0 B12R2.18 CC1=C(Br)C2=C(N=CC=C2)N1 B10560 [0,0,0,0,0,0|3,0,0]=3 1 B12R2.18 CC1=C(C)C2=C(C=CC=C2)N1 D68340 [0,0,0,0,0,0|4,0,0]=4 2 B12R2.18 CC1=C(I)C2=C(N=CC=C2)N1 I11087 [0,0,0,0,0,0|3,0,0]=3 3 B12R2.18 CC1=CC2=C(C=CC=C2)N1C D26007 [0,0,0,0,0,0|4,0,0]=4 4 B12R2.18 CN1C(=O)CC2=C1N=CC=C2 M20444 [0,0,0,0,0,0|4,0,0]=4 5 B12R2.18 CN1C(=O)NC2=C1C=CC=C2 M48815 [0,0,0,0,0,0|2,0,0]=2 6 B12R2.18 CN1C(=O)NC2=C1C=CC=N2 M62649 [0,0,0,0,0,0|1,0,0]=1 7 B12R2.18 CN1C(=O)NC2=C1C=NC=C2 M62647 [0,0,0,0,0,0|3,0,0]=3 8 B12R2.18 CN1C(N)=CC2=C1C=CC=C2 M38994 [0,0,0,0,0,0|4,0,0]=4 9 B12R2.18 CN1C(N)=NC2=C1C=CC=C2 M61297 [0,0,0,0,0,0|3,0,1]=4 10 B12R2.18 C[C@@H]1C(=O)NC2=C1C=CC=N2 M18676 [0,0,0,0,0,0|2,0,0]=2 11 B12R2.18 O=C1NC2=C(C=CC=N2)C1=O P9936 [0,0,0,0,0,0|1,0,1]=2 12 B11R2.1 BrC1=CNC2=C1C=CC=N2 B0249 [1,0,0,0,0,0|2,0,0]=3 13 B11R2.1 BrC1=CNC2=C1C=NC=N2 B1544 [1,0,0,0,0,0|3,0,0]=4 14 B11R2.1 BrC1=CNC2=NC=CN=C12 B0682 [1,0,0,0,0,0|3,0,0]=4 15 B11R2.1 BrC1=CSC2=C1C=CC=N2 B44419 [1,0,0,0,0,0|3,0,0]=4 16 B11R2.1 BrC1=NNC2=C1C=CC=N2 B0140 [1,0,0,0,0,0|3,0,0]=4 17 B11R2.1 CC1=CNC2=C1C=CC=C2 M13894 [1,0,0,0,0,0|3,0,0]=4 18 B11R2.1 CC1=CNC2=NC=CC=C12 M7858 [1,0,0,0,0,0|2,0,0]=3 19 B11R2.1 CC1=NNC2=NC=CC=C12 M0532 [1,0,0,0,0,0|3,0,0]=4 20 B11R2.1 CN1C=CC2=C1C=CC=C2 M68120 [1,0,0,0,0,0|3,0,0]=4 21 B11