 M48556 [0,1,0,0,0,0|0,0,0]=1 137 B12R2.32 CSC1=NC2=C(C=CC=C2)S1 M69659 [0,1,0,0,0,0|0,1,0]=2 138 B12R2.32 CSC1=NC2=C(C=CC=N2)O1 M45265 [0,1,0,0,0,0|1,0,0]=2 139 B12R2.32 ClCC1=CN2C=CC=CC2=N1 C3371 [0,1,0,0,0,0|2,0,0]=3 140 B12R2.32 ClCC1=NC2=C(C=CC=C2)N1 C48331 [0,1,0,0,0,0|1,0,0]=2 141 B12R2.32 ClCC1=NC2=C(C=CC=C2)O1 C48088 [0,1,0,0,0,0|0,0,0]=1 142 B12R2.32 ClCC1=NC2=C(C=CC=C2)S1 C47967 [0,1,0,0,0,0|0,1,0]=2 143 B12R2.32 N#CC1=CC2=C(C=CC=C2)N1 K50792 [0,1,0,0,0,0|1,0,2]=4 144 B12R2.32 N#CC1=CC2=C(C=CC=C2)O1 B50747 [0,1,0,0,0,0|1,0,1]=3 145 B12R2.32 N#CC1=CC2=C(C=CC=C2)S1 B50760 [0,1,0,0,0,0|1,1,1]=4 146 B12R2.32 NCC1=CC2=C(C=CC=C2)N1 K22314 [0,1,0,0,0,0|1,0,1]=3 147 B12R2.32 NCC1=CC2=CC=CN=C2N1 P27892 [0,1,0,0,0,0|2,0,1]=4 148 B12R2.32 NCC1=CN2C=CC=CC2=N1 K49626 [0,1,0,0,0,0|2,0,0]=3 149 B12R2.32 NCC1=CN2C=CC=NC2=N1 K46067 [0,1,0,0,0,0|3,0,0]=4 150 B12R2.32 NCC1=CN2C=CC=NC2=N1 K46610 [0,1,0,0,0,0|3,0,0]=4 151 B12R2.32 NCC1=NC2=C(C=CC=C2)N1 B49625 [0,1,0,0,0,0|1,0,0]=2 152 B12R2.32 NCC1=NC2=C(C=CC=C2)N1 B49689 [0,1,0,0,0,0|1,0,0]=2 153 B12R2.32 NCC1=NC2=C(C=CC=C2)N1 B9950 [0,1,0,0,0,0|1,0,0]=2 154 B12R2.32 NCC1=NC2=CC=CN=C2N1 K66392 [0,1,0,0,0,0|2,0,0]=3 155 B12R2.32 NNC1=NC2=C(C=CC=C2)N1 H46066 [0,1,0,0,0,0|2,0,0]=3 156 B12R2.32 O=CC1=CC2=C(C=CC=C2)N1 I38005 [0,1,0,0,0,0|1,0,2]=4 157 B12R2.32 O=CC1=CC2=C(C=CC=C2)O1 B50964 [0,1,0,0,0,0|1,0,1]=3 158 B12R2.32 O=CC1=CC2=C(C=CC=C2)S1 B37929 [0,1,0,0,0,0|1,1,1]=4 159 B12R2.32 O=CC1=CC2=C(C=CC=N2)O1 F10728 [0,1,0,0,0,0|2,0,1]=4 160 B12R2.32 O=CC1=NC2=C(C=CC=C2)N1 B23090 [0,1,0,0,0,0|1,0,1]=3 161 B12R2.32 O=CC1=NC2=C(C=CC=C2)S1 B9216 [0,1,0,0,0,0|0,1,1]=3 162 B12R2.32 O=CC1=NN2C=CC=CC2=N1 T44871 [0,1,0,0,0,0|2,0,1]=4 163 B12R2.32 OCC1=CC2=C(C=CC=C2)N1 M9932 [0,1,0,0,0,0|1,0,1]=3 164 B12R2.32 OCC1=CC2=C(C=CC=C2)S1 B51662 [0,1,0,0,0,0|1,1,0]=3 165 B12R2.32 OCC1=CN2C=CC=CC2=N1 I5665 [0,1,0,0,0,0|2,0,0]=3 166 B12R2.32 OCC1=NC2=C(C=CC=C2)N1 B28661 [0,1,0,0,0,0|1,0,0]=2 167 B12R2.32 OCC1=NC2=C(C=CC=C2)O1 B48459 [0,1,0,0,0,0|0,0,0]=1 168 B12R2.32 OCC1=NC2=C(C=CC=C2)S1 B69048 [0,1,0,0,0,0|0,1,0]=2 169 B12R2.32 OC[C@H]1CC2=C(C=CC=C2)N1 D15699 [0,1,0,0,0,0|1,0,2]=4 170 B12R2.32 OC[C@H]1CC2=C(C=CC=C2)O1 D49898 [0,1,0,0,0,0|1,0,1]=3 171 B12R2.95 FC1(F)OC2=C(C=CC=C2)O1 D29688 [0,1,0,0,0,0|2,0,1]=4 172 B12R2.202 CC1=C2N=C(N)NC2=CC=C1 M38358 [0,1,0,0,0,0|2,0,0]=3 173 B12R2.202 CC1=C2SC(N)=NC2=CC=C1 M48850 [0,1,0,0,0,0|1,1,0]=3 174 B12R2.202 CC1=CC2=C(Br)C=CC=C2N1 B24528 [0,1,0,0,0,0|1,0,1]=3 175 B12R2.202 CC1=CC2=C(Br)C=CN=C2N1 B14144 [0,1,0,0,0,0|2,0,1]=4 176 B12R2.202 CC1=CC2=C(C)C=CN=C2N1 D37619 [0,1,0,0,0,0|2,0,1]=4 177 B12R2.202 CC1=CC2=C(C=CN=C2Cl)S1 C4232 [0,1,0,0,0,0|2,1,0]=4 178 B12R2.202 CC1=CC2=C(C=CNC2=O)S1 M5279 [0,1,0,0,0,0|2,1,0]=4 179 B12R2.202 CC1=CC2=C(Cl)C=CN=C2N1 C12866 [0,1,0,0,0,0|2,0,1]=4 180 B12R2.202 CC1=CC2=C(N1)C(=O)NC=C2 M48819 [0,1,0,0,0,0|2,0,1]=4 181 B12R2.202 CC1=CC2=C(N1)C(Cl)=NC=C2 C14178 [0,1,0,0,0,0|2,0,1]=4 182 B12R2.202 CC1=CC2=C(O)C=CC=C2N1 M23244 [0,1,0,0,0,0|1,0,1]=3 183 B12R2.202 CC1=CC2=C(O)C=CN=C2N1 H12868 [0,1,0,0,0,0|2,0,1]=4 184 B12R2.202 CC1=CC2=CC=CC(Br)=C2C1 B10696 [0,1,0,0,0,0|2,0,0]=3 185 B12R2.202 CC1=CC2=NC=CC(Cl)=C2O1 C12674 [0,1,0,0,0,0|2,0,0]=3 186 B12R2.202 CC1=CC2=NC=CC(Cl)=C2S1 C7657 [0,1,0,0,0,0|2,1,0]=4 187 B12R2.202 CC1=CC=CC2=C1CC(=O)N2 M51751 [0,1,0,0,0,0|2,0,1]=4 188 B12R2.202 CC1=CC=CC2=C1N=C(Cl)S2 C61107 [0,1,0,0,0,0|1,1,0]=3 189 B12R2.202 CC1=CC=CC2=C1N=C(N)S2 M68687 [0,1,0,0,0,0|1,1,0]=3 190 B12R2.202 CC1=CC=CC2=C1NC(=S)S2 M48563 [0,1,0,0,0,0|1,1,1]=4 191 B12R2.202 CC1=CC=CC2=C1NC(C)=N2 D63300 [0,1,0,0,0,0|1,0,0]=2 192 B12R2.202 CC1=CC=CC2=C1NC(Cl)=N2 C48336 [0,1,0,0,0,0|2,0,0]=3 193 B12R2.202 CC1=CN2C=CC=C(N)C2=N1 M49627 [0,1,0,0,0,0|2,0,0]=3 194 B12R2.202 CC1=CN2C=CC=C(O)C2=N1 M48811 [0,1,0,0,0,0|2,0,0]=3 195 B12R2.202 CC1=CN2C=CN=C(Cl)C2=N1 C11390 [0,1,0,0,0,0|3,0,0]=4 196 B12R2.202 CC1=NC2=C(Br)C=CC=C2N1 B48311 [0,1,0,0,0,0|1,0,0]=2 197 B12R2.202 CC1=NC2=C(Br)C=CC=C2S1 B37098 [0,1,0,0,0,0|0,1,0]=2 198 B12R2.202 CC1=NC2=C(F)C=CC=C2O1 F48104 [0,1,0,0,0,0|0,0,0]=1 199 B12R2.202 CC1=NC2=C(N=CN=C2Cl)N1 C42497 [0,1,0,0,0,0|3,0,0]=4 200 B12R2.202 CC1=NC2=CN=CC(Br)=C2O1 B44832 [0,1,0,0,0,0|1,0,0]=2 201 B12R2.202 CC1=NC2=CN=CC(Cl)=C2N1 C45297 [0,1,0,0,0,0|2,0,0]=3 202 B12R2.202 CN1C=C2C(Br)=CC=CC2=N1 B2924 [0,1,0,0,0,0|2,0,0]=3 203 B12R2.202 CN1C=C2C(Br)=CN=CC2=N1 B61700 [0,1,0,0,0,0|3,0,0]=4 204 B12R2.202 CN1C=C2C(N)=CC=CC2=N1 A2915 [0,1,0,0,0,0|2,0,0]=3 205 B12R2.202 CN1C=C2C(O)=CC=CC2=N1 M48796 [0,1,0,0,0,0|2,0,0]=3 206 B12R2.202 CN1C=C2C=CC=C(Br)C2=N1 B2927 [0,1,0,0,0,0|2,0,0]=3 207 B12R2.202 CN1C=C2C=CC=C(I)C2=N1 I12542 [0,1,0,0,0,0|2,0,0]=3 208 B12R2.202 CN1C=C2C=CC=C(N)C2=N1 A2919 [0,1,0,0,0,0|2,0,0]=3 209 B12R2.202 CN1C=C2C=CN=C(Cl)C2=N1 C45301 [0,1,0,0,0,0|3,0,0]=4 210 B12R2.202 ClC1=CC=CC2=C1N=C(Br)S2 B44098 [0,1,0,0,0,0|1,1,0]=3 211 B12R2.202 ClC1=CC=CC2=C1SC(Br)=C2 B63280 [0,1,0,0,0,0|2,1,0]=4 212 B12R2.202 ClC1=CC=CC2=C1SC(Br)=N2 B44100 [0,1,0,0,0,0|1,1,0]=3 213 B12R2.202 ClC1=CC=NC2=C1NC(Br)=N2 B19420 [0,1,0,0,0,0|3,0,0]=4 214 B12R2.202 ClC1=CC=NC2=C1OC(I)=C2 C12675 [0,1,0,0,0,0|3,0,0]=4 215 B12R2.202 ClC1=CN=CC2=C1N=C(Br)S2 B8749 [0,1,0,0,0,0|2,1,0]=4 216 B12R2.202 ClC1=NC2=C(Br)C=CC=C2S1 B44101 [0,1,0,0,0,0|1,1,0]=3 217 B12R2.202 ClC1=NC2=C(Cl)C=CC=C2S1 D44117 [0,1,0,0,0,0|1,1,0]=3 218 B12R2.202 ClC1=NC2=C(Cl)C=NC=C2S1 D9043 [0,1,0,0,0,0|2,1,0]=4 219 B12R2.202 ClC1=NC2=CC=CC(Br)=C2S1 B44102 [0,1,0,0,0,0|1,1,0]=3 220 B12R2.202 ClC1=NC2=CC=CC(Cl)=C2S1 D44118 [0,1,0,0,0,0|1,1,0]=3 221 B12R2.202 FC1=CC=CC2=C1N=C(Cl)S2 C69490 [0,1,0,0,0,0|1,1,0]=3 222 B12R2.202 FC1=CC=CC2=C1NC(=S)S2 F61525 [0,1,0,0,0,0|1,1,1]=4 223 B12R2.202 FC1=CC=CC2=C1NC(Cl)=N2 C44332 [0,1,0,0,0,0|2,0,0]=3 224 B12R2.202 NC1=CC2=C(Br)C=CC=C2S1 A12712 [0,1,0,0,0,0|2,1,0]=4 225 B12R2.202 NC1=CC2=CC=CC(Br)=C2S1 A10456 [0,1,0,0,0,0|2,1,0]=4 226 B12R2.202 NC1=CC=CC2=C1NC(=O)C2 A48794 [0,1,0,0,0,0|2,0,1]=4 227 B12R2.202 NC1=CC=CC2=C1OC(=O)N2 A45229 [0,1,0,0,0,0|1,0,1]=3 228 B12R2.202 NC1=NC2=C(Br)C=CC=C2N1 B32443 [0,1,0,0,0,0|2,0,0]=3 229 B12R2.202 NC1=NC2=C(Br)C=CC=C2O1 B44825 [0,1,0,0,0,0|1,0,0]=2 230 B12R2.202 NC1=NC2=C(Br)C=CC=C2S1 B44762 [0,1,0,0,0,0|1,1,0]=3 231 B12R2.202 NC1=NC2=C(C=CC=C2F)S1 F22218 [0,1,0,0,0,0|1,1,0]=3 232 B12R2.202 NC1=NC2=C(C=CC=C2O)O1 H45228 [0,1,0,0,0,0|1,0,0]=2 233 B12R2.202 NC1=NC2=C(C=CC=C2O)S1 A15834 [0,1,0,0,0,0|1,1,0]=3 234 B12R2.202 NC1=NC2=C(Cl)C=CC=C2S1 A44786 [0,1,0,0,0,0|1,1,0]=3 235 B12R2.202 NC1=NC2=CC=CC(Br)=C2O1 B44827 [0,1,0,0,0,0|1,0,0]=2 236 B12R2.202 NC1=NC2=CC=CC(Cl)=C2S1 C44789 [0,1,0,0,0,0|1,1,0]=3 237 B12R2.202 NC1=NC2=CC=CC(O)=C2S1 A24625 [0,1,0,0,0,0|1,1,0]=3 238 B12R2.202 NC1=NN2C(Br)=CC=CC2=C1 B20129 [0,1,0,0,0,0|3,0,0]=4 239 B12R2.202 NC1=NN2C(Br)=CC=CC2=N1 B6908 [0,1,0,0,0,0|3,0,0]=4 240 B12R2.202 NC1=NN2C=CC=C(Br)C2=C1 P13815 [0,1,0,0,0,0|3,0,0]=4 241 B12R2.202 NC1=NN2C=CC=C(Br)C2=N1 B6905 [0,1,0,0,0,0|3,0,0]=4 242 B12R2.202 O=C1CC2=C(Br)C=CC=C2N1 B2074 [0,1,0,0,0,0|2,0,1]=4 243 B12R2.202 O=C1CC2=C(C=CC=C2O)N1 H48455 [0,1,0,0,0,0|2,0,1]=4 244 B12R2.202 O=C1CC2=C(Cl)C=CC=C2N1 C22284 [0,1,0,0,0,0|2,0,1]=4 245 B12R2.202 O=C1CC2=C(F)C=CC=C2N1 F48095 [0,1,0,0,0,0|2,0,1]=4 246 B12R2.202 O=C1CC2=CC=CC(Br)=C2C1 B10978 [0,1,0,0,0,0|3,0,0]=4 247 B12R2.202 O=C1CC2=CC=CC(Br)=C2N1 B12492 [0,1,0,0,0,0|2,0,1]=4 248 B12R2.202 O=C1CC2=CC=CC(F)=C2N1 F48096 [0,1,0,0,0,0|2,0,1]=4 249 B12R2.202 O=C1NC2=C(C=CC=C2F)S1 F44555 [0,1,0,0,0,0|1,1,1]=4 250 B12R2.202 O=C1NC2=C(Cl)C=CC=C2S1 C44540 [0,1,0,0,0,0|1,1,1]=4 251 B12R2.202 O=C1NC2=CC=CC(Br)=C2O1 B44448 [0,1,0,0,0,0|1,0,1]=3 252 B12R2.202 O=C1NC2=CC=CC(Br)=C2S1 B44525 [0,1,0,0,0,0|1,1,1]=4 253 B12R2.202 O=C1NC2=CC=CC(Cl)=C2S1 C44541 [0,1,0,0,0,0|1,1,1]=4 254 B12R2.202 O=C1NC2=CC=CC(F)=C2N1 F38220 [0,1,0,0,0,0|2,0,1]=4 255 B12R2.202 S=C1NC2=CC=CC(Cl)=C2O1 C62263 [0,1,0,0,0,0|1,0,1]=3 256 B12R2.202 S=C1NC2=CC=CC(Cl)=C2S1 C44434 [0,1,0,0,0,0|1,1,1]=4 257 B12R2.202 SC1=NC2=C(Cl)C=CC=C2S1 C44432 [0,1,0,0,0,0|1,1,0]=3 258 B12R2.606 BrC1=CC2=C(C=C1)N=C(Br)S2 D62996 [0,1,0,0,0,0|1,1,0]=3 259 B12R2.606 BrC1=CC2=C(C=C1)SC(Br)=N2 D44090 [0,1,0,0,0,0|1,1,0]=3 260 B12R2.606 BrC1=CN2N=C(Br)N=C2C=C1 D63772 [0,1,0,0,0,0|3,0,0]=4 261 B12R2.606 CC1=CC2=C(C=C(Br)C=C2)N1 B24529 [0,1,0,0,0,0|1,0,1]=3 262 B12R2.606 CC1=CC2=C(C=C(Cl)C=C2)N1 C24527 [0,1,0,0,0,0|1,0,1]=3 263 B12R2.606 CC1=CC2=C(C=C(F)C=C2)N1 F23531 [0,1,0,0,0,0|1,0,1]=3 264 B12R2.606 CC1=CC2=C(C=C(I)C=C2)N1 I18181 [0,1,0,0,0,0|1,0,1]=3 265 B12R2.606 CC1=CC2=C(C=C(N)C=C2)N1 M13891 [0,1,0,0,0,0|1,0,1]=3 266 B12R2.606 CC1=CC2=C(C=C(O)C=C2)N1 M24189 [0,1,0,0,0,0|1,0,1]=3 267 B12R2.606 CC1=CC2=C(C=C(O)C=C2)O1 M63165 [0,1,0,0,0,0|1,0,0]=2 268 B12R2.606 CC1=CC2=C(C=C1)C=C(C)N2 D52503 [0,1,0,0,0,0|1,0,1]=3 269 B12R2.606 CC1=CC2=C(C=C1)CC(=O)N2 M24288 [0,1,0,0,0,0|2,0,1]=4 270 B12R2.606 CC1=CC2=C(C=C1)N=C(Cl)S2 C62387 [0,1,0,0,0,0|1,1,0]=3 271 B12R2.606 CC1=CC2=C(C=C1)N=C(N)S2 A48849 [0,1,0,0,0,0|1,1,0]=3 272 B12R2.606 CC1=CC2=C(C=C1)N=C(S)S2 M48562 [0,1,0,0,0,0|1,1,0]=3 273 B12R2.606 CC1=CC2=C(C=C1)NC(=O)C2 M51752 [0,1,0,0,0,0|2,0,1]=4 274 B12R2.606 CC1=CC2=C(C=C1)NC(=O)N2 M48816 [0,1,0,0,0,0|2,0,1]=4 275 B12R2.606 CC1=CC2=C(C=C1)NC(=S)N2 M68688 [0,1,0,0,0,0|2,0,1]=4 276 B12R2.606 CC1=CC2=C(C=C1)NC(C)=C2 D17352 [0,1,0,0,0,0|1,0,1]=3 277 B12R2.606 CC1=CC2=C(C=C1)OC(=S)N2 M48557 [0,1,0,0,0,0|1,0,1]=3 278 B12R2.606 CC1=CC2=C(C=C1)OC(C)=N2 D51756 [0,1,0,0,0,0|0,0,0]=1 279 B12R2.606 CC1=CC2=C(C=C1)OC(N)=N2 M48797 [0,1,0,0,0,0|1,0,0]=2 280 B12R2.606 CC1=CC2=C(C=C1)SC(C)=N2 D62175 [0,1,0,0,0,0|0,1,0]=2 281 B12R2.606 CC1=CC2=C(C=C1)SC(N)=N2 A48848 [0,1,0,0,0,0|1,1,0]=3 282 B12R2.606 CC1=CC2=C(C=CC(Br)=C2)N1 B16417 [0,1,0,0,0,0|1,0,1]=3 283 B12R2.606 CC1=CC2=C(C=CC(Cl)=C2)N1 C16418 [0,1,0,0,0,0|1,0,1]=3 284 B12R2.606 CC1=CC2=C(C=CC(Cl)=N2)N1 C15671 [0,1,0,0,0,0|2,0,1]=4 285 B12R2.606 CC1=CC2=C(C=CC(F)=C2)N1 F12894 [0,1,0,0,0,0|1,0,1]=3 286 B12R2.606 CC1=CC2=C(C=CC(O)=C2)N1 M18691 [0,1,0,0,0,0|1,0,1]=3 287 B12R2.606 CC1=CC2=C(N=C1)N=C(S)S2 M45270 [0,1,0,0,0,0|2,1,0]=4 288 B12R2.606 CC1=CC2=CC(Br)=CN=C2N1 B0709 [0,1,0,0,0,0|2,0,1]=4 289 B12R2.606 CC1=CC2=CC(Cl)=NC=C2N1 C26351 [0,1,0,0,0,0|2,0,1]=4 290 B12R2.606 CC1=CC2=CC(N)=CN=C2N1 A1743 [0,1,0,0,0,0|2,0,1]=4 291 B12R2.606 CC1=CC2=NC=C(Br)C=C2N1 B48324 [0,1,0,0,0,0|2,0,1]=4 292 B12R2.606 CC1=CN2C=C(Br)C=CC2=N1 B4923 [0,1,0,0,0,0|2,0,0]=3 293 B12R2.606 CC1=CN2C=C(Br)C=NC2=N1 B45279 [0,1,0,0,0,0|3,0,0]=4 294 B12R2.606 CC1=CN2C=C(Br)N=CC2=N1 B45275 [0,1,0,0,0,0|3,0,0]=4 295 B12R2.606 CC1=CN2C=C(N)C=CC2=N1 M61197 [0,1,0,0,0,0|2,0,0]=3 296 B12R2.606 CC1=CN2N=C(Cl)C=CC2=N1 C20031 [0,1,0,0,0,0|3,0,0]=4 297 B12R2.606 CC1=CN2N=C(N)C=CC2=N1 M20375 [0,1,0,0,0,0|3,0,0]=4 298 B12R2.606 CC1=NC2=C(C=C(Br)C=C2)O1 B48073 [0,1,0,0,0,0|0,0,0]=1 299 B12R2.606 CC1=NC2=C(C=C(Br)C=C2)S1 B24105 [0,1,0,0,0,0|0,1,0]=2 300 B12R2.606 CC1=NC2=C(C=C(Cl)C=C2)O1 C48089 [0,1,0,0,0,0|0,0,0]=1 301 B12R2.606 CC1=NC2=C(C=C(Cl)C=C2)S1 C47966 [0,1,0,0,0,0|0,1,0]=2 302 B12R2.606 CC1=NC2=C(C=C(F)C=C2)S1 F47982 [0,1,0,0,0,0|0,1,0]=2 303 B12R2.606 CC1=NC2=C(C=C(N)C=C2)O1 M48804 [0,1,0,0,0,0|0,0,0]=1 304 B12R2.606 CC1=NC2=C(C=CC(Br)=C2)N1 B38068 [0,1,0,0,0,0|1,0,0]=2 305 B12R2.606 CC1=NC2=C(C=CC(Br)=C2)O1 B38129 [0,1,0,0,0,0|0,0,0]=1 306 B12R2.606 CC1=NC2=C(C=CC(Br)=C2)S1 B38040 [0,1,0,0,0,0|0,1,0]=2 307 B12R2.606 CC1=NC2=C(C=CC(F)=C2)N1 F48344 [0,1,0,0,0,0|1,0,0]=2 308 B12R2.606 CC1=NC2=C(C=CC(F)=C2)O1 F48105 [0,1,0,0,0,0|0,0,0]=1 309 B12R2.606 CC1=NC2=C(C=CC(I)=C2)N1 K48348 [0,1,0,0,0,0|1,0,0]=2 310 B12R2.606 CC1=NC2=C(C=CC(N)=C2)N1 M49203 [0,1,0,0,0,0|1,0,0]=2 311 B12R2.606 CC1=NC2=C(C=CC(N)=C2)N1 M49624 [0,1,0,0,0,0|1,0,0]=2 312 B12R2.606 CC1=NC2=C(C=CC(N)=C2)O1 M61203 [0,1,0,0,0,0|0,0,0]=1 313 B12R2.606 CC1=NC2=C(C=CC(N)=C2)S1 M69049 [0,1,0,0,0,0|0,1,0]=2 314 B12R2.606 CC1=NC2=C(C=CC(O)=C2)N1 M48808 [0,1,0,0,0,0|1,0,0]=2 315 B12R2.606 CC1=NC2=C(C=CC(O)=C2)O1 M38254 [0,1,0,0,0,0|0,0,0]=1 316 B12R2.606 CC1=NC2=C(N=C(Br)C=C2)N1 B45281 [0,1,0,0,0,0|2,0,0]=3 317 B12R2.606 CC1=NC2=C(N=C(Cl)C=C2)N1 C38874 [0,1,0,0,0,0|2,0,0]=3 318 B12R2.606 CC1=NC2=C(N=C(Cl)N=C2)N1 C14909 [0,1,0,0,0,0|3,0,0]=4 319 B12R2.606 CC1=NC2=CC(Br)=CN=C2N1 B12516 [0,1,0,0,0,0|2,0,0]=3 320 B12R2.606 CC1=NC2=CC(Br)=CN=C2O1 B32438 [0,1,0,0,0,0|1,0,0]=2 321 B12R2.606 CC1=NC2=CC(Br)=CN=C2S1 B44765 [0,1,0,0,0,0|1,1,0]=3 322 B12R2.606 CC1=NC2=NC=C(Br)C=C2O1 B39013 [0,1,0,0,0,0|1,0,0]=2 323 B12R2.606 CC1=NN2C=C(Br)C=CC2=N1 B45285 [0,1,0,0,0,0|2,0,0]=3 324 B12R2.606 CC1=NN2C=C(Br)C=NC2=C1 B15388 [0,1,0,0,0,0|3,0,0]=4 325 B12R2.606 CC1=NN2C=CC(Br)=CC2=N1 B45286 [0,1,0,0,0,0|2,0,0]=3 326 B12R2.606 CC1=NN2C=CC(Cl)=NC2=C1 C13922 [0,1,0,0,0,0|3,0,0]=4 327 B12R2.606 CN1C=C2C=C(Br)C=CC2=N1 B2925 [0,1,0,0,0,0|2,0,0]=3 328 B12R2.606 CN1C=C2C=C(Br)C=NC2=N1 B8194 [0,1,0,0,0,0|3,0,0]=4 329 B12R2.606 CN1C=C2C=C(Cl)C=CC2=N1 C9582 [0,1,0,0,0,0|2,0,0]=3 330 B12R2.606 CN1C=C2C=C(Cl)N=CC2=N1 C61699 [0,1,0,0,0,0|3,0,0]=4 331 B12R2.606 CN1C=C2C=C(I)C=CC2=N1 I12539 [0,1,0,0,0,0|2,0,0]=3 332 B12R2.606 CN1C=C2C=C(N)C=CC2=N1 A2916 [0,1,0,0,0,0|2,0,0]=3 333 B12R2.606 CN1C=C2C=C(N)C=NC2=N1 A14387 [0,1,0,0,0,0|3,0,0]=4 334 B12R2.606 CN1C=C2C=CC(Br)=CC2=N1 B2926 [0,1,0,0,0,0|2,0,0]=3 335 B12R2.606 CN1C=C2C=CC(I)=CC2=N1 I12541 [0,1,0,0,0,0|2,0,0]=3 336 B12R2.606 CN1C=C2C=CC(N)=CC2=N1 A2918 [0,1,0,0,0,0|2,0,0]=3 337 B12R2.606 CN1CC2=C(C=C(N)C=C2)C1 M52247 [0,1,0,0,0,0|3,0,0]=4 338 B12R2.606 C[C@H]1CC2=C(C=CC(F)=C2)N1 F38745 [0,1,0,0,0,0|1,0,2]=4 339 B12R2.606 ClC1=CC2=C(C=C1)N=C(Br)N2 B44297 [0,1,0,0,0,0|2,0,0]=3 340 B12R2.606 ClC1=CC2=C(C=C1)N=C(Br)S2 B38002 [0,1,0,0,0,0|1,1,0]=3 341 B12R2.606 ClC1=CC2=C(C=C1)N=C(Cl)O2 D44181 [0,1,0,0,0,0|1,0,0]=2 342 B12R2.606 ClC1=CC2=C(C=C1)N=C(Cl)S2 D36698 [0,1,0,0,0,0|1,1,0]=3 343 B12R2.606 ClC1=CC2=C(C=C1)NC(I)=C2 C47699 [0,1,0,0,0,0|2,0,1]=4 344 B12R2.606 ClC1=CC2=C(C=C1)OC(Cl)=N2 D13938 [0,1,0,0,0,0|1,0,0]=2 345 B12R2.606 ClC1=CC2=C(C=C1)SC(Br)=N2 B44099 [0,1,0,0,0,0|1,1,0]=3 346 B12R2.606 ClC1=CC2=C(C=C1)SC(Cl)=N2 D38039 [0,1,0,0,0,0|1,1,0]=3 347 B12R2.606 ClC1=CC2=NC(Br)=CN2C=C1 B63722 [0,1,0,0,0,0|3,0,0]=4 348 B12R2.606 ClC1=CN2C=C(Br)C=CC2=N1 B44299 [0,1,0,0,0,0|3,0,0]=4 349 B12R2.606 ClC1=CN2N=C(Br)C=C2C=C1 B14643 [0,1,0,0,0,0|3,0,0]=4 350 B12R2.606 ClC1=NC2=C(C=C(Br)C=C2)S1 B9451 [0,1,0,0,0,0|1,1,0]=3 351 B12R2.606 ClC1=NC2=C(C=CC(Br)=C2)O1 B37658 [0,1,0,0,0,0|1,0,0]=2 352 B12R2.606 ClC1=NC2=C(C=CC(Br)=C2)S1 B60537 [0,1,0,0,0,0|1,1,0]=3 353 B12R2.606 ClC1=NC2=C(C=CC(I)=C2)N1 C5322 [0,1,0,0,0,0|2,0,0]=3 354 B12R2.606 FC1=CC2=C(C=C1)N=C(Br)S2 B44112 [0,1,0,0,0,0|1,1,0]=3 355 B12R2.606 FC1=CC2=C(C=C1)N=C(Cl)N2 C37507 [0,1,0,0,0,0|2,0,0]=3 356 B12R2.606 FC1=CC2=C(C=C1)N=C(Cl)S2 C44128 [0,1,0,0,0,0|1,1,0]=3 357 B12R2.606 FC1=CC2=C(C=C1)NC(=S)N2 F44802 [0,1,0,0,0,0|2,0,1]=4 358 B12R2.606 FC1=CC2=C(C=C1)NC(=S)S2 F44440 [0,1,0,0,0,0|1,1,1]=4 359 B12R2.606 FC1=CC2=C(C=C1)OC(S)=N2 F44554 [0,1,0,0,0,0|1,0,0]=2 360 B12R2.606 FC1=CC2=C(C=C1)SC(Cl)=N2 C44127 [0,1,0,0,0,0|1,1,0]=3 361 B12R2.606 FC1=CC2=C(C=C1)SC(S)=N2 F44439 [0,1,0,0,0,0|1,1,0]=3 362 B12R2.606 FC1=CN2C=C(Br)N=C2C=C1 B44311 [0,1,0,0,0,0|3,0,0]=4 363 B12R2.606 NC1=CC2=C(C=C(Br)C=C2)S1 B10455 [0,1,0,0,0,0|2,1,0]=4 364 B12R2.606 NC1=CC2=C(C=C1)CC(=O)N2 A12202 [0,1,0,0,0,0|2,0,1]=4 365 B12R2.606 NC1=CC2=C(C=C1)N=C(Cl)S2 C44788 [0,1,0,0,0,0|1,1,0]=3 366 B12R2.606 NC1=CC2=C(C=C1)N=C(O)O2 A62037 [0,1,0,0,0,0|1,0,0]=2 367 B12R2.606 NC1=CC2=C(C=C1)NC(=O)C2 A0306 [0,1,0,0,0,0|2,0,1]=4 368 B12R2.606 NC1=CC2=C(C=C1)NC(=O)C2 A49612 [0,1,0,0,0,0|2,0,1]=4 369 B12R2.606 NC1=CC2=C(C=C1)NC(=O)N2 A69233 [0,1,0,0,0,0|2,0,1]=4 370 B12R2.606 NC1=CC2=C(C=C1)NC(=O)S2 A45264 [0,1,0,0,0,0|1,1,1]=4 371 B12R2.606 NC1=CC2=C(C=C1)OC(=O)C2 A48458 [0,1,0,0,0,0|2,0,0]=3 372 B12R2.606 NC1=CC2=C(C=C1)SC(Cl)=N2 A44787 [0,1,0,0,0,0|1,1,0]=3 373 B12R2.606 NC1=CC2=C(C=CC(Br)=C2)S1 A10454 [0,1,0,0,0,0|2,1,0]=4 374 B12R2.606 NC1=CN2C=C(Cl)C=CC2=N1 C15949 [0,1,0,0,0,0|3,0,0]=4 375 B12R2.606 NC1=CN2C=C(I)C=CC2=N1 A1641 [0,1,0,0,0,0|3,0,0]=4 376 B12R2.606 NC1=NC2=C(C=C(Br)C=C2)O1 A44824 [0,1,0,0,0,0|1,0,0]=2 377 B12R2.606 NC1=NC2=C(C=C(Br)C=C2)S1 A9675 [0,1,0,0,0,0|1,1,0]=3 378 B12R2.606 NC1=NC2=C(C=C(Cl)C=C2)O1 A44834 [0,1,0,0,0,0|1,0,0]=2 379 B12R2.606 NC1=NC2=C(C=C(Cl)C=C2)S1 C39353 [0,1,0,0,0,0|1,1,0]=3 380 B12R2.606 NC1=NC2=C(C=C(F)C=C2)S1 F23205 [0,1,0,0,0,0|1,1,0]=3 381 B12R2.606 NC1=NC2=C(C=C(O)C=C2)S1 A9509 [0,1,0,0,0,0|1,1,0]=3 382 B12R2.606 NC1=NC2=C(C=CC(=O)N2)S1 A42489 [0,1,0,0,0,0|2,1,0]=4 383 B12R2.606 NC1=NC2=C(C=CC(Br)=C2)N1 B45273 [0,1,0,0,0,0|2,0,0]=3 384 B12R2.606 NC1=NC2=C(C=CC(Br)=C2)O1 B44826 [0,1,0,0,0,0|1,0,0]=2 385 B12R2.606 NC1=NC2=C(C=CC(Br)=C2)S1 A38142 [0,1,0,0,0,0|1,1,0]=3 386 B12R2.606 NC1=NC2=C(C=CC(Cl)=C2)S1 A69174 [0,1,0,0,0,0|1,1,0]=3 387 B12R2.606 NC1=NC2=C(C=CC(Cl)=N2)S1 C37501 [0,1,0,0,0,0|2,1,0]=4 388 B12R2.606 NC1=NC2=C(C=CC(F)=C2)S1 A22219 [0,1,0,0,0,0|1,1,0]=3 389 B12R2.606 NC1=NC2=C(C=CC(F)=N2)S1 F42166 [0,1,0,0,0,0|2,1,0]=4 390 B12R2.606 NC1=NC2=C(N=C(Cl)C=C2)S1 C62774 [0,1,0,0,0,0|2,1,0]=4 391 B12R2.606 NC1=NC2=CC(Br)=CN=C2S1 A42152 [0,1,0,0,0,0|2,1,0]=4 392 B12R2.606 NC1=NN2C=C(Br)C=CC2=N1 B6907 [0,1,0,0,0,0|3,0,0]=4 393 B12R2.606 NC1=NN2C=C(Cl)C=CC2=N1 C27757 [0,1,0,0,0,0|3,0,0]=4 394 B12R2.606 NC1=NN2C=C(O)C=CC2=N1 A43428 [0,1,0,0,0,0|3,0,0]=4 395 B12R2.606 NC1=NN2C=CC(Br)=CC2=N1 B6906 [0,1,0,0,0,0|3,0,0]=4 396 B12R2.606 O=C1CC2=C(C=C(Br)C=C2)C1 B51311 [0,1,0,0,0,0|3,0,0]=4 397 B12R2.606 O=C1CC2=C(C=C(Br)C=C2)N1 B9533 [0,1,0,0,0,0|2,0,1]=4 398 B12R2.606 O=C1CC2=C(C=C(Cl)C=C2)C1 C51319 [0,1,0,0,0,0|3,0,0]=4 399 B12R2.606 O=C1CC2=C(C=C(Cl)C=C2)N1 C24287 [0,1,0,0,0,0|2,0,1]=4 400 B12R2.606 O=C1CC2=C(C=C(F)C=C2)N1 F24289 [0,1,0,0,0,0|2,0,1]=4 401 B12R2.606 O=C1CC2=C(C=C(I)C=C2)N1 K61888 [0,1,0,0,0,0|2,0,1]=4 402 B12R2.606 O=C1CC2=C(C=CC(Br)=C2)N1 B0214 [0,1,0,0,0,0|2,0,1]=4 403 B12R2.606 O=C1CC2=C(C=CC(F)=C2)N1 F28486 [0,1,0,0,0,0|2,0,1]=4 404 B12R2.606 O=C1NC2=C(C=C(Br)C=C2)N1 B36673 [0,1,0,0,0,0|2,0,1]=4 405 B12R2.606 O=C1NC2=C(C=C(Br)C=C2)O1 B69565 [0,1,0,0,0,0|1,0,1]=3 406 B12R2.606 O=C1NC2=C(C=C(Br)C=C2)S1 B44524 [0,1,0,0,0,0|1,1,1]=4 407 B12R2.606 O=C1NC2=C(C=C(Cl)C=C2)N1 C69352 [0,1,0,0,0,0|2,0,1]=4 408 B12R2.606 O=C1NC2=C(C=C(Cl)C=C2)S1 C38265 [0,1,0,0,0,0|1,1,1]=4 409 B12R2.606 O=C1NC2=C(C=C(F)C=C2)N1 F44847 [0,1,0,0,0,0|2,0,1]=4 410 B12R2.606 O=C1NC2=C(C=C(F)C=C2)S1 F44553 [0,1,0,0,0,0|1,1,1]=4 411 B12R2.606 O=C1NC2=C(C=CC(Br)=C2)O1 B44447 [0,1,0,0,0,0|1,0,1]=3 412 B12R2.606 O=C1NC2=C(C=CC(F)=C2)O1 F44453 [0,1,0,0,0,0|1,0,1]=3 413 B12R2.606 O=C1NC2=NC=C(Br)C=C2O1 B41837 [0,1,0,0,0,0|2,0,1]=4 414 B12R2.606 O=C1NC2=NC=C(Cl)C=C2O1 C41838 [0,1,0,0,0,0|2,0,1]=4 415 B12R2.606 OC1=CC2=C(C=C1)NC(=S)N2 H61361 [0,1,0,0,0,0|2,0,1]=4 416 B12R2.606 OC1=CC2=C(C=C1)SC(Cl)=N2 C44539 [0,1,0,0,0,0|1,1,0]=3 417 B12R2.606 S=C1NC2=C(C=C(Br)C=C2)N1 B44766 [0,1,0,0,0,0|2,0,1]=4 418 B12R2.606 S=C1NC2=C(C=C(Br)C=C2)S1 B44421 [0,1,0,0,0,0|1,1,1]=4 419 B12R2.606 S=C1NC2=C(C=C(Cl)C=C2)N1 C63074 [0,1,0,0,0,0|2,0,1]=4 420 B12R2.606 S=C1NC2=C(C=C(Cl)C=C2)O1 C63973 [0,1,0,0,0,0|1,0,1]=3 421 B12R2.606 S=C1NC2=C(C=CC(Br)=C2)O1 B44526 [0,1,0,0,0,0|1,0,1]=3 422 B12R2.606 S=C1NC2=C(C=CC(Cl)=C2)O1 C44542 [0,1,0,0,0,0|1,0,1]=3 423 B12R2.606 SC1=NC2=C(C=C(Cl)C=C2)S1 C44433 [0,1,0,0,0,0|1,1,0]=3 424 B12R2.606 SC1=NC2=C(C=CC(Br)=C2)S1 B44420 [0,1,0,0,0,0|1,1,0]=3 425 B10R1.4 CC1=C(N=C=S)C=CC=C1 M60893 [0,0,1,0,0,0|2,0,1]=4 426 B10R1.4 CCOC1=C(I)C=CC=N1 E46225 [0,0,1,0,0,0|2,0,1]=4 427 B10R1.4 CCOC1=C(N)C=CN=C1 E26317 [0,0,1,0,0,0|1,0,2]=4 428 B10R1.4 CCOC1=C(N)C=NC=C1 E38360 [0,0,1,0,0,0|1,0,2]=4 429 B10R1.4 CCOC1=C([Mg+])C=CC=C1 E31764 [0,0,1,0,0,0|1,0,1]=3 430 B10R1.4 CCOC1=CC=CNC1=O E46398 [0,0,1,0,0,0|2,0,1]=4 431 B10R1.4 CCSC1=C(N)C=CC=C1 E46939 [0,0,1,0,0,0|0,1,2]=4 432 B10R1.4 CNCC1=C(Br)C=CC=C1 B46737 [0,0,1,0,0,0|3,0,0]=4 433 B10R1.4 CNCC1=C(C)C=CC=C1 M50314 [0,0,1,0,0,0|3,0,0]=4 434 B10R1.4 CNCC1=C(Cl)C=CC=C1 C46748 [0,0,1,0,0,0|3,0,0]=4 435 B10R1.4 CNCC1=C(F)C=CC=C1 F67727 [0,0,1,0,0,0|3,0,0]=4 436 B10R1.4 COCC1=C(O)C=CC=C1 M69473 [0,0,1,0,0,0|2,0,0]=3 437 B10R1.4 NCCC1=C(O)C=CC=C1 A46892 [0,0,1,0,0,0|2,0,1]=4 438 B10R1.16 CC1=CC=C(C=CC=O)O1 M49076 [0,0,1,0,0,0|2,0,0]=3 439 B10R1.18 CC(=O)CC1=CC=NC=C1 P49256 [0,0,1,0,0,0|2,0,1]=4 440 B10R1.18 CC(=O)CC1=NC=CC=C1 P15826 [0,0,1,0,0,0|2,0,1]=4 441 B10R1.18 CC(=O)NC1=CC=CC=C1 A60649 [0,0,1,0,0,0|0,0,2]=3 442 B10R1.18 CC(=O)NC1=CN=CC=C1 P63567 [0,0,1,0,0,0|1,0,2]=4 443 B10R1.18 CC(C)=CC1=CC=CC=C1 M52675 [0,0,1,0,0,0|2,0,0]=3 444 B10R1.18 CC(C)NC1=CC=CC=C1 P69278 [0,0,1,0,0,0|1,0,2]=4 445 B10R1.18 CC(C)OC1=CN=CC=C1 P46891 [0,0,1,0,0,0|2,0,1]=4 446 B10R1.18 CC(C)OC1=NC=CC=C1 P46890 [0,0,1,0,0,0|2,0,1]=4 447 B10R1.18 FC(F)OC1=CC=CC=C1 D45605 [0,0,1,0,0,0|2,0,1]=4 448 B10R1.18 N=C(N)CC1=CC=CC=C1 P22633 [0,0,1,0,0,0|2,0,0]=3 449 B10R1.18 N=C(N)NC1=CC=CC=C1 P49691 [0,0,1,0,0,0|2,0,0]=3 450 B10R1.18 NC(=O)CC1=CC=CC=C1 P69172 [0,0,1,0,0,0|2,0,1]=4 451 B10R1.18 NC(=O)OC1=CC=CC=C1 P45812 [0,0,1,0,0,0|1,0,1]=3 452 B10R1.18 O=C(O)CC1=CC=NC=C1 P46551 [0,0,1,0,0,0|3,0,0]=4 453 B10R1.18 O=C(O)CC1=CN=CC=C1 P39426 [0,0,1,0,0,0|3,0,0]=4 454 B10R1.18 O=C(O)CC1=NC=CC=C1 P18563 [0,0,1,0,0,0|3,0,0]=4 455 B10R1.18 O=C(O)CC1=NC=CC=C1 P38331 [0,0,1,0,0,0|3,0,0]=4 456 B10R1.18 S=C(Cl)OC1=CC=CC=C1 P37341 [0,0,1,0,0,0|2,0,0]=3 457 B10R2.320 Br[C@H]1CC2=C1C=CC=C2 B68954 [0,0,0,0,1,0|2,0,1]=4 458 B10R2.320 O=C1CC2=C1C=CC=C2 B36727 [0,0,0,0,1,0|2,0,0]=3 459 B12R2.24 BrC1=CC2=CC=CC=C2C=C1 B39635 [0,0,0,0,0,1|3,0,0]=4 460 B12R2.24 BrC1=CC2=CC=CC=C2C=N1 B3879 [0,0,0,0,0,1|2,0,0]=3 461 B12R2.24 BrC1=CC2=CC=CC=C2N=N1 B36929 [0,0,0,0,0,1|2,0,0]=3 462 B12R2.24 BrC1=CC2=CN=CC=C2N=C1 B21923 [0,0,0,0,0,1|3,0,0]=4 463 B12R2.24 BrC1=CC2=NC=CC=C2N=C1 B9209 [0,0,0,0,0,1|3,0,0]=4 464 B12R2.24 BrC1=NC2=CC=CC=C2C=C1 B1013 [0,0,0,0,0,1|2,0,0]=3 465 B12R2.24 BrC1=NC2=CC=CC=C2C=N1 B47544 [0,0,0,0,0,1|2,0,0]=3 466 B12R2.24 BrC1=NC2=CC=CC=C2N=C1 B47545 [0,0,0,0,0,1|2,0,0]=3 467 B12R2.24 BrC1=NC2=CN=CC=C2C=C1 B47549 [0,0,0,0,0,1|3,0,0]=4 468 B12R2.24 CC1=CC2=CC=CC=C2N=C1 M68883 [0,0,0,0,0,1|1,0,0]=2 469 B12R2.24 CC1=NC2=CC=CN=C2C=C1 M7647 [0,0,0,0,0,1|2,0,0]=3 470 B12R2.24 CC1=NC2=NC=CC=C2C=C1 M20466 [0,0,0,0,0,1|2,0,0]=3 471 B12R2.24 CC1=NC2=NC=CN=C2C=C1 M48389 [0,0,0,0,0,1|3,0,0]=4 472 B12R2.24 C[C@@H]1CNC2=C(C=CC=C2)C1 M52877 [0,0,0,0,0,1|1,0,2]=4 473 B12R2.24 C[C@H]1CCC2=C(C=CC=C2)N1 T69232 [0,0,0,0,0,1|1,0,2]=4 474 B12R2.24 ClC1=CC2=CC=CC=C2C=N1 C9355 [0,0,0,0,0,1|2,0,0]=3 475 B12R2.24 ClC1=CC2=CC=CC=C2N=C1 C50850 [0,0,0,0,0,1|2,0,0]=3 476 B12R2.24 ClC1=CC2=CC=CC=C2N=N1 C47551 [0,0,0,0,0,1|2,0,0]=3 477 B12R2.24 ClC1=CC2=CC=CN=C2N=C1 C38369 [0,0,0,0,0,1|3,0,0]=4 478 B12R2.24 ClC1=NC2=CC=CC=C2C=N1 C36711 [0,0,0,0,0,1|2,0,0]=3 479 B12R2.24 ClC1=NC2=CC=CC=C2N=C1 C19911 [0,0,0,0,0,1|2,0,0]=3 480 B12R2.24 ClC1=NC2=CC=CN=C2C=C1 C13232 [0,0,0,0,0,1|3,0,0]=4 481 B12R2.24 ClC1=NC2=CC=CN=C2C=N1 C12288 [0,0,0,0,0,1|3,0,0]=4 482 B12R2.24 ClC1=NC2=CC=CN=C2N=C1 C44383 [0,0,0,0,0,1|3,0,0]=4 483 B12R2.24 ClC1=NC2=CC=NC=C2C=C1 C5441 [0,0,0,0,0,1|3,0,0]=4 484 B12R2.24 ClC1=NC2=CN=CC=C2C=C1 N11169 [0,0,0,0,0,1|3,0,0]=4 485 B12R2.24 ClC1=NC2=NC=CC=C2C=C1 C47553 [0,0,0,0,0,1|3,0,0]=4 486 B12R2.24 ClC1=NC2=NC=CC=C2C=N1 C10251 [0,0,0,0,0,1|3,0,0]=4 487 B12R2.24 ClC1=NC2=NC=CC=C2N=C1 C44384 [0,0,0,0,0,1|3,0,0]=4 488 B12R2.24 FC1=CC2=CC=CC=C2C=C1 F53501 [0,0,0,0,0,1|3,0,0]=4 489 B12R2.24 FC1=CC2=CC=CC=C2C=N1 F38996 [0,0,0,0,0,1|2,0,0]=3 490 B12R2.24 IC1=CC2=CC=CC=C2C=C1 I38722 [0,0,0,0,0,1|3,0,0]=4 491 B12R2.24 IC1=CC2=NC=CC=C2N=C1 K61674 [0,0,0,0,0,1|3,0,0]=4 492 B12R2.24 NC1=CC2=CC=CC=C2C=C1 N65553 [0,0,0,0,0,1|3,0,0]=4 493 B12R2.24 NC1=CC2=CC=CC=C2C=N1 Q51338 [0,0,0,0,0,1|2,0,0]=3 494 B12R2.24 NC1=CC2=CC=NC=C2N=C1 N64656 [0,0,0,0,0,1|3,0,0]=4 495 B12R2.24 NC1=NC2=CC=CC=C2C=C1 Q9616 [0,0,0,0,0,1|2,0,0]=3 496 B12R2.24 O=C1C=CC2=CC=CNC2=N1 N0688 [0,0,0,0,0,1|3,0,0]=4 497 B12R2.24 O=C1C=NC2=CC=CN=C2N1 P44866 [0,0,0,0,0,1|3,0,0]=4 498 B12R2.24 O=C1CC2=C(C=CC=C2)CO1 C39572 [0,0,0,0,0,1|2,0,0]=3 499 B12R2.24 O=C1CCC2=C(C=CC=C2)N1 D67464 [0,0,0,0,0,1|2,0,1]=4 500 B12R2.24 O=C1COC2=C(C=CC=C2)N1 B48457 [0,0,0,0,0,1|1,0,1]=3 501 B12R2.24 O=C1COC2=C(C=CC=C2)O1 B62111 [0,0,0,0,0,1|2,0,0]=3 502 B12R2.24 O=C1COC2=C(C=CC=N2)N1 P61000 [0,0,0,0,0,1|2,0,1]=4 503 B12R2.24 O=C1COC2=CC=CN=C2N1 P38148 [0,0,0,0,0,1|2,0,1]=4 504 B12R2.24 O=C1NCC2=C(C=CC=C2)N1 D48807 [0,0,0,0,0,1|2,0,1]=4 505 B12R2.24 OC1=CC2=CC=CC=C2C=N1 H8153 [0,0,0,0,0,1|2,0,0]=3 506 B12R2.24 OC1=CC2=CC=CC=C2N=C1 H32203 [0,0,0,0,0,1|2,0,0]=3 507 B12R2.24 [Mg+]C1=CC2=CC=CC=C2C=C1 N31715 [0,0,0,0,0,1|3,0,0]=4 508 B12R2.1041 NC1=CC2=CC=CC=CC2=C1 A53835 [0,0,0,0,0,1|3,0,0]=4 509 B9R1.8 CC#CC1=CC=CC=C1 P68608 [1,0,1,0,0,0|1,0,1]=4 510 B9R1.8 CCOC1=NC=CC=C1 E46369 [1,0,1,0,0,0|1,0,1]=4 511 B9R1.8 CNNC1=CC=CC=C1 M46459 [1,0,1,0,0,0|1,0,1]=4 512 B9R1.8 C\C=C\C1=CC=CC=C1 P62367 [1,0,1,0,0,0|1,0,0]=3 513 B9R1.8 N#COC1=CC=CC=C1 P44923 [1,0,1,0,0,0|0,0,2]=4 514 B9R1.8 O=COC1=CC=CC=C1 P45508 [1,0,1,0,0,0|1,0,0]=3 515 B9R1.8 ONCC1=CC=CC=C1 B36744 [1,0,1,0,0,0|2,0,0]=4 516 B9R1.8 ONCC1=CC=CC=C1 B46575 [1,0,1,0,0,0|2,0,0]=4 517 B9R1.8 O\N=C\C1=CC=CC=C1 B61148 [1,0,1,0,0,0|2,0,0]=4 518 B9R1.8 S=C=NC1=CC=CC=C1 T64712 [1,0,1,0,0,0|0,1,1]=4 519 B9R1.15 C#CC1=C(O)C=CC=C1 E48112 [1,0,1,0,0,0|0,0,2]=4 520 B9R1.15 C=CC1=C(Br)C=CC=C1 B48296 [1,0,1,0,0,0|1,0,1]=4 521 B9R1.15 C=CC1=C(Cl)C=CC=C1 C48303 [1,0,1,0,0,0|1,0,1]=4 522 B9R1.15 C=CC1=C(N)C=CC=C1 V36733 [1,0,1,0,0,0|0,0,2]=4 523 B9R1.15 CCC1=C(Br)C=CC=C1 B68946 [1,0,1,0,0,0|1,0,1]=4 524 B9R1.15 CCC1=C(C)C=CC=C1 E50165 [1,0,1,0,0,0|1,0,1]=4 525 B9R1.15 CCC1=C([Mg+])C=CC=C1 E31738 [1,0,1,0,0,0|1,0,1]=4 526 B9R1.15 CNC1=C(Br)C=CC=C1 B46075 [1,0,1,0,0,0|1,0,1]=4 527 B9R1.15 CNC1=C(C)C=CC=C1 D46860 [1,0,1,0,0,0|1,0,1]=4 528 B9R1.15 CNC1=C(Cl)C=CC=C1 C46094 [1,0,1,0,0,0|1,0,1]=4 529 B9R1.15 CNC1=C(F)C=CC=C1 M39414 [1,0,1,0,0,0|1,0,1]=4 530 B9R1.15 CNC1=C(N)C=CC=C1 M43618 [1,0,1,0,0,0|1,0,1]=4 531 B9R1.15 CNC1=C(N)C=CC=C1 M68814 [1,0,1,0,0,0|1,0,1]=4 532 B9R1.15 CNC1=C(O)C=CC=C1 M64657 [1,0,1,0,0,0|0,0,1]=3 533 B9R1.15 COC1=C(Br)C=CC=C1 B67901 [1,0,1,0,0,0|1,0,0]=3 534 B9R1.15 COC1=C(Br)C=CC=N1 B12855 [1,0,1,0,0,0|2,0,0]=4 535 B9R1.15 COC1=C(Br)C=CN=C1 B61080 [1,0,1,0,0,0|2,0,0]=4 536 B9R1.15 COC1=C(Br)C=NC=C1 B9421 [1,0,1,0,0,0|2,0,0]=4 537 B9R1.15 COC1=C(Cl)C=CC=N1 C42900 [1,0,1,0,0,0|2,0,0]=4 538 B9R1.15 COC1=C(Cl)C=NC=C1 C42901 [1,0,1,0,0,0|2,0,0]=4 539 B9R1.15 COC1=C(F)C=CC=N1 F42926 [1,0,1,0,0,0|2,0,0]=4 540 B9R1.15 COC1=C(I)C=CC=C1 K68160 [1,0,1,0,0,0|1,0,0]=3 541 B9R1.15 COC1=C(I)C=CC=N1 K42933 [1,0,1,0,0,0|2,0,0]=4 542 B9R1.15 COC1=C(I)C=NC=C1 K42934 [1,0,1,0,0,0|2,0,0]=4 543 B9R1.15 COC1=C(N)C=NC=C1 A43191 [1,0,1,0,0,0|1,0,1]=4 544 B9R1.15 COC1=C(N)N=CC=C1 A69248 [1,0,1,0,0,0|1,0,1]=4 545 B9R1.15 COC1=C([Mg+])C=CC=C1 M31742 [1,0,1,0,0,0|1,0,0]=3 546 B9R1.15 COC1=CC=CN=C1Br B4536 [1,0,1,0,0,0|2,0,0]=4 547 B9R1.15 COC1=CC=CN=C1Cl C24085 [1,0,1,0,0,0|2,0,0]=4 548 B9R1.15 COC1=CC=CN=C1F F42924 [1,0,1,0,0,0|2,0,0]=4 549 B9R1.15 COC1=CC=CN=C1I K62151 [1,0,1,0,0,0|2,0,0]=4 550 B9R1.15 COC1=NC=CC=C1C M46378 [1,0,1,0,0,0|2,0,0]=4 551 B9R1.15 COC1=NC=CC=C1N A12743 [1,0,1,0,0,0|1,0,1]=4 552 B9R1.15 CSC1=C([Mg+])C=CC=C1 M31770 [1,0,1,0,0,0|1,1,0]=4 553 B9R1.15 N#CC1=C(O)C=CC=C1 H68602 [1,0,1,0,0,0|1,0,1]=4 554 B9R1.15 NC1=C(C=O)C=CC=C1 A32220 [1,0,1,0,0,0|1,0,1]=4 555 B9R1.15 NCC1=C(O)C=CC=C1 A38718 [1,0,1,0,0,0|1,0,1]=4 556 B9R1.15 NCC1=C(O)C=CC=C1 A46574 [1,0,1,0,0,0|1,0,1]=4 557 B9R1.15 O=CC1=C(Br)C=CC=C1 B38420 [1,0,1,0,0,0|2,0,0]=4 558 B9R1.15 O=CC1=C(Cl)C=CC=C1 C67575 [1,0,1,0,0,0|2,0,0]=4 559 B9R1.15 O=CC1=C(F)C=CC=C1 F68099 [1,0,1,0,0,0|2,0,0]=4 560 B9R1.15 O=CC1=C(I)C=CC=C1 I0665 [1,0,1,0,0,0|2,0,0]=4 561 B9R1.15 O=CC1=C(O)C=NC=C1 H67691 [1,0,1,0,0,0|2,0,0]=4 562 B9R1.15 O=CC1=NC=CC=C1O H14795 [1,0,1,0,0,0|2,0,0]=4 563 B9R1.12 O=CC=CC1=CC=CO1 F45509 [1,0,1,0,0,0|2,0,0]=4 564 B9R1.12 O=C\C=C\C1=CC=CO1 F45510 [1,0,1,0,0,0|2,0,0]=4 565 B11R1.17 CC1=C(OCCN)C=CC=C1 M50346 [0,1,1,0,0,0|1,0,1]=4 566 B11R1.17 CCCOC1=C(O)C=CC=C1 P50279 [0,1,1,0,0,0|1,0,1]=4 567 B11R1.41 CNCC1=C(OC)C=CC=C1 M50356 [0,1,1,0,0,0|2,0,0]=4 568 B11R1.81 CCCC1=C(O)C=C(O)C=C1 P50281 [0,1,1,0,0,0|1,0,1]=4 569 B11R1.81 CCOC1=C(Cl)C=C(N)C=C1 C38144 [0,1,1,0,0,0|1,0,1]=4 570 B11R1.81 CCOC1=C(N)C=C(C)C=C1 E50337 [0,1,1,0,0,0|0,0,2]=4 571 B11R1.81 CCOC1=C(N)C=C(N)C=C1 E46634 [0,1,1,0,0,0|0,0,2]=4 572 B11R1.86 CC(=O)CC1=C(Br)C=CC=C1 B52020 [0,1,1,0,0,0|2,0,0]=4 573 B11R1.86 CC(=O)CC1=C(Cl)C=CC=C1 C52039 [0,1,1,0,0,0|2,0,0]=4 574 B11R1.86 CC(=O)CC1=C(F)C=CC=C1 F52044 [0,1,1,0,0,0|2,0,0]=4 575 B11R1.86 CC(=O)NC1=C(N)C=CC=C1 A46655 [0,1,1,0,0,0|1,0,1]=4 576 B11R1.86 CC(=O)NC1=NC=CC=C1O H46007 [0,1,1,0,0,0|1,0,1]=4 577 B11R1.86 CC(C)OC1=C(Br)C=CC=C1 B50144 [0,1,1,0,0,0|1,0,1]=4 578 B11R1.86 CC(C)OC1=C(N)C=CC=C1 P67507 [0,1,1,0,0,0|0,0,2]=4 579 B11R1.182 CCOC1=C(C)C=CC(Br)=C1 B50153 [0,1,1,0,0,0|1,0,1]=4 580 B11R1.222 CCC(=O)C1=C(O)C=CC=C1 H39530 [0,1,1,0,0,0|1,0,1]=4 581 B11R1.222 CC[C@H](N)C1=C(O)C=CC=C1 A52170 [0,1,1,0,0,0|1,0,1]=4 582 B11R1.222 CNC(=O)C1=C(O)C=CC=C1 M64518 [0,1,1,0,0,0|2,0,0]=4 583 B11R1.605 CCOC1=C(F)C=CC=C1F E49153 [0,1,1,0,0,0|1,0,1]=4 584 B11R1.20 CC(=O)CC1=CC=C(Br)C=C1 B52021 [0,1,1,0,0,0|1,0,1]=4 585 B11R1.20 CC(=O)CC1=CC=C(Cl)C=C1 C52036 [0,1,1,0,0,0|1,0,1]=4 586 B11R1.20 CC(=O)CC1=CC=C(F)C=C1 F52043 [0,1,1,0,0,0|1,0,1]=4 587 B11R1.20 CC(=O)OC1=CC=C(N)C=C1 A66708 [0,1,1,0,0,0|1,0,0]=3 588 B11R1.20 CC(=O)OC1=CC=C(O)C=C1 A64153 [0,1,1,0,0,0|1,0,0]=3 589 B11R1.20 CC(C)OC1=CC=C(N)C=C1 P50334 [0,1,1,0,0,0|1,0,1]=4 590 B11R1.20 CC(C)OC1=CC=C(O)C=C1 P60509 [0,1,1,0,0,0|1,0,1]=4 591 B11R1.20 CC1=CC=C(CC(=O)O)C=C1 T37815 [0,1,1,0,0,0|2,0,0]=4 592 B11R1.20 C[C@H](O)CC1=CC=C(F)C=C1 F36778 [0,1,1,0,0,0|1,0,1]=4 593 B11R1.20 NC1=CC=C(CC(=O)O)C=C1 A69139 [0,1,1,0,0,0|2,0,0]=4 594 B11R1.20 O=C(Cl)OC1=CC=C(F)C=C1 F44593 [0,1,1,0,0,0|2,0,0]=4 595 B11R1.20 O=C(O)CC1=CC=C(Br)C=C1 B7856 [0,1,1,0,0,0|2,0,0]=4 596 B11R1.20 O=C(O)CC1=CC=C(Cl)C=C1 C68318 [0,1,1,0,0,0|2,0,0]=4 597 B11R1.20 O=C(O)CC1=CC=C(F)C=C1 F67433 [0,1,1,0,0,0|2,0,0]=4 598 B11R1.36 C=C(C(=O)O)C1=CC=CC=C1 A51548 [0,1,1,0,0,0|2,0,0]=4 599 B11R1.36 CC(=O)C(=O)C1=CC=CC=C1 P69231 [0,1,1,0,0,0|1,0,1]=4 600 B11R1.36 C[C@@H](C(=O)O)C1=CC=CC=C1 P49885 [0,1,1,0,0,0|2,0,0]=4 601 B11R1.36 C[C@@H](O)[C@@H](N)C1=CC=CC=C1 A52178 [0,1,1,0,0,0|1,0,1]=4 602 B11R1.36 C[C@@H](O)[C@H](N)C1=CC=CC=C1 A52176 [0,1,1,0,0,0|1,0,1]=4 603 B11R1.36 C[C@H](C(=O)O)C1=CC=CC=C1 P36930 [0,1,1,0,0,0|2,0,0]=4 604 B11R1.36 C[C@H](O)[C@@H](N)C1=CC=CC=C1 A52179 [0,1,1,0,0,0|1,0,1]=4 605 B11R1.36 C[C@H](O)[C@H](N)C1=CC=CC=C1 A52177 [0,1,1,0,0,0|1,0,1]=4 606 B11R1.36 N[C@@H](C(=O)O)C1=CC=CC=C1 A68336 [0,1,1,0,0,0|2,0,0]=4 607 B11R1.36 N[C@H](C(=O)O)C1=CC=CC=C1 A69083 [0,1,1,0,0,0|2,0,0]=4 608 B11R1.36 O=C(O)[C@@H](O)C1=CC=CC=C1 M64934 [0,1,1,0,0,0|2,0,0]=4 609 B11R1.36 O=C(O)[C@H](Cl)C1=CC=CC=C1 C48589 [0,1,1,0,0,0|2,0,0]=4 610 B11R1.40 C=CC(=O)OC1=CC=CC=C1 P32241 [0,1,1,0,0,0|1,0,1]=4 611 B11R1.40 COC(=O)OC1=CC=CC=C1 M37596 [0,1,1,0,0,0|1,0,0]=3 612 B11R1.40 O=C(CBr)NC1=CC=CC=C1 B49021 [0,1,1,0,0,0|0,0,2]=4 613 B11R1.40 O=C(CBr)NC1=CC=CC=C1 B64861 [0,1,1,0,0,0|0,0,2]=4 614 B11R1.40 O=C(CBr)OC1=CC=CC=C1 P48564 [0,1,1,0,0,0|1,0,0]=3 615 B11R1.40 O=C(CCl)NC1=CC=CC=C1 C38641 [0,1,1,0,0,0|0,0,2]=4 616 B11R1.157 CC(=O)CC1=CC=CC(Br)=C1 B64129 [0,1,1,0,0,0|1,0,1]=4 617 B11R1.157 CC(=O)CC1=CC=CC(Cl)=C1 C52040 [0,1,1,0,0,0|1,0,1]=4 618 B11R1.157 CC(=O)CC1=CC=CC(F)=C1 F52045 [0,1,1,0,0,0|1,0,1]=4 619 B11R1.157 CC(=O)NC1=CC=CC(F)=C1 F2848 [0,1,1,0,0,0|0,0,2]=4 620 B11R1.157 CC(=O)OC1=CC=CC(F)=C1 F48608 [0,1,1,0,0,0|1,0,0]=3 621 B11R1.157 CC(=O)OC1=CC=CC(I)=C1 K48628 [0,1,1,0,0,0|1,0,0]=3 622 B11R1.157 CC(C)OC1=CC(O)=CC=C1 M61115 [0,1,1,0,0,0|1,0,1]=4 623 B11R1.157 CC(C)OC1=CC=CC(Br)=C1 B66115 [0,1,1,0,0,0|1,0,1]=4 624 B11R1.157 CC1=CC=CC(CC(=O)O)=C1 T49882 [0,1,1,0,0,0|2,0,0]=4 625 B11R1.157 N=C(N)NC1=CC=CC(Cl)=C1 C65282 [0,1,1,0,0,0|2,0,0]=4 626 B11R1.157 O=C(O)CC1=CC=CC(Br)=C1 B67653 [0,1,1,0,0,0|2,0,0]=4 627 B11R1.157 O=C(O)CC1=CC=CC(Cl)=C1 C68317 [0,1,1,0,0,0|2,0,0]=4 628 B11R1.157 O=C(O)CC1=CC=CC(F)=C1 F23088 [0,1,1,0,0,0|2,0,0]=4 629 B11R1.157 O=C(O)CC1=CC=CC(I)=C1 K48631 [0,1,1,0,0,0|2,0,0]=4 630 B11R2.1 BrC1=C2C=CC=CN2N=C1 B9817 [1,1,0,0,0,0|2,0,0]=4 631 B11R2.1 BrC1=CN=C2C=CC=CN12 B15558 [1,1,0,0,0,0|2,0,0]=4 632 B11R2.1 BrC1=COC2=C1C=CC=C2 B47829 [1,1,0,0,0,0|1,0,0]=3 633 B11R2.1 BrC1=CSC2=C1C=CC=C2 B47535 [1,1,0,0,0,0|1,1,0]=4 634 B11R2.1 CC1=CCC2=C1C=CC=C2 M52270 [1,1,0,0,0,0|2,0,0]=4 635 B11R2.1 CC1=CN=C2C=CC=CN12 M0025 [1,1,0,0,0,0|2,0,0]=4 636 B11R2.1 CC1=CNC2=C1C=CC=C2 M13894 [1,1,0,0,0,0|1,0,1]=4 637 B11R2.1 CC1=NOC2=C1C=CC=C2 M68053 [1,1,0,0,0,0|2,0,0]=4 638 B11R2.1 CN1C=CC2=C1C=CC=C2 M68120 [1,1,0,0,0,0|1,0,1]=4 639 B11R2.1 CN1C=NC2=C1C=CC=C2 M48776 [1,1,0,0,0,0|1,0,0]=3 640 B11R2.1 ClC1=C2C=CC=CN2N=C1 C44777 [1,1,0,0,0,0|2,0,0]=4 641 B11R2.1 ClC1=NOC2=C1C=CC=C2 C44531 [1,1,0,0,0,0|2,0,0]=4 642 B11R2.1 ClN1N=NC2=C1C=CC=C2 C5012 [1,1,0,0,0,0|2,0,0]=4 643 B11R2.1 IC1=CN=C2C=CC=CN12 K44805 [1,1,0,0,0,0|2,0,0]=4 644 B11R2.1 NC1=CN=C2C=CC=CN12 I12078 [1,1,0,0,0,0|2,0,0]=4 645 B11R2.1 NC1=NOC2=C1C=CC=C2 B45214 [1,1,0,0,0,0|2,0,0]=4 646 B11R2.1 NN1C=CC2=C1C=CC=C2 K64885 [1,1,0,0,0,0|1,0,1]=4 647 B11R2.1 O=[S@]1C=NC2=C1C=CC=C2 B45069 [1,1,0,0,0,0|0,1,0]=3 648 B11R2.1 OC1=COC2=C1N=CC=C2 F32399 [1,1,0,0,0,0|2,0,0]=4 649 B11R2.36 BrC1=CC2=C(C=C1)C=NO2 B37017 [1,1,0,0,0,0|2,0,0]=4 650 B11R2.36 BrC1=CC2=C(C=C1)CCO2 B48719 [1,1,0,0,0,0|1,0,1]=4 651 B11R2.36 BrC1=CC2=C(C=C1)N=CO2 B44517 [1,1,0,0,0,0|0,0,0]=2 652 B11R2.36 BrC1=CC2=C(C=C1)N=CS2 B44417 [1,1,0,0,0,0|0,1,0]=3 653 B11R2.36 BrC1=CC2=C(C=C1)NC=C2 B2310 [1,1,0,0,0,0|1,0,1]=4 654 B11R2.36 BrC1=CC2=C(C=C1)NC=N2 B44744 [1,1,0,0,0,0|1,0,0]=3 655 B11R2.36 BrC1=CC2=C(C=C1)NN=N2 B42142 [1,1,0,0,0,0|2,0,0]=4 656 B11R2.36 BrC1=CC2=C(C=C1)OC=C2 B47830 [1,1,0,0,0,0|1,0,0]=3 657 B11R2.36 BrC1=CC2=C(C=C1)OC=N2 B44516 [1,1,0,0,0,0|0,0,0]=2 658 B11R2.36 BrC1=CC2=C(C=C1)OCC2 B24807 [1,1,0,0,0,0|1,0,1]=4 659 B11R2.36 BrC1=CC2=C(C=C1)OCO2 B68095 [1,1,0,0,0,0|1,0,1]=4 660 B11R2.36 BrC1=CC2=C(C=C1)ON=C2 B29949 [1,1,0,0,0,0|2,0,0]=4 661 B11R2.36 BrC1=CC2=C(C=C1)SC=C2 B1871 [1,1,0,0,0,0|1,1,0]=4 662 B11R2.36 BrC1=CC2=C(C=C1)SC=N2 B44416 [1,1,0,0,0,0|0,1,0]=3 663 B11R2.36 BrC1=CC2=C(C=CN2)C=C1 B2309 [1,1,0,0,0,0|1,0,1]=4 664 B11R2.36 BrC1=CC2=C(C=CO2)C=C1 B10580 [1,1,0,0,0,0|1,0,0]=3 665 B11R2.36 BrC1=CC2=C(C=CS2)C=C1 B10904 [1,1,0,0,0,0|1,1,0]=4 666 B11R2.36 BrC1=CC2=CC=NN2C=C1 B11280 [1,1,0,0,0,0|2,0,0]=4 667 B11R2.36 BrC1=CC2=CNN=C2C=C1 B66831 [1,1,0,0,0,0|2,0,0]=4 668 B11R2.36 BrC1=CC2=NC=CN2C=C1 B5075 [1,1,0,0,0,0|2,0,0]=4 669 B11R2.36 BrC1=CC2=NC=NN2C=C1 B3335 [1,1,0,0,0,0|2,0,0]=4 670 B11R2.36 BrC1=CC2=NON=C2C=C1 B41852 [1,1,0,0,0,0|2,0,0]=4 671 B11R2.36 BrC1=CC2=NSN=C2C=C1 B41824 [1,1,0,0,0,0|2,0,0]=4 672 B11R2.36 BrC1=CN2C=CN=C2C=C1 B4941 [1,1,0,0,0,0|2,0,0]=4 673 B11R2.36 BrC1=CN2N=CC=C2C=C1 B7904 [1,1,0,0,0,0|2,0,0]=4 674 B11R2.36 BrC1=CN2N=CN=C2C=C1 B3317 [1,1,0,0,0,0|2,0,0]=4 675 B11R2.36 BrC1=CN=C2N=COC2=C1 B41849 [1,1,0,0,0,0|1,0,0]=3 676 B11R2.36 BrC1=CN=C2SC=NC2=C1 B41821 [1,1,0,0,0,0|1,1,0]=4 677 B11R2.36 BrC1=CNC2=NC=NC2=C1 B0420 [1,1,0,0,0,0|2,0,0]=4 678 B11R2.36 BrC1=NC2=C(C=C1)NC=N2 B1551 [1,1,0,0,0,0|2,0,0]=4 679 B11R2.36 BrC1=NC2=C(C=C1)OC=C2 B44519 [1,1,0,0,0,0|2,0,0]=4 680 B11R2.36 CC1=CC2=C(C=C1)N=CO2 M48438 [1,1,0,0,0,0|0,0,0]=2 681 B11R2.36 CC1=CC2=C(C=C1)NC=C2 M2329 [1,1,0,0,0,0|1,0,1]=4 682 B11R2.36 CC1=CC2=C(C=C1)OC=N2 M48441 [1,1,0,0,0,0|0,0,0]=2 683 B11R2.36 CC1=CC2=C(C=C1)OCO2 M65617 [1,1,0,0,0,0|1,0,1]=4 684 B11R2.36 CC1=CC2=C(C=C1)SC=C2 M51665 [1,1,0,0,0,0|1,1,0]=4 685 B11R2.36 CC1=CC2=C(C=CN2)C=C1 M2330 [1,1,0,0,0,0|1,0,1]=4 686 B11R2.36 CC1=CC2=C(C=CS2)C=C1 M51666 [1,1,0,0,0,0|1,1,0]=4 687 B11R2.36 CC1=CC2=NC=CN2C=C1 M61222 [1,1,0,0,0,0|2,0,0]=4 688 B11R2.36 CC1=CC2=NSN=C2C=C1 M45269 [1,1,0,0,0,0|2,0,0]=4 689 B11R2.36 CC1=CC=C2C=CN=C2N1 M25538 [1,1,0,0,0,0|2,0,0]=4 690 B11R2.36 CC1=CNC2=NC=CC2=C1 M25539 [1,1,0,0,0,0|2,0,0]=4 691 B11R2.36 CC1=NC2=C(C=C1)NC=N2 M45729 [1,1,0,0,0,0|2,0,0]=4 692 B11R2.36 ClC1=CC2=C(C=C1)CC=C2 C39035 [1,1,0,0,0,0|2,0,0]=4 693 B11R2.36 ClC1=CC2=C(C=C1)N=CN2 C44774 [1,1,0,0,0,0|1,0,0]=3 694 B11R2.36 ClC1=CC2=C(C=C1)N=CO2 C44529 [1,1,0,0,0,0|0,0,0]=2 695 B11R2.36 ClC1=CC2=C(C=C1)N=CS2 C44429 [1,1,0,0,0,0|0,1,0]=3 696 B11R2.36 ClC1=CC2=C(C=C1)NC=C2 C12131 [1,1,0,0,0,0|1,0,1]=4 697 B11R2.36 ClC1=CC2=C(C=C1)NN=N2 C39240 [1,1,0,0,0,0|2,0,0]=4 698 B11R2.36 ClC1=CC2=C(C=C1)OC=N2 C44528 [1,1,0,0,0,0|0,0,0]=2 699 B11R2.36 ClC1=CC2=C(C=C1)OCC2 C48731 [1,1,0,0,0,0|1,0,1]=4 700 B11R2.36 ClC1=CC2=C(C=C1)SC=C2 C47537 [1,1,0,0,0,0|1,1,0]=4 701 B11R2.36 ClC1=CC2=C(C=C1)SC=N2 C62198 [1,1,0,0,0,0|0,1,0]=3 702 B11R2.36 ClC1=CC2=C(C=CN2)C=C1 C4679 [1,1,0,0,0,0|1,0,1]=4 703 B11R2.36 ClC1=CC2=CC=NN2C=C1 C16568 [1,1,0,0,0,0|2,0,0]=4 704 B11R2.36 ClC1=CC2=CON=C2C=C1 C44530 [1,1,0,0,0,0|2,0,0]=4 705 B11R2.36 ClC1=CC2=NC=CN2C=C1 C0348 [1,1,0,0,0,0|2,0,0]=4 706 B11R2.36 ClC1=CC2=NSN=C2C=C1 C41831 [1,1,0,0,0,0|2,0,0]=4 707 B11R2.36 ClC1=CN2C=CN=C2C=C1 C6884 [1,1,0,0,0,0|2,0,0]=4 708 B11R2.36 ClC1=NC2=C(C=C1)N=CN2 C0083 [1,1,0,0,0,0|2,0,0]=4 709 B11R2.36 ClC1=NC2=C(C=C1)N=CS2 C62997 [1,1,0,0,0,0|1,1,0]=4 710 B11R2.36 ClC1=NC=C2N=CSC2=C1 C37491 [1,1,0,0,0,0|1,1,0]=4 711 B11R2.36 ClC1=NC=C2NC=NC2=C1 C15796 [1,1,0,0,0,0|2,0,0]=4 712 B11R2.36 ClC1=NC=C2OC=CC2=C1 C60144 [1,1,0,0,0,0|2,0,0]=4 713 B11R2.36 FC1=CC2=C(C=C1)CC=C2 F51044 [1,1,0,0,0,0|2,0,0]=4 714 B11R2.36 FC1=CC2=C(C=C1)N=CS2 F61570 [1,1,0,0,0,0|0,1,0]=3 715 B11R2.36 FC1=CC2=C(C=C1)N=NN2 F64515 [1,1,0,0,0,0|2,0,0]=4 716 B11R2.36 FC1=CC2=C(C=C1)NC=C2 F31500 [1,1,0,0,0,0|1,0,1]=4 717 B11R2.36 FC1=CC2=C(C=C1)NC=N2 F44797 [1,1,0,0,0,0|1,0,0]=3 718 B11R2.36 FC1=CC2=C(C=C1)OC=C2 F47842 [1,1,0,0,0,0|1,0,0]=3 719 B11R2.36 FC1=CC2=C(C=C1)OCC2 F62598 [1,1,0,0,0,0|1,0,1]=4 720 B11R2.36 FC1=CC2=C(C=C1)SC=N2 F44438 [1,1,0,0,0,0|0,1,0]=3 721 B11R2.36 FC1=CC2=C(C=CN2)C=C1 F2136 [1,1,0,0,0,0|1,0,1]=4 722 B11R2.36 FC1=CC2=C(C=CS2)C=C1 F38235 [1,1,0,0,0,0|1,1,0]=4 723 B11R2.36 FC1=CC2=CNN=C2C=C1 F44791 [1,1,0,0,0,0|2,0,0]=4 724 B11R2.36 FC1=CC2=NC=CN2C=C1 F18262 [1,1,0,0,0,0|2,0,0]=4 725 B11R2.36 FC1=CN2C=CN=C2C=C1 F19313 [1,1,0,0,0,0|2,0,0]=4 726 B11R2.36 IC1=CC2=C(C=C1)N=CN2 K44804 [1,1,0,0,0,0|1,0,0]=3 727 B11R2.36 IC1=CC2=C(C=C1)N=CS2 K44445 [1,1,0,0,0,0|0,1,0]=3 728 B11R2.36 IC1=CC2=C(C=C1)NC=C2 K47985 [1,1,0,0,0,0|1,0,1]=4 729 B11R2.36 IC1=CC2=C(C=C1)OCC2 I2714 [1,1,0,0,0,0|1,0,1]=4 730 B11R2.36 IC1=CC2=C(C=C1)ON=C2 K44557 [1,1,0,0,0,0|2,0,0]=4 731 B11R2.36 IC1=CC2=C(C=CN2)C=C1 I29514 [1,1,0,0,0,0|1,0,1]=4 732 B11R2.36 IC1=CC2=C(C=CO2)C=C1 I37384 [1,1,0,0,0,0|1,0,0]=3 733 B11R2.36 IC1=CC2=NC=CN2C=C1 I32244 [1,1,0,0,0,0|2,0,0]=4 734 B11R2.36 IC1=CN2C=CN=C2C=C1 I10031 [1,1,0,0,0,0|2,0,0]=4 735 B11R2.36 IC1=CN2C=CN=C2C=C1 K44807 [1,1,0,0,0,0|2,0,0]=4 736 B11R2.36 IC1=CN2N=CN=C2C=C1 K42168 [1,1,0,0,0,0|2,0,0]=4 737 B11R2.36 NC1=CC2=C(C=C1)C=NO2 B38836 [1,1,0,0,0,0|2,0,0]=4 738 B11R2.36 NC1=CC2=C(C=C1)N=CO2 B37988 [1,1,0,0,0,0|0,0,0]=2 739 B11R2.36 NC1=CC2=C(C=C1)N=CS2 A45267 [1,1,0,0,0,0|0,1,0]=3 740 B11R2.36 NC1=CC2=C(C=C1)N=NS2 B42492 [1,1,0,0,0,0|1,1,0]=4 741 B11R2.36 NC1=CC2=C(C=C1)NN=N2 B15799 [1,1,0,0,0,0|2,0,0]=4 742 B11R2.36 NC1=CC2=C(C=C1)OC=C2 B48437 [1,1,0,0,0,0|1,0,0]=3 743 B11R2.36 NC1=CC2=C(C=C1)OCC2 D49263 [1,1,0,0,0,0|1,0,1]=4 744 B11R2.36 NC1=CC2=C(C=C1)OCO2 M67396 [1,1,0,0,0,0|1,0,1]=4 745 B11R2.36 NC1=CC2=C(C=C1)ON=C2 B38213 [1,1,0,0,0,0|2,0,0]=4 746 B11R2.36 NC1=CC2=C(C=C1)SC=C2 A48561 [1,1,0,0,0,0|1,1,0]=4 747 B11R2.36 NC1=CC2=C(C=C1)SC=N2 B16648 [1,1,0,0,0,0|0,1,0]=3 748 B11R2.36 NC1=CC2=C(C=CN2)C=C1 A24110 [1,1,0,0,0,0|1,0,1]=4 749 B11R2.36 NC1=CC2=C(C=CO2)C=C1 B63796 [1,1,0,0,0,0|1,0,0]=3 750 B11R2.36 NC1=CC2=CC=NN2C=C1 P16567 [1,1,0,0,0,0|2,0,0]=4 751 B11R2.36 NC1=CC2=NC=CN2C=C1 I20748 [1,1,0,0,0,0|2,0,0]=4 752 B11R2.36 NC1=CC2=NC=CN2C=C1 I9501 [1,1,0,0,0,0|2,0,0]=4 753 B11R2.36 NC1=CC2=NSN=C2C=C1 B42491 [1,1,0,0,0,0|2,0,0]=4 754 B11R2.36 NC1=CN2C=CN=C2C=C1 K5950 [1,1,0,0,0,0|2,0,0]=4 755 B11R2.36 NC1=CN=C2N=CNC2=C1 K42831 [1,1,0,0,0,0|2,0,0]=4 756 B11R2.36 NC1=CN=C2OC=CC2=C1 A11312 [1,1,0,0,0,0|2,0,0]=4 757 B11R2.36 O=C1C=CC2=C(NC=N2)N1 D38398 [1,1,0,0,0,0|2,0,0]=4 758 B11R2.36 OC1=CC2=C(C=C1)C=NO2 B44925 [1,1,0,0,0,0|2,0,0]=4 759 B11R2.36 OC1=CC2=C(C=C1)CCO2 D49068 [1,1,0,0,0,0|1,0,1]=4 760 B11R2.36 OC1=CC2=C(C=C1)N=CS2 H37396 [1,1,0,0,0,0|0,1,0]=3 761 B11R2.36 OC1=CC2=C(C=C1)NC=C2 F2321 [1,1,0,0,0,0|1,0,1]=4 762 B11R2.36 OC1=CC2=C(C=C1)NC=N2 B67409 [1,1,0,0,0,0|1,0,0]=3 763 B11R2.36 OC1=CC2=C(C=C1)OCC2 D49067 [1,1,0,0,0,0|1,0,1]=4 764 B11R2.36 OC1=CC2=C(C=C1)SC=C2 B36743 [1,1,0,0,0,0|1,1,0]=4 765 B11R2.36 OC1=CC2=C(C=C1)SC=N2 B45070 [1,1,0,0,0,0|0,1,0]=3 766 B11R2.36 OC1=CC2=C(C=CN2)C=C1 H2141 [1,1,0,0,0,0|1,0,1]=4 767 B11R2.36 OC1=CC2=NC=CN2C=C1 K45217 [1,1,0,0,0,0|2,0,0]=4 768 B11R2.36 OC1=CC2=NC=NN2C=C1 T42474 [1,1,0,0,0,0|2,0,0]=4 769 B11R2.36 OC1=CN2C=CN=C2C=C1 K45216 [1,1,0,0,0,0|2,0,0]=4 770 B11R2.36 OC1=CNC2=NC=CC2=C1 P9657 [1,1,0,0,0,0|2,0,0]=4 771 B11R2.36 [Mg+]C1=CC2=C(C=C1)OCO2 B31763 [1,1,0,0,0,0|1,0,1]=4 772 B11R2.106 BrC1=C2C=CNC2=CC=C1 B2073 [1,1,0,0,0,0|1,0,1]=4 773 B11R2.106 BrC1=C2C=COC2=CC=C1 B10972 [1,1,0,0,0,0|1,0,0]=3 774 B11R2.106 BrC1=C2C=CSC2=CC=C1 B10436 [1,1,0,0,0,0|1,1,0]=4 775 B11R2.106 BrC1=C2C=NOC2=CC=C1 B44518 [1,1,0,0,0,0|2,0,0]=4 776 B11R2.106 BrC1=C2CC=CC2=CC=C1 B38249 [1,1,0,0,0,0|2,0,0]=4 777 B11R2.106 BrC1=C2N=CNC2=CC=C1 B25582 [1,1,0,0,0,0|1,0,0]=3 778 B11R2.106 BrC1=C2N=CNC2=CN=C1 B12555 [1,1,0,0,0,0|2,0,0]=4 779 B11R2.106 BrC1=C2N=CSC2=CC=C1 B44415 [1,1,0,0,0,0|0,1,0]=3 780 B11R2.106 BrC1=C2NC=CC2=CC=C1 B2281 [1,1,0,0,0,0|1,0,1]=4 781 B11R2.106 BrC1=C2NC=NC2=NC=C1 B1695 [1,1,0,0,0,0|2,0,0]=4 782 B11R2.106 BrC1=C2NN=NC2=CC=C1 B16359 [1,1,0,0,0,0|2,0,0]=4 783 B11R2.106 BrC1=C2OC=CC2=CC=C1 B13732 [1,1,0,0,0,0|1,0,0]=3 784 B11R2.106 BrC1=C2OC=NC2=CC=C1 B26095 [1,1,0,0,0,0|0,0,0]=2 785 B11R2.106 BrC1=C2OC=NC2=CN=C1 B41850 [1,1,0,0,0,0|1,0,0]=3 786 B11R2.106 BrC1=C2OCCC2=CC=C1 B22264 [1,1,0,0,0,0|1,0,1]=4 787 B11R2.106 BrC1=C2OCOC2=CC=C1 B24818 [1,1,0,0,0,0|1,0,1]=4 788 B11R2.106 BrC1=C2ON=CC2=CC=C1 B18242 [1,1,0,0,0,0|2,0,0]=4 789 B11R2.106 BrC1=C2SC=CC2=CC=C1 B19611 [1,1,0,0,0,0|1,1,0]=4 790 B11R2.106 BrC1=C2SC=NC2=CC=C1 B14564 [1,1,0,0,0,0|0,1,0]=3 791 B11R2.106 BrC1=CC=CC2=CNN=C12 B38806 [1,1,0,0,0,0|2,0,0]=4 792 B11R2.106 BrC1=CC=CC2=NC=CN12 B4939 [1,1,0,0,0,0|2,0,0]=4 793 B11R2.106 BrC1=CC=CC2=NC=NN12 B3336 [1,1,0,0,0,0|2,0,0]=4 794 B11R2.106 BrC1=CC=CC2=NSN=C12 B41823 [1,1,0,0,0,0|2,0,0]=4 795 B11R2.106 BrC1=CC=CN2C=CN=C12 B10337 [1,1,0,0,0,0|2,0,0]=4 796 B11R2.106 BrC1=CC=CN2C=CN=C12 B12501 [1,1,0,0,0,0|2,0,0]=4 797 B11R2.106 BrC1=CC=CN2N=CC=C12 B63893 [1,1,0,0,0,0|2,0,0]=4 798 B11R2.106 BrC1=CC=CN2N=CN=C12 B3334 [1,1,0,0,0,0|2,0,0]=4 799 B11R2.106 BrC1=NC=CC2=C1N=CN2 B12556 [1,1,0,0,0,0|2,0,0]=4 800 B11R2.106 CC1=C2NC=CC2=CC=C1 M2101 [1,1,0,0,0,0|1,0,1]=4 801 B11R2.106 CC1=C2NC=NC2=NC=C1 M7620 [1,1,0,0,0,0|2,0,0]=4 802 B11R2.106 CC1=CC=CC2=C1C=CN2 M2328 [1,1,0,0,0,0|1,0,1]=4 803 B11R2.106 CC1=CC=CC2=C1C=CS2 M51664 [1,1,0,0,0,0|1,1,0]=4 804 B11R2.106 CC1=CC=CC2=C1NC=N2 M48788 [1,1,0,0,0,0|1,0,0]=3 805 B11R2.106 CC1=CC=CC2=NON=C12 M61908 [1,1,0,0,0,0|2,0,0]=4 806 B11R2.106 CC1=CC=CN2C=CN=C12 M48790 [1,1,0,0,0,0|2,0,0]=4 807 B11R2.106 ClC1=C2C=CNC2=CC=C1 C2290 [1,1,0,0,0,0|1,0,1]=4 808 B11R2.106 ClC1=C2C=COC2=NC=C1 C15541 [1,1,0,0,0,0|2,0,0]=4 809 B11R2.106 ClC1=C2C=CSC2=CC=C1 C24793 [1,1,0,0,0,0|1,1,0]=4 810 B11R2.106 ClC1=C2CC=CC2=CC=C1 C51042 [1,1,0,0,0,0|2,0,0]=4 811 B11R2.106 ClC1=C2N=CSC2=CC=C1 C44428 [1,1,0,0,0,0|0,1,0]=3 812 B11R2.106 ClC1=C2NC=CC2=CC=C1 C24142 [1,1,0,0,0,0|1,0,1]=4 813 B11R2.106 ClC1=C2NC=NC2=CC=C1 C44775 [1,1,0,0,0,0|1,0,0]=3 814 B11R2.106 ClC1=C2NC=NC2=CN=C1 C0226 [1,1,0,0,0,0|2,0,0]=4 815 B11R2.106 ClC1=C2NC=NC2=NC=C1 C0044 [1,1,0,0,0,0|2,0,0]=4 816 B11R2.106 ClC1=C2NN=NC2=CC=C1 C42159 [1,1,0,0,0,0|2,0,0]=4 817 B11R2.106 ClC1=C2OC=CC2=NC=C1 C0561 [1,1,0,0,0,0|2,0,0]=4 818 B11R2.106 ClC1=C2SC=CC2=CC=C1 C64511 [1,1,0,0,0,0|1,1,0]=4 819 B11R2.106 ClC1=CC=CC2=NSN=C12 C41833 [1,1,0,0,0,0|2,0,0]=4 820 B11R2.106 ClC1=NC=CC2=C1C=CO2 C22976 [1,1,0,0,0,0|2,0,0]=4 821 B11R2.106 ClC1=NC=CC2=C1N=CN2 C5473 [1,1,0,0,0,0|2,0,0]=4 822 B11R2.106 ClC1=NC=CC2=C1N=CS2 C38323 [1,1,0,0,0,0|1,1,0]=4 823 B11R2.106 ClC1=NC=CC2=C1OC=C2 C5047 [1,1,0,0,0,0|2,0,0]=4 824 B11R2.106 ClC1=NC=CC2=C1SC=N2 C13929 [1,1,0,0,0,0|1,1,0]=4 825 B11R2.106 FC1=C2C=CNC2=CC=C1 F3191 [1,1,0,0,0,0|1,0,1]=4 826 B11R2.106 FC1=C2NC=CC2=CC=C1 F8169 [1,1,0,0,0,0|1,0,1]=4 827 B11R2.106 FC1=C2OC=CC2=CC=C1 F63014 [1,1,0,0,0,0|1,0,0]=3 828 B11R2.106 FC1=C2OC=NC2=CC=C1 F44543 [1,1,0,0,0,0|0,0,0]=2 829 B11R2.106 FC1=C2SC=CC2=CC=C1 F47541 [1,1,0,0,0,0|1,1,0]=4 830 B11R2.106 FC1=CC=CC2=C1C=CS2 F47540 [1,1,0,0,0,0|1,1,0]=4 831 B11R2.106 IC1=C2C=CNC2=CC=C1 K47984 [1,1,0,0,0,0|1,0,1]=4 832 B11R2.106 IC1=C2C=COC2=NC=C1 K60436 [1,1,0,0,0,0|2,0,0]=4 833 B11R2.106 IC1=C2N=CNC2=NC=C1 I12677 [1,1,0,0,0,0|2,0,0]=4 834 B11R2.106 IC1=C2OCOC2=CC=C1 K45104 [1,1,0,0,0,0|1,0,1]=4 835 B11R2.106 NC1=C2OC=NC2=CC=C1 B45209 [1,1,0,0,0,0|0,0,0]=2 836 B11R2.106 NC1=C2OCCC2=CC=C1 A64522 [1,1,0,0,0,0|1,0,1]=4 837 B11R2.106 NC1=C2OCOC2=CC=C1 B45818 [1,1,0,0,0,0|1,0,1]=4 838 B11R2.106 NC1=CC=CC2=C1C=CN2 A24052 [1,1,0,0,0,0|1,0,1]=4 839 B11R2.106 NC1=CC=CC2=C1CCO2 A12891 [1,1,0,0,0,0|1,0,1]=4 840 B11R2.106 NC1=CC=CC2=C1NC=N2 B23667 [1,1,0,0,0,0|1,0,0]=3 841 B11R2.106 NC1=CC=CC2=NC=CN12 I0431 [1,1,0,0,0,0|2,0,0]=4 842 B11R2.106 NC1=CC=CN2C=CN=C12 A12781 [1,1,0,0,0,0|2,0,0]=4 843 B11R2.106 NC1=NC=CC2=C1NC=N2 I8140 [1,1,0,0,0,0|2,0,0]=4 844 B11R2.106 O=C1NC=CC2=C1C=CO2 F31156 [1,1,0,0,0,0|2,0,0]=4 845 B11R2.106 O=C1NC=CC2=C1OC=C2 F4977 [1,1,0,0,0,0|2,0,0]=4 846 B11R2.106 OC1=C2C=CNC2=CC=C1 F2313 [1,1,0,0,0,0|1,0,1]=4 847 B11R2.106 OC1=C2N=CNC2=CC=C1 B45210 [1,1,0,0,0,0|1,0,0]=3 848 B11R2.106 OC1=C2NN=NC2=CC=C1 B62192 [1,1,0,0,0,0|2,0,0]=4 849 B11R2.106 OC1=C2OCOC2=CC=C1 B24932 [1,1,0,0,0,0|1,0,1]=4 850 B11R2.106 OC1=CC=CC2=C1N=CS2 H68083 [1,1,0,0,0,0|0,1,0]=3 851 B11R2.106 OC1=CC=CN2C=CN=C12 K45218 [1,1,0,0,0,0|2,0,0]=4 852 B11R2.106 OC1=NC=CC2=C1N=CN2 I38362 [1,1,0,0,0,0|2,0,0]=4 853 B11R2.988 OC[C@H]1CC2=C1C=CC=C2 B49879 [0,1,0,0,1,0|1,0,1]=4 854 B13R2.32 CC1=C(Br)C=NC2=CC=CC=C21 B53702 [0,1,0,0,0,1|2,0,0]=4 855 B13R2.32 CC1=C(Cl)C2=CC=CC=C2N=C1 C24644 [0,1,0,0,0,1|1,0,0]=3 856 B13R2.32 CC1=C(O)C=NC2=CC=CC=C21 M53894 [0,1,0,0,0,1|2,0,0]=4 857 B13R2.32 CC1=C([Mg+])C2=CC=CC=C2C=C1 M31716 [0,1,0,0,0,1|2,0,0]=4 858 B13R2.32 ClC1=C(Br)C=NC2=CC=CC=C21 B38667 [0,1,0,0,0,1|2,0,0]=4 859 B13R2.32 ClC1=C(I)C=NC2=CC=CC=C21 C6470 [0,1,0,0,0,1|2,0,0]=4 860 B13R2.32 NC1=C(Br)C=NC2=CC=CC=C21 A51052 [0,1,0,0,0,1|2,0,0]=4 861 B13R2.32 NC1=C(Cl)C2=CC=CC=C2N=C1 C62029 [0,1,0,0,0,1|2,0,0]=4 862 B13R2.32 NC1=C(Cl)N=CC2=CC=CC=C21 C51078 [0,1,0,0,0,1|2,0,0]=4 863 B13R2.32 NC1=C(N)C2=CC=CC=C2N=C1 Q66279 [0,1,0,0,0,1|2,0,0]=4 864 B13R2.32 NC1=C(O)C2=CC=CC=C2N=C1 A51341 [0,1,0,0,0,1|2,0,0]=4 865 B13R2.32 OC1=C(Br)N=NC2=CC=CC=C21 B61477 [0,1,0,0,0,1|2,0,0]=4 866 B13R2.32 OC1=C(I)C=NC2=CC=CC=C21 I6887 [0,1,0,0,0,1|2,0,0]=4 867 B13R2.57 BrCC1=CC2=CC=CC=C2C=C1 B55307 [0,1,0,0,0,1|2,0,0]=4 868 B13R2.57 BrCC1=NC2=CC=CC=C2C=C1 B53698 [0,1,0,0,0,1|1,0,0]=3 869 B13R2.57 C#CC1=CC2=CC=CC=C2N=C1 E63866 [0,1,0,0,0,1|1,0,1]=4 870 B13R2.57 C=CC1=NC2=CC=CC=C2C=C1 V55310 [0,1,0,0,0,1|1,0,1]=4 871 B13R2.57 CNC1=NC2=CC=CC=C2C=C1 M52278 [0,1,0,0,0,1|1,0,0]=3 872 B13R2.57 COC1=CC2=CC=CC=C2N=C1 M53890 [0,1,0,0,0,1|1,0,0]=3 873 B13R2.57 COC1=NC2=CC=CC=C2C=C1 M53889 [0,1,0,0,0,1|1,0,0]=3 874 B13R2.57 ClCC1=CC2=CC=CC=C2C=C1 C55309 [0,1,0,0,0,1|2,0,0]=4 875 B13R2.57 ClCC1=CC2=CC=CC=C2C=N1 C38262 [0,1,0,0,0,1|1,0,0]=3 876 B13R2.57 ClCC1=NC2=CC=CC=C2C=C1 C53733 [0,1,0,0,0,1|1,0,0]=3 877 B13R2.57 ClCC1=NC2=CC=CC=C2C=N1 C36784 [0,1,0,0,0,1|1,0,0]=3 878 B13R2.57 N#CC1=CC2=CC=CC=C2C=N1 Q53424 [0,1,0,0,0,1|1,0,1]=4 879 B13R2.57 N#CC1=CC2=CC=CC=C2N=C1 C3747 [0,1,0,0,0,1|1,0,1]=4 880 B13R2.57 N#CC1=NC2=CC=CC=C2C=C1 Q3937 [0,1,0,0,0,1|1,0,1]=4 881 B13R2.57 NCC1=CC2=CC=CC=C2C=C1 N54371 [0,1,0,0,0,1|2,0,0]=4 882 B13R2.57 NCC1=CC2=CC=CC=C2C=C1 N55437 [0,1,0,0,0,1|2,0,0]=4 883 B13R2.57 NCC1=CC2=CC=CC=C2C=N1 I32057 [0,1,0,0,0,1|1,0,0]=3 884 B13R2.57 NCC1=CC2=CC=CC=C2C=N1 Q54084 [0,1,0,0,0,1|1,0,0]=3 885 B13R2.57 NCC1=CC2=CC=CC=C2N=C1 Q61339 [0,1,0,0,0,1|1,0,0]=3 886 B13R2.57 NC[C@H]1CCC2=C(C=CC=C2)O1 C54146 [0,1,0,0,0,1|1,0,1]=4 887 B13R2.57 NC[C@H]1CCC2=C(C=CC=C2)O1 C54148 [0,1,0,0,0,1|1,0,1]=4 888 B13R2.57 NNC1=NC2=CC=CC=C2C=C1 H51702 [0,1,0,0,0,1|2,0,0]=4 889 B13R2.57 O=CC1=CC2=CC=CC=C2C=N1 I3896 [0,1,0,0,0,1|1,0,1]=4 890 B13R2.57 O=CC1=NC2=CC=CC=C2N=C1 F1406 [0,1,0,0,0,1|1,0,1]=4 891 B13R2.57 OCC1=CC2=CC=CC=C2C=C1 N67432 [0,1,0,0,0,1|2,0,0]=4 892 B13R2.57 OCC1=CC2=CC=CC=C2C=N1 I38800 [0,1,0,0,0,1|1,0,0]=3 893 B13R2.57 OCC1=CC2=CC=CC=C2N=C1 Q53901 [0,1,0,0,0,1|1,0,0]=3 894 B13R2.155 BrC1=CN=C2C=CC(I)=CC2=C1 B50726 [0,1,0,0,0,1|2,0,0]=4 895 B13R2.155 CC1=CC2=C(C=CC(=O)O2)C=C1 M61105 [0,1,0,0,0,1|2,0,0]=4 896 B13R2.155 CC1=CC=C2C=CC(Br)=CC2=N1 B23904 [0,1,0,0,0,1|1,0,0]=3 897 B13R2.155 CC1=CC=C2C=CC(C)=CC2=C1 D55696 [0,1,0,0,0,1|2,0,0]=4 898 B13R2.155 CC1=CC=C2C=CC(Cl)=CC2=N1 C69390 [0,1,0,0,0,1|1,0,0]=3 899 B13R2.155 CC1=CC=C2N=CC(Cl)=NC2=C1 C51085 [0,1,0,0,0,1|2,0,0]=4 900 B13R2.155 CC1=CN=C2C=CC(Br)=CC2=C1 B63923 [0,1,0,0,0,1|1,0,0]=3 901 B13R2.155 CC1=NC=C2C=CC(Br)=CC2=N1 B51061 [0,1,0,0,0,1|1,0,0]=3 902 B13R2.155 CC1=NC=C2C=CC(Cl)=CC2=C1 C53732 [0,1,0,0,0,1|1,0,0]=3 903 B13R2.155 ClC1=CC=C2C=CC(Br)=CC2=N1 B27005 [0,1,0,0,0,1|2,0,0]=4 904 B13R2.155 ClC1=CN=C2C=CC(Br)=CC2=N1 B38624 [0,1,0,0,0,1|2,0,0]=4 905 B13R2.155 ClC1=NC=C2C=CC(Br)=CC2=C1 B5647 [0,1,0,0,0,1|2,0,0]=4 906 B13R2.155 ClC1=NC=C2C=CC(Br)=CC2=N1 B10384 [0,1,0,0,0,1|2,0,0]=4 907 B13R2.155 FC1=CC=C2C=CC(Br)=NC2=C1 B50721 [0,1,0,0,0,1|2,0,0]=4 908 B13R2.155 FC1=CC=C2C=NC(Cl)=CC2=C1 C12187 [0,1,0,0,0,1|2,0,0]=4 909 B13R2.155 NC1=CC2=C(C=C1)N=CC(=O)N2 A48394 [0,1,0,0,0,1|2,0,0]=4 910 B13R2.155 NC1=CC2=C(C=C1)OCC(=O)N2 A48823 [0,1,0,0,0,1|1,0,1]=4 911 B13R2.155 NC1=CC=C2C=CC(Br)=CC2=N1 B32431 [0,1,0,0,0,1|2,0,0]=4 912 B13R2.155 NC1=CC=C2N=CC(Br)=CC2=C1 B25009 [0,1,0,0,0,1|2,0,0]=4 913 B13R2.155 NC1=CN=C2C=CC(Br)=CC2=N1 B22322 [0,1,0,0,0,1|2,0,0]=4 914 B13R2.155 NC1=CN=C2C=CC(Cl)=CC2=C1 C60946 [0,1,0,0,0,1|2,0,0]=4 915 B13R2.155 NC1=NC=C2C=CC(Br)=CC2=N1 B47913 [0,1,0,0,0,1|2,0,0]=4 916 B13R2.155 O=C1C=CC2=C(C=C(Br)C=C2)O1 B50763 [0,1,0,0,0,1|2,0,0]=4 917 B13R2.155 O=C1C=CC2=C(C=C(F)C=C2)O1 F50771 [0,1,0,0,0,1|2,0,0]=4 918 B13R2.155 O=C1C=NC2=C(C=C(Br)C=C2)N1 B47607 [0,1,0,0,0,1|2,0,0]=4 919 B13R2.155 O=C1COC2=C(C=C(Br)C=C2)N1 B22569 [0,1,0,0,0,1|1,0,1]=4 920 B13R2.155 O=C1COC2=C(C=C(Cl)C=C2)C1 C38409 [0,1,0,0,0,1|2,0,0]=4 921 B13R2.155 OC1=CC=C2C=CC(Cl)=NC2=C1 C62024 [0,1,0,0,0,1|2,0,0]=4 922 B13R2.155 OC1=CC=C2N=CC(Br)=CC2=C1 B50905 [0,1,0,0,0,1|2,0,0]=4 923 B13R2.155 OC1=CC=C2N=CC(I)=CC2=C1 K50958 [0,1,0,0,0,1|2,0,0]=4 924 B13R2.155 OC1=CN=C2C=CC(Cl)=CC2=C1 C50924 [0,1,0,0,0,1|2,0,0]=4 925 B13R2.155 OC1=NC=C2C=CC(Br)=CC2=C1 B9361 [0,1,0,0,0,1|2,0,0]=4 926 B13R2.155 OC1=NC=C2C=CC(F)=CC2=C1 F50945 [0,1,0,0,0,1|2,0,0]=4 927 B13R2.162 CC1=C2N=C(Cl)C=CC2=CC=C1 C23632 [0,1,0,0,0,1|2,0,0]=4 928 B13R2.162 CC1=CC=C2C=CC=C(Br)C2=N1 B53712 [0,1,0,0,0,1|1,0,0]=3 929 B13R2.162 CC1=CN=C2C=CC=C(Br)C2=C1 B67826 [0,1,0,0,0,1|1,0,0]=3 930 B13R2.162 CC1=NC2=C(C)C=CC=C2C=C1 D54370 [0,1,0,0,0,1|1,0,0]=3 931 B13R2.162 CC1=NC2=C(N)C=CC=C2C=C1 M37877 [0,1,0,0,0,1|1,0,0]=3 932 B13R2.162 ClC1=C2C=C(Br)C=NC2=CC=C1 B62347 [0,1,0,0,0,1|2,0,0]=4 933 B13R2.162 ClC1=C2C=C(Br)N=CC2=CC=C1 B62233 [0,1,0,0,0,1|2,0,0]=4 934 B13R2.162 ClC1=CC=C2C=CC=C(Br)C2=N1 B20804 [0,1,0,0,0,1|2,0,0]=4 935 B13R2.162 ClC1=NC2=C(Cl)C=CC=C2C=C1 D50730 [0,1,0,0,0,1|2,0,0]=4 936 B13R2.162 ClC1=NC2=C(Cl)C=CC=C2C=N1 D47334 [0,1,0,0,0,1|2,0,0]=4 937 B13R2.162 ClC1=NC=C2C=CC=C(Br)C2=N1 B10386 [0,1,0,0,0,1|2,0,0]=4 938 B13R2.162 NC1=C2C=C(Br)C=NC2=CC=C1 B16895 [0,1,0,0,0,1|2,0,0]=4 939 B13R2.162 NC1=C2C=C(Br)N=CC2=CC=C1 B51055 [0,1,0,0,0,1|2,0,0]=4 940 B13R2.162 NC1=C2C=C(Cl)N=CC2=CC=C1 C51079 [0,1,0,0,0,1|2,0,0]=4 941 B13R2.162 NC1=CC=C2C=CC=C(O)C2=N1 A51340 [0,1,0,0,0,1|2,0,0]=4 942 B13R2.162 NC1=CN=C2C=CC=C(Br)C2=C1 B37104 [0,1,0,0,0,1|2,0,0]=4 943 B13R2.162 O=C1C=CC2=CC=CC(Br)=C2O1 B50765 [0,1,0,0,0,1|2,0,0]=4 944 B13R2.162 O=C1C=CC2=CC=CC(O)=C2O1 H64549 [0,1,0,0,0,1|2,0,0]=4 945 B13R2.162 O=C1COC2=C(N1)C(O)=CC=C2 H48506 [0,1,0,0,0,1|1,0,1]=4 946 B13R2.162 O=C1COC2=CC=CC(F)=C2N1 F62620 [0,1,0,0,0,1|1,0,1]=4 947 B13R2.162 OC1=C2C=C(Br)C=NC2=CC=C1 B50904 [0,1,0,0,0,1|2,0,0]=4 948 B13R2.162 OC1=C2C=C(F)C=NC2=CC=C1 F50943 [0,1,0,0,0,1|2,0,0]=4 949 B13R2.162 OC1=C2N=C(Br)C=CC2=CC=C1 B50903 [0,1,0,0,0,1|2,0,0]=4 950 B13R2.162 OC1=C2N=C(Cl)C=CC2=CC=C1 C28732 [0,1,0,0,0,1|2,0,0]=4 951 B13R2.162 OC1=CC=C2C=CC=C(Cl)C2=N1 C50927 [0,1,0,0,0,1|2,0,0]=4 952 B13R2.328 BrC1=CC2=CC=CC=C2C(Br)=N1 D9735 [0,1,0,0,0,1|2,0,0]=4 953 B13R2.328 CC1=CC(=O)C2=C(C=CC=C2)N1 M53903 [0,1,0,0,0,1|1,0,1]=4 954 B13R2.328 CC1=CC(Br)=NC2=CC=CC=C12 B53700 [0,1,0,0,0,1|2,0,0]=4 955 B13R2.328 CC1=CC(C)=NC2=CC=CC=C12 D54369 [0,1,0,0,0,1|1,0,0]=3 956 B13R2.328 CC1=CC(Cl)=NC2=CC=CC=C12 C9556 [0,1,0,0,0,1|2,0,0]=4 957 B13R2.328 CC1=CC(O)=NC2=CC=CC=C12 M38860 [0,1,0,0,0,1|2,0,0]=4 958 B13R2.328 CC1=NC(Cl)=NC2=CC=CC=C21 C39007 [0,1,0,0,0,1|2,0,0]=4 959 B13R2.328 CC1=NC2=C(C=CC=C2)C(=O)O1 M51186 [0,1,0,0,0,1|0,0,0]=2 960 B13R2.328 CC1=NC2=CC=CC=C2C(Br)=C1 B53703 [0,1,0,0,0,1|1,0,0]=3 961 B13R2.328 CC1=NC2=CC=CC=C2C(C)=N1 D52275 [0,1,0,0,0,1|1,0,0]=3 962 B13R2.328 CC1=NC2=CC=CC=C2C(Cl)=C1 C53725 [0,1,0,0,0,1|1,0,0]=3 963 B13R2.328 CC1=NC2=CC=CC=C2C(Cl)=N1 C51086 [0,1,0,0,0,1|1,0,0]=3 964 B13R2.328 CC1=NC2=CC=CC=C2C(N)=C1 M69060 [0,1,0,0,0,1|1,0,0]=3 965 B13R2.328 CC1=NC2=CC=CC=C2C(O)=C1 M60829 [0,1,0,0,0,1|1,0,0]=3 966 B13R2.328 CC1=NC2=CC=CC=C2C(O)=N1 M61591 [0,1,0,0,0,1|1,0,0]=3 967 B13R2.328 ClC1=CC(Cl)=NC2=CC=CC=C12 D9344 [0,1,0,0,0,1|2,0,0]=4 968 B13R2.328 ClC1=CC2=CC=CC=C2C(Cl)=N1 D5656 [0,1,0,0,0,1|2,0,0]=4 969 B13R2.328 ClC1=NC2=CC=CC=C2C(Cl)=N1 D47332 [0,1,0,0,0,1|2,0,0]=4 970 B13R2.328 NC1=CC(Br)=NC2=CC=CC=C12 B51046 [0,1,0,0,0,1|2,0,0]=4 971 B13R2.328 NC1=CC(Cl)=NC2=CC=CC=C12 C51069 [0,1,0,0,0,1|2,0,0]=4 972 B13R2.328 NC1=NC(Cl)=CC2=CC=CC=C21 C51077 [0,1,0,0,0,1|2,0,0]=4 973 B13R2.328 NC1=NC(Cl)=NC2=CC=CC=C21 C47920 [0,1,0,0,0,1|2,0,0]=4 974 B13R2.328 NC1=NC2=CC=CC=C2C(Br)=C1 B51048 [0,1,0,0,0,1|2,0,0]=4 975 B13R2.328 NC1=NC2=CC=CC=C2C(O)=C1 A68849 [0,1,0,0,0,1|2,0,0]=4 976 B13R2.328 O=C1C=C(Cl)C2=C(C=CC=C2)O1 C63746 [0,1,0,0,0,1|2,0,0]=4 977 B13R2.328 O=C1CC2=C(C=CC=C2)C(=O)O1 C68327 [0,1,0,0,0,1|2,0,0]=4 978 B13R2.328 O=C1NC2=C(C=CC=C2)C(=O)O1 B65464 [0,1,0,0,0,1|1,0,1]=4 979 B13R2.369 BrC1=CC2=CC=CC=C2N=C1Br D12593 [0,1,0,0,0,1|2,0,0]=4 980 B13R2.369 CC1=CC2=CC=CC=C2N=C1Cl C53724 [0,1,0,0,0,1|1,0,0]=3 981 B13R2.369 CC1=NC2=CC=CC=C2C=C1Br B60030 [0,1,0,0,0,1|1,0,0]=3 982 B13R2.369 CC1=NC2=CC=CC=C2C=C1N M38253 [0,1,0,0,0,1|1,0,0]=3 983 B13R2.369 CC1=NC2=CC=CC=C2N=C1Cl C51083 [0,1,0,0,0,1|1,0,0]=3 984 B13R2.369 C[C@@H]1OC2=C(C=CC=C2)NC1=O M51787 [0,1,0,0,0,1|0,0,2]=4 985 B13R2.369 ClC1=CC2=CC=CC=C2N=C1Cl D50728 [0,1,0,0,0,1|2,0,0]=4 986 B13R2.369 ClC1=NC2=CC=CC=C2C=C1Br B0520 [0,1,0,0,0,1|2,0,0]=4 987 B13R2.369 ClC1=NC2=CC=CC=C2N=C1Cl D22428 [0,1,0,0,0,1|2,0,0]=4 988 B13R2.369 NC1=NC2=C(C=CC=C2)OC1=O A7976 [0,1,0,0,0,1|1,0,0]=3 989 B13R2.369 NC1=NC2=CC=CC=C2C=C1Br B38777 [0,1,0,0,0,1|2,0,0]=4 990 B13R2.369 NC1=NC2=CC=CC=C2N=C1Cl C1403 [0,1,0,0,0,1|2,0,0]=4 991 B13R2.369 NC1=NC2=CC=CC=C2N=C1N Q48862 [0,1,0,0,0,1|2,0,0]=4 992 B13R2.369 O=C1NC2=C(C=CC=C2)N=C1Cl C11394 [0,1,0,0,0,1|2,0,0]=4 993 B13R2.369 O=C1OC2=C(C=CC=C2)N=C1O H47728 [0,1,0,0,0,1|1,0,0]=3 994 B13R2.369 OC1=CC2=CC=CC=C2N=C1Cl C18445 [0,1,0,0,0,1|2,0,0]=4 995 B13R2.3683 BrC1=CN=C2C=C(I)C=CC2=C1 B32308 [0,1,0,0,0,1|2,0,0]=4 996 B13R2.3683 CC1=CC=C2C=C(Br)C=CC2=N1 B38532 [0,1,0,0,0,1|1,0,0]=3 997 B13R2.3683 CC1=CC=C2C=C(Cl)N=CC2=C1 C37650 [0,1,0,0,0,1|2,0,0]=4 998 B13R2.3683 CC1=CC=C2C=C(F)C=CC2=N1 F53735 [0,1,0,0,0,1|1,0,0]=3 999 B13R2.3683 CC1=CC=C2N=C(Br)C=CC2=C1 B53701 [0,1,0,0,0,1|2,0,0]=4 1000 B13R2.3683 CC1=CC=C2N=C(C)C=CC2=C1 D68332 [0,1,0,0,0,1|1,0,0]=3 1001 B13R2.3683 CC1=CC=C2N=C(Cl)C=CC2=N1 C39105 [0,1,0,0,0,1|2,0,0]=4 1002 B13R2.3683 CC1=CC=C2N=C(Cl)N=CC2=C1 C51084 [0,1,0,0,0,1|2,0,0]=4 1003 B13R2.3683 CC1=CN=C2C=C(Br)C=CC2=C1 B53709 [0,1,0,0,0,1|1,0,0]=3 1004 B13R2.3683 CC1=NC=C2C=C(Br)C=CC2=C1 B36715 [0,1,0,0,0,1|1,0,0]=3 1005 B13R2.3683 ClC1=CC=C2C=C(Br)C=CC2=N1 B4249 [0,1,0,0,0,1|2,0,0]=4 1006 B13R2.3683 ClC1=CC=C2C=C(Br)C=NC2=C1 B25671 [0,1,0,0,0,1|2,0,0]=4 1007 B13R2.3683 ClC1=CC=C2C=C(I)C=CC2=N1 C50740 [0,1,0,0,0,1|2,0,0]=4 1008 B13R2.3683 ClC1=CC=C2N=C(Cl)C=CC2=C1 D50729 [0,1,0,0,0,1|2,0,0]=4 1009 B13R2.3683 ClC1=CC=C2N=C(Cl)C=NC2=C1 D47333 [0,1,0,0,0,1|2,0,0]=4 1010 B13R2.3683 ClC1=CC=C2N=C(Cl)N=CC2=C1 D24825 [0,1,0,0,0,1|2,0,0]=4 1011 B13R2.3683 ClC1=CN=C2C=C(Br)C=CC2=C1 B50715 [0,1,0,0,0,1|2,0,0]=4 1012 B13R2.3683 ClC1=CN=C2C=C(Br)C=CC2=N1 B12911 [0,1,0,0,0,1|2,0,0]=4 1013 B13R2.3683 ClC1=NC=C2C=C(Br)C=CC2=C1 B1552 [0,1,0,0,0,1|2,0,0]=4 1014 B13R2.3683 ClC1=NC=C2C=C(Br)C=CC2=N1 B1696 [0,1,0,0,0,1|2,0,0]=4 1015 B13R2.3683 FC1=CC=C2C=C(Br)C=CC2=N1 B50723 [0,1,0,0,0,1|2,0,0]=4 1016 B13R2.3683 FC1=CC=C2N=C(Br)C=CC2=C1 B50720 [0,1,0,0,0,1|2,0,0]=4 1017 B13R2.3683 FC1=CC=C2N=C(Cl)C=NC2=C1 C47342 [0,1,0,0,0,1|2,0,0]=4 1018 B13R2.3683 NC1=CC2=C(C=C1)NC(=O)C=N2 A48393 [0,1,0,0,0,1|2,0,0]=4 1019 B13R2.3683 NC1=CC=C2C=C(Br)C=NC2=C1 B61770 [0,1,0,0,0,1|2,0,0]=4 1020 B13R2.3683 NC1=CC=C2C=C(F)C=CC2=N1 F51093 [0,1,0,0,0,1|2,0,0]=4 1021 B13R2.3683 NC1=CC=C2C=C(O)C=NC2=C1 A51342 [0,1,0,0,0,1|2,0,0]=4 1022 B13R2.3683 NC1=CN=C2C=C(Br)C=CC2=C1 B51050 [0,1,0,0,0,1|2,0,0]=4 1023 B13R2.3683 NC1=CN=C2C=C(Cl)C=CC2=C1 C51073 [0,1,0,0,0,1|2,0,0]=4 1024 B13R2.3683 NC1=NC=C2C=C(Br)C=CC2=C1 A14303 [0,1,0,0,0,1|2,0,0]=4 1025 B13R2.3683 NC1=NC=C2C=C(Br)C=CC2=N1 B60520 [0,1,0,0,0,1|2,0,0]=4 1026 B13R2.3683 O=C1C=CC2=C(C=CC(Br)=C2)O1 B50762 [0,1,0,0,0,1|2,0,0]=4 1027 B13R2.3683 O=C1CCC2=C(C=CC(Br)=C2)O1 B36742 [0,1,0,0,0,1|2,0,0]=4 1028 B13R2.3683 O=C1CCC2=C(C=CC(I)=C2)O1 K51271 [0,1,0,0,0,1|2,0,0]=4 1029 B13R2.3683 O=C1COC2=C(C=CC(Br)=C2)N1 B47992 [0,1,0,0,0,1|1,0,1]=4 1030 B13R2.3683 O=C1N=CC2=C(C=CC(Br)=C2)N1 B10857 [0,1,0,0,0,1|2,0,0]=4 1031 B13R2.3683 O=C1NC2=C(C=C(Br)C=C2)CO1 B10855 [0,1,0,0,0,1|1,0,1]=4 1032 B13R2.3683 OC1=CC=C2C=C(Br)C=NC2=C1 B50906 [0,1,0,0,0,1|2,0,0]=4 1033 B13R2.3683 OC1=CC=C2C=C(I)C=CC2=N1 K50959 [0,1,0,0,0,1|2,0,0]=4 1034 B13R2.3683 OC1=CC=C2N=C(Cl)C=CC2=C1 C50923 [0,1,0,0,0,1|2,0,0]=4 1035 B13R2.3683 OC1=CC=C2N=C(Cl)N=CC2=C1 C37306 [0,1,0,0,0,1|2,0,0]=4 1036 B13R2.3683 OC1=CN=C2C=C(Br)C=CC2=N1 B47608 [0,1,0,0,0,1|2,0,0]=4 1037 B13R2.5179 CC1=CC2=CC=CC(N)=C2N=C1 M61364 [0,1,0,0,0,1|1,0,0]=3 1038 B13R2.5179 CC1=CC=C2C(Cl)=CC=CC2=N1 C53726 [0,1,0,0,0,1|1,0,0]=3 1039 B13R2.5179 CC1=CC=C2C(N)=CC=CC2=C1 M54373 [0,1,0,0,0,1|2,0,0]=4 1040 B13R2.5179 CC1=NC2=CC=CC(N)=C2C=C1 M67755 [0,1,0,0,0,1|1,0,0]=3 1041 B13R2.5179 ClC1=C2N=CC(Br)=CC2=CC=C1 B38411 [0,1,0,0,0,1|2,0,0]=4 1042 B13R2.5179 ClC1=C2N=CC(I)=CC2=CC=C1 C50742 [0,1,0,0,0,1|2,0,0]=4 1043 B13R2.5179 ClC1=NC2=CC=CC(Cl)=C2C=C1 D24437 [0,1,0,0,0,1|2,0,0]=4 1044 B13R2.5179 ClC1=NC2=CC=CC(Cl)=C2N=C1 D32209 [0,1,0,0,0,1|2,0,0]=4 1045 B13R2.5179 ClC1=NC=C2C(Br)=CC=CC2=N1 B10385 [0,1,0,0,0,1|2,0,0]=4 1046 B13R2.5179 FC1=C2N=CC(I)=CC2=CC=C1 F63858 [0,1,0,0,0,1|2,0,0]=4 1047 B13R2.5179 NC1=C2N=CC(Br)=CC2=CC=C1 B51047 [0,1,0,0,0,1|2,0,0]=4 1048 B13R2.5179 NC1=CC=C2C(Cl)=CC=CC2=N1 C51071 [0,1,0,0,0,1|2,0,0]=4 1049 B13R2.5179 NC1=NC=C2C(Br)=CC=CC2=N1 B8872 [0,1,0,0,0,1|2,0,0]=4 1050 B13R2.5179 NC1=NC=C2C(Cl)=CC=CC2=N1 C62245 [0,1,0,0,0,1|2,0,0]=4 1051 B13R2.5179 NC1=NC=C2C(F)=CC=CC2=N1 F47923 [0,1,0,0,0,1|2,0,0]=4 1052 B13R2.45 CC1=C(C=O)OC2=C1C=CC=C2 M53796 [0,2,0,0,0,0|1,0,1]=4 1053 B13R2.45 CN1C(C=O)=NC2=C1C=CC=C2 M28682 [0,2,0,0,0,0|1,0,1]=4 1054 B13R2.135 CC1=C(C#N)C2=C(C=CC=C2)N1 M38858 [0,2,0,0,0,0|1,0,1]=4 1055 B13R2.135 CC1=C(C=O)C2=C(C=CC=C2)N1 M53912 [0,2,0,0,0,0|1,0,1]=4 1056 B13R2.135 CCN1C(C)=CC2=C1C=CC=C2 E54600 [0,2,0,0,0,0|1,0,1]=4 1057 B13R2.135 CN1N=C2C=CC=CC2=C1CO M11747 [0,2,0,0,0,0|2,0,0]=4 1058 B13R2.359 CC1=NC2=C(C=CC=C2)C1(C)C T68852 [0,2,0,0,0,0|1,0,0]=3 1059 B13R2.3028 CC1=C(C)C2=C(C=CC(Br)=C2)N1 B52353 [0,2,0,0,0,0|1,0,1]=4 1060 B13R2.3028 CC1=C(C)C2=C(C=CC(Cl)=C2)N1 C52359 [0,2,0,0,0,0|1,0,1]=4 1061 B13R2.3028 CC1=C(C)C2=C(C=CC(F)=C2)N1 F52361 [0,2,0,0,0,0|1,0,1]=4 1062 B13R2.3028 CC1=C2C=C(Br)C=CC2=NN1C B10379 [0,2,0,0,0,0|2,0,0]=4 1063 B13R2.3028 CC1=C2C=C(N)C=CC2=NN1C A12550 [0,2,0,0,0,0|2,0,0]=4 1064 B13R2.3028 CC1=NC2=C(C=C(Br)C=C2)N1C B63221 [0,2,0,0,0,0|1,0,0]=3 1065 B13R2.4825 CC1=C2C=CC=C(Br)C2=NN1C B10396 [0,2,0,0,0,0|2,0,0]=4 1066 B13R2.4825 CC1=C2C=CC=C(N)C2=NN1C D60270 [0,2,0,0,0,0|2,0,0]=4 1067 B13R2.4825 CC1=NC2=C(Br)C=CC=C2N1C B63349 [0,2,0,0,0,0|1,0,0]=3 1068 B13R2.4856 CC1=C2C(Br)=CC=CC2=NN1C B16850 [0,2,0,0,0,0|2,0,0]=4 1069 B13R2.4856 CC1=C2C(N)=CC=CC2=NN1C D60269 [0,2,0,0,0,0|2,0,0]=4 1070 B13R2.4856 CC1=CC=CC2=C1N(C)C(N)=N2 D49999 [0,2,0,0,0,0|2,0,0]=4 1071 B13R2.5190 CC1=C2C=CC(Br)=CC2=NN1C B10378 [0,2,0,0,0,0|2,0,0]=4 1072 B13R2.5190 CC1=C2C=CC(I)=CC2=NN1C D7613 [0,2,0,0,0,0|2,0,0]=4 1073 B13R2.5190 CC1=C2C=CC(N)=CC2=NN1C A0237 [0,2,0,0,0,0|2,0,0]=4 1074 B13R2.5190 CC1=C2C=CC(N)=CC2=NN1C D29898 [0,2,0,0,0,0|2,0,0]=4 1075 B13R2.5190 CC1=CC2=C(C=C1)N(C)C(N)=N2 D49998 [0,2,0,0,0,0|2,0,0]=4 1076 B13R2.5190 CC1=CC2=C(C=CC(O)=C2)N1C D63491 [0,2,0,0,0,0|1,0,1]=4 1077 B13R2.5190 CC1=NC2=C(C=CC(N)=C2)N1C D63292 [0,2,0,0,0,0|1,0,0]=3 1078 B13R2.5190 CN1C(=O)OC2=C1C=CC(Br)=C2 B47991 [0,2,0,0,0,0|1,0,1]=4 1079 B13R2.5190 CN1N=C2C=C(Br)C=CC2=C1Cl B29573 [0,2,0,0,0,0|2,0,0]=4 1080 B13R2.26 CCCC1=NC2=C(C=CC=C2)N1 P52681 [0,2,0,0,0,0|1,0,0]=3 1081 B13R2.26 ClCCC1=NC2=C(C=CC=C2)N1 C51682 [0,2,0,0,0,0|1,0,0]=3 1082 B13R2.26 N#CCC1=NC2=C(C=CC=C2)N1 B51134 [0,2,0,0,0,0|1,0,0]=3 1083 B13R2.26 N#CCC1=NC2=C(C=CC=C2)S1 B65102 [0,2,0,0,0,0|0,1,0]=3 1084 B13R2.26 NCCC1=CC2=C(C=CC=C2)N1 K52682 [0,2,0,0,0,0|1,0,1]=4 1085 B13R2.26 NCCC1=NC2=C(C=CC=C2)N1 B49997 [0,2,0,0,0,0|1,0,0]=3 1086 B13R2.26 NCCC1=NC2=C(C=CC=C2)N1 B52094 [0,2,0,0,0,0|1,0,0]=3 1087 B13R2.26 NCCC1=NC2=C(C=CC=C2)N1 B52246 [0,2,0,0,0,0|1,0,0]=3 1088 B13R2.43 CC1=CC2=C(C=C1)N=C(CO)N2 M49728 [0,2,0,0,0,0|1,0,0]=3 1089 B13R2.43 CCC1=CC2=C(C=C(N)C=C2)O1 E52543 [0,2,0,0,0,0|1,0,0]=3 1090 B13R2.43 CCC1=CC2=C(C=CC(Br)=C2)O1 B54043 [0,2,0,0,0,0|1,0,0]=3 1091 B13R2.43 CCC1=NC2=C(C=C(Cl)C=C2)N1 C51681 [0,2,0,0,0,0|1,0,0]=3 1092 B13R2.43 CCC1=NC2=C(C=CC(Br)=C2)O1 B51507 [0,2,0,0,0,0|0,0,0]=2 1093 B13R2.43 CCN1C=C2C=C(N)C=CC2=N1 A9754 [0,2,0,0,0,0|2,0,0]=4 1094 B13R2.43 CNC1=NC2=C(C=C(Br)C=C2)S1 B48329 [0,2,0,0,0,0|0,1,0]=3 1095 B13R2.43 CSC1=NC2=C(C=C(O)C=C2)S1 M48559 [0,2,0,0,0,0|0,1,0]=3 1096 B13R2.43 CSC1=NC2=C(C=CC(Br)=C2)S1 B47955 [0,2,0,0,0,0|0,1,0]=3 1097 B13R2.43 ClCC1=CN2C=C(Br)C=CC2=N1 B3375 [0,2,0,0,0,0|2,0,0]=4 1098 B13R2.43 N#CC1=NC2=C(C=C(N)C=C2)S1 A47653 [0,2,0,0,0,0|0,1,1]=4 1099 B13R2.43 N#CC1=NC2=C(C=C(O)C=C2)S1 H47364 [0,2,0,0,0,0|0,1,1]=4 1100 B13R2.43 N#CC1=NC2=C(C=CC(N)=C2)S1 A47656 [0,2,0,0,0,0|0,1,1]=4 1101 B13R2.43 N#CC1=NC2=C(C=CC(O)=C2)S1 H47363 [0,2,0,0,0,0|0,1,1]=4 1102 B13R2.43 NCC1=CC2=C(C=CC(Cl)=C2)N1 C51680 [0,2,0,0,0,0|1,0,1]=4 1103 B13R2.43 NNC1=NC2=C(C=C(Cl)C=C2)O1 C45306 [0,2,0,0,0,0|1,0,0]=3 1104 B13R2.43 NNC1=NC2=C(C=C(F)C=C2)S1 F45304 [0,2,0,0,0,0|1,1,0]=4 1105 B13R2.43 O=CC1=NC2=C(C=C(F)C=C2)N1 F47620 [0,2,0,0,0,0|1,0,1]=4 1106 B13R2.43 OCC1=CC2=C(C=C(Br)C=C2)N1 B51508 [0,2,0,0,0,0|1,0,1]=4 1107 B13R2.43 OCC1=CC2=C(C=C(Cl)C=C2)N1 C51523 [0,2,0,0,0,0|1,0,1]=4 1108 B13R2.43 OCC1=CN2C=C(Br)C=CC2=N1 B48364 [0,2,0,0,0,0|2,0,0]=4 1109 B13R2.43 OCC1=NC2=C(C=C(Cl)C=C2)N1 C48372 [0,2,0,0,0,0|1,0,0]=3 1110 B13R2.43 OCC1=NC2=C(C=CC(Br)=C2)N1 H24155 [0,2,0,0,0,0|1,0,0]=3 1111 B13R2.43 OCC1=NC2=C(C=CC(F)=C2)N1 F48376 [0,2,0,0,0,0|1,0,0]=3 1112 B13R2.43 OCC1=NC2=CC(Br)=CN=C2N1 B45305 [0,2,0,0,0,0|2,0,0]=4 1113 B13R2.43 OCC1=NN2C=CC(Cl)=CC2=N1 C62534 [0,2,0,0,0,0|2,0,0]=4 1114 B13R2.54 CC1=CC=CC2=C1N=C(NN)S2 H39513 [0,2,0,0,0,0|1,1,0]=4 1115 B13R2.54 CC1=CC=CN2C=C(CCl)N=C12 C51683 [0,2,0,0,0,0|2,0,0]=4 1116 B13R2.54 ClCC1=CN2C(Br)=CC=CC2=N1 B3374 [0,2,0,0,0,0|2,0,0]=4 1117 B13R2.54 N#CC1=NC2=C(Cl)C=CC=C2S1 C47252 [0,2,0,0,0,0|0,1,1]=4 1118 B13R2.54 OCC1=NC2=C(C=CC=C2F)S1 F62831 [0,2,0,0,0,0|0,1,0]=3 1119 B13R2.54 OC[C@H]1CC2=CC=CC(Br)=C2O1 B62374 [0,2,0,0,0,0|1,0,1]=4 1120 B13R2.435 CC(=O)C1=CC2=C(C=CC=C2)N1 K53902 [0,2,0,0,0,0|1,0,1]=4 1121 B13R2.435 CC(=O)C1=CC2=C(C=CC=C2)O1 B61955 [0,2,0,0,0,0|1,0,0]=3 1122 B13R2.435 CC(=O)C1=CC2=C(C=CC=C2)S1 A64883 [0,2,0,0,0,0|1,1,0]=4 1123 B13R2.435 CC(=O)C1=NC2=C(C=CC=C2)N1 B51360 [0,2,0,0,0,0|1,0,0]=3 1124 B13R2.435 CC(=O)C1=NC2=C(C=CC=C2)O1 B51183 [0,2,0,0,0,0|0,0,0]=2 1125 B13R2.435 CN(C)C1=NC2=C(C=CC=C2)N1 D50000 [0,2,0,0,0,0|1,0,0]=3 1126 B13R2.435 C[C@@H](N)C1=NC2=C(C=CC=C2)N1 B52093 [0,2,0,0,0,0|1,0,0]=3 1127 B13R2.435 FC(F)C1=NC2=C(C=CC=C2)N1 D9000 [0,2,0,0,0,0|1,0,0]=3 1128 B13R2.435 NC(=O)C1=NC2=C(C=CC=C2)N1 B48396 [0,2,0,0,0,0|1,0,1]=4 1129 B13R2.435 O=C(O)C1=CC2=C(C=CC=C2)O1 B38556 [0,2,0,0,0,0|1,0,1]=4 1130 B13R2.435 O=C(O)C1=NC2=C(C=CC=C2)N1 B22825 [0,2,0,0,0,0|1,0,1]=4 1131 B13R2.435 O=C(O)C1=NC2=C(C=CC=C2)S1 B13965 [0,2,0,0,0,0|0,1,1]=4 1132 B13R2.435 O=C([O-])C1=NC2=C(C=CC=C2)O1 B37604 [0,2,0,0,0,0|0,0,1]=3 1133 B13R2.435 OB(O)C1=CC2=C(C=CC=C2)O1 B1440 [0,2,0,0,0,0|2,0,0]=4 1134 B13R2.3051 CC1(C)OC2=C(C=C(Br)C=C2)O1 B51911 [0,2,0,0,0,0|1,0,1]=4 1135 B13R2.581 CC1=CC2=C(C#N)C=CC=C2N1 M29630 [0,2,0,0,0,0|1,0,1]=4 1136 B13R2.581 CC1=CC2=C(C=O)C=CC=C2N1 M64516 [0,2,0,0,0,0|1,0,1]=4 1137 B13R2.581 CC1=NC2=C(C=CC=C2C=O)S1 M37092 [0,2,0,0,0,0|0,1,0]=3 1138 B13R2.581 CN1C=C2C(C#N)=CC=CC2=N1 C12545 [0,2,0,0,0,0|2,0,0]=4 1139 B13R2.581 CN1C=C2C(C=O)=CC=CC2=N1 M11317 [0,2,0,0,0,0|2,0,0]=4 1140 B13R2.581 CN1C=C2C(CN)=CC=CC2=N1 A12544 [0,2,0,0,0,0|2,0,0]=4 1141 B13R2.581 CN1C=C2C(CN)=CC=CC2=N1 M27893 [0,2,0,0,0,0|2,0,0]=4 1142 B13R2.581 CN1C=C2C(CO)=CC=CC2=N1 H12810 [0,2,0,0,0,0|2,0,0]=4 1143 B13R2.581 CN1C=C2C=CC=C(C#N)C2=N1 C10377 [0,2,0,0,0,0|2,0,0]=4 1144 B13R2.581 CN1C=C2C=CC=C(C=O)C2=N1 M14162 [0,2,0,0,0,0|2,0,0]=4 1145 B13R2.581 CN1C=C2C=CC=C(CBr)C2=N1 B7346 [0,2,0,0,0,0|2,0,0]=4 1146 B13R2.581 CN1C=C2C=CC=C(CN)C2=N1 A1693 [0,2,0,0,0,0|2,0,0]=4 1147 B13R2.581 CN1C=C2C=CC=C(CN)C2=N1 A7270 [0,2,0,0,0,0|2,0,0]=4 1148 B13R2.581 CN1C=C2C=CC=C(CO)C2=N1 H12809 [0,2,0,0,0,0|2,0,0]=4 1149 B13R2.581 COC1=CC=CC2=C1N=C(N)S2 A24194 [0,2,0,0,0,0|1,1,0]=4 1150 B13R2.3050 CC1=C(Br)C2=CN(C)N=C2C=C1 B9515 [0,2,0,0,0,0|2,0,0]=4 1151 B13R2.3050 CC1=C(Br)C=CC2=C1N=C(N)S2 B48328 [0,2,0,0,0,0|1,1,0]=4 1152 B13R2.3050 CC1=C(Br)C=CC2=NN(C)C=C21 B5782 [0,2,0,0,0,0|2,0,0]=4 1153 B13R2.3050 CC1=CC2=C(C=CC(F)=C2F)N1 D51155 [0,2,0,0,0,0|1,0,1]=4 1154 B13R2.3050 CC1=CC2=C(C=CC(N)=C2F)N1 A14192 [0,2,0,0,0,0|1,0,1]=4 1155 B13R2.3050 CC1=CC2=C(C=CC(O)=C2F)N1 F10422 [0,2,0,0,0,0|1,0,1]=4 1156 B13R2.3050 FC1=C(Br)C=CC2=C1N=C(Br)S2 D62988 [0,2,0,0,0,0|1,1,0]=4 1157 B13R2.3050 NC1=NC2=C(C=CC(Br)=C2F)S1 B63000 [0,2,0,0,0,0|1,1,0]=4 1158 B13R2.3050 NC1=NC2=C(S1)C(Cl)=C(Cl)C=C2 D62033 [0,2,0,0,0,0|1,1,0]=4 1159 B13R2.5397 CC1=CC(Br)=CC2=CN(C)N=C12 B9513 [0,2,0,0,0,0|2,0,0]=4 1160 B13R2.5397 CC1=CC(N)=CN2N=C(C)N=C12 D10815 [0,2,0,0,0,0|2,0,0]=4 1161 B13R2.5397 CC1=NC2=C(Cl)C=C(Br)C=C2S1 B47666 [0,2,0,0,0,0|0,1,0]=3 1162 B13R2.5397 CC1=NN2C=C(Cl)C=C(Br)C2=N1 B44858 [0,2,0,0,0,0|2,0,0]=4 1163 B13R2.5397 FC1=C2N=C(Br)SC2=CC(Br)=C1 D62983 [0,2,0,0,0,0|1,1,0]=4 1164 B13R2.5397 FC1=CC2=C(N=C(Cl)S2)C(F)=C1 C38052 [0,2,0,0,0,0|1,1,0]=4 1165 B13R2.5397 NC1=NC2=C(Br)C=C(Br)C=C2S1 D44295 [0,2,0,0,0,0|1,1,0]=4 1166 B13R2.5397 NC1=NC2=C(Br)C=C(Cl)C=C2N1 B67209 [0,2,0,0,0,0|2,0,0]=4 1167 B13R2.5397 NC1=NC2=C(Cl)C=C(Cl)C=C2S1 A44325 [0,2,0,0,0,0|1,1,0]=4 1168 B13R2.5397 NC1=NC2=C(F)C=C(Br)C=C2S1 B62999 [0,2,0,0,0,0|1,1,0]=4 1169 B13R2.5397 NC1=NC2=CC(Cl)=CC(Cl)=C2S1 D44327 [0,2,0,0,0,0|1,1,0]=4 1170 B13R2.5397 NC1=NC2=CC(F)=CC(F)=C2S1 D44344 [0,2,0,0,0,0|1,1,0]=4 1171 B13R2.2121 CC1=CC2=C(C=C(C#N)C=C2)N1 M32165 [0,2,0,0,0,0|1,0,1]=4 1172 B13R2.2121 CC1=CC2=C(C=CC(C#N)=C2)N1 M63830 [0,2,0,0,0,0|1,0,1]=4 1173 B13R2.2121 CC1=NC2=C(C=C(C=O)C=C2)O1 M51187 [0,2,0,0,0,0|0,0,0]=2 1174 B13R2.2121 CC1=NC2=C(C=C(CO)C=C2)S1 M51870 [0,2,0,0,0,0|0,1,0]=3 1175 B13R2.2121 CC1=NC2=C(C=CC(C#N)=C2)S1 M38919 [0,2,0,0,0,0|0,1,0]=3 1176 B13R2.2121 CC1=NC2=C(C=CC(CO)=C2)O1 M51784 [0,2,0,0,0,0|0,0,0]=2 1177 B13R2.2121 CCC1=CC2=C(C=C1)N=C(N)S2 E49751 [0,2,0,0,0,0|1,1,0]=4 1178 B13R2.2121 CN1C=C2C=C(C#N)C=CC2=N1 C12546 [0,2,0,0,0,0|2,0,0]=4 1179 B13R2.2121 CN1C=C2C=C(C=O)C=CC2=N1 M14154 [0,2,0,0,0,0|2,0,0]=4 1180 B13R2.2121 CN1C=C2C=C(CN)C=CC2=N1 A7612 [0,2,0,0,0,0|2,0,0]=4 1181 B13R2.2121 CN1C=C2C=C(CO)C=CC2=N1 H12811 [0,2,0,0,0,0|2,0,0]=4 1182 B13R2.2121 CN1C=C2C=CC(C#N)=CC2=N1 C12547 [0,2,0,0,0,0|2,0,0]=4 1183 B13R2.2121 CN1C=C2C=CC(C=O)=CC2=N1 M14159 [0,2,0,0,0,0|2,0,0]=4 1184 B13R2.2121 CN1C=C2C=CC(CN)=CC2=N1 A12543 [0,2,0,0,0,0|2,0,0]=4 1185 B13R2.2121 CN1C=C2C=CC(CO)=CC2=N1 H12812 [0,2,0,0,0,0|2,0,0]=4 1186 B13R2.2121 COC1=CC2=C(C=C1)N=C(Br)S2 B48082 [0,2,0,0,0,0|1,1,0]=4 1187 B13R2.2121 COC1=CC2=C(C=C1)N=C(C)O2 M51781 [0,2,0,0,0,0|0,0,0]=2 1188 B13R2.2121 COC1=CC2=C(C=C1)N=C(C)S2 M51869 [0,2,0,0,0,0|0,1,0]=3 1189 B13R2.2121 COC1=CC2=C(C=C1)N=C(Cl)S2 C48092 [0,2,0,0,0,0|1,1,0]=4 1190 B13R2.2121 COC1=CC2=C(C=C1)N=C(N)S2 M21846 [0,2,0,0,0,0|1,1,0]=4 1191 B13R2.2121 COC1=CC2=C(C=C1)NC(C)=C2 M16422 [0,2,0,0,0,0|1,0,1]=4 1192 B13R2.2121 COC1=CC2=C(C=C1)NC(N)=N2 M49214 [0,2,0,0,0,0|2,0,0]=4 1193 B13R2.2121 COC1=CC2=C(C=C1)SC(N)=N2 M24172 [0,2,0,0,0,0|1,1,0]=4 1194 B13R2.2121 COC1=CC2=C(C=C1)SC(S)=N2 M48558 [0,2,0,0,0,0|1,1,0]=4 1195 B13R2.2121 COC1=CC2=CN(C)N=C2C=C1 M49721 [0,2,0,0,0,0|2,0,0]=4 1196 B13R2.2121 N#CC1=CC2=C(C=C1)N=C(Br)S2 B47243 [0,2,0,0,0,0|1,1,0]=4 1197 B13R2.2121 N#CC1=CC2=C(C=C1)N=C(Cl)S2 C47250 [0,2,0,0,0,0|1,1,0]=4 1198 B13R2.2121 N#CC1=CC2=C(C=C1)N=C(N)S2 A47654 [0,2,0,0,0,0|1,1,0]=4 1199 B13R2.2121 N#CC1=CC2=C(C=C1)N=C(S)S2 M47366 [0,2,0,0,0,0|1,1,0]=4 1200 B13R2.2121 N#CC1=CC2=C(C=C1)NC(Cl)=N2 C47370 [0,2,0,0,0,0|2,0,0]=4 1201 B13R2.2121 N#CC1=CC2=C(C=C1)SC(Cl)=N2 C47251 [0,2,0,0,0,0|1,1,0]=4 1202 B13R2.2121 N#CC1=CC2=C(C=C1)SC(N)=N2 A47655 [0,2,0,0,0,0|1,1,0]=4 1203 B13R2.13083 CC1=CC2=C(C=C1C)SC(N)=N2 D49754 [0,2,0,0,0,0|1,1,0]=4 1204 B13R2.13083 CC1=CC2=C(C=C1C)SC(S)=N2 D51872 [0,2,0,0,0,0|1,1,0]=4 1205 B13R2.13083 CC1=CC2=C(C=C1N)N=C(C)S2 D49753 [0,2,0,0,0,0|0,1,0]=3 1206 B13R2.13083 CC1=CC2=C(C=C1N)SC(C)=N2 D49752 [0,2,0,0,0,0|0,1,0]=3 1207 B13R2.13083 CC1=CC2=NN(C)C=C2C=C1Br B64038 [0,2,0,0,0,0|2,0,0]=4 1208 B13R2.13083 CC1=NC2=CC(Cl)=C(Cl)C=C2N1 D47858 [0,2,0,0,0,0|1,0,0]=3 1209 B13R2.13083 CC1=NC2=CC(Cl)=C(N)C=C2O1 M48371 [0,2,0,0,0,0|0,0,0]=2 1210 B13R2.13083 CN1C=C2C=C(O)C(Br)=CC2=N1 B12947 [0,2,0,0,0,0|2,0,0]=4 1211 B13R2.13083 ClC1=CC2=C(C=C1Cl)NC(Br)=N2 B66964 [0,2,0,0,0,0|2,0,0]=4 1212 B13R2.13083 ClC1=NC2=CC(Cl)=C(Cl)C=C2N1 T68145 [0,2,0,0,0,0|2,0,0]=4 1213 B13R2.13083 NC1=CC2=NC(=O)N=C2C=C1N D45311 [0,2,0,0,0,0|2,0,0]=4 1214 B13R2.13083 NC1=NC2=CC(Br)=C(F)C=C2S1 B44315 [0,2,0,0,0,0|1,1,0]=4 1215 B13R2.13083 NC1=NC2=CC(Cl)=C(Cl)C=C2N1 D44860 [0,2,0,0,0,0|2,0,0]=4 1216 B13R2.13083 NC1=NC2=CC(Cl)=C(Cl)C=C2S1 D44326 [0,2,0,0,0,0|1,1,0]=4 1217 B13R2.13083 SC1=NC2=CC(Cl)=C(Cl)C=C2N1 D44328 [0,2,0,0,0,0|2,0,0]=4 1218 B11R2.20 C1=CC2=C(C=C1)OCCC2 D66932 [0,0,1,1,0,0|1,0,1]=4 1219 B11R2.20 C1=CC2=C(C=C1)OCCN2 B67657 [0,0,1,1,0,0|0,0,2]=4 1220 B11R2.20 C1=CC=C2N=CC=NC2=C1 Q69216 [0,0,1,1,0,0|1,0,1]=4 1221 B9R1.6 C[C@@H](N)C1=CC=CC=C1 P68072 [0,0,1,0,1,0|0,0,2]=4 1222 B9R1.6 C[C@@H](O)C1=CC=CC=C1 P46824 [0,0,1,0,1,0|0,0,1]=3 1223 B9R1.6 C[C@@H](O)C1=CC=NC=C1 P46383 [0,0,1,0,1,0|1,0,1]=4 1224 B9R1.6 C[C@@H](O)C1=NC=CC=C1 P46382 [0,0,1,0,1,0|1,0,1]=4 1225 B9R1.6 C[C@H](N)C1=CC=CC=C1 P68597 [0,0,1,0,1,0|0,0,2]=4 1226 B9R1.6 C[C@H](N)C1=CC=CC=C1 P69271 [0,0,1,0,1,0|0,0,2]=4 1227 B9R1.6 C[C@H](O)C1=CC=CC=C1 P46823 [0,0,1,0,1,0|0,0,1]=3 1228 B9R1.6 C[C@H](O)C1=CC=NC=C1 P38118 [0,0,1,0,1,0|1,0,1]=4 1229 B9R1.6 C[C@H](O)C1=NC=CC=C1 P46375 [0,0,1,0,1,0|1,0,1]=4 1230 B9R1.6 C[S@](=O)C1=CC=CC=C1 M61814 [0,0,1,0,1,0|1,0,1]=4 1231 B9R1.6 N=C(N)C1=CC=CC=C1 B39428 [0,0,1,0,1,0|1,0,0]=3 1232 B9R1.6 N=C(N)C1=CC=CN=C1 N43530 [0,0,1,0,1,0|2,0,0]=4 1233 B9R1.6 N=C(N)C1=CC=NC=C1 N43531 [0,0,1,0,1,0|2,0,0]=4 1234 B9R1.6 N=C(N)C1=NC=CC=C1 A3829 [0,0,1,0,1,0|2,0,0]=4 1235 B9R1.6 N=C(N)C1=NC=CC=C1 P43087 [0,0,1,0,1,0|2,0,0]=4 1236 B9R1.6 NC(=O)C1=CC=CC=C1 B69845 [0,0,1,0,1,0|1,0,1]=4 1237 B9R1.6 O=C(O)C1=NC=CC=C1 P62145 [0,0,1,0,1,0|2,0,0]=4 1238 B9R2.50 C1=CC2=C(C=C1)CC2 B68912 [1,0,0,0,1,0|1,0,1]=4 1239 B11R1.91 CC(=O)NNC1=CC=CC=C1 P69088 [0,0,1,0,0,1|0,0,2]=4 1240 B11R1.91 CC(=O)\C=C\C1=CC=CC=C1 P68564 [0,0,1,0,0,1|1,0,1]=4 1241 B11R1.91 NC(=O)OCC1=CC=CC=C1 B37832 [0,0,1,0,0,1|1,0,1]=4 1242 B11R1.91 O=C(O)C#CC1=CC=CC=C1 P67832 [0,0,1,0,0,1|2,0,0]=4 1243 B11R1.91 O=C(O)CNC1=CC=CC=C1 P68874 [0,0,1,0,0,1|1,0,1]=4 1244 B11R1.91 O=C(O)\C=C\C1=CC=CC=C1 C37831 [0,0,1,0,0,1|2,0,0]=4 1245 B11R2.18 C1=CC=C2C=CC=C2C=C1 A60556 [1,0,0,0,0,1|2,0,0]=4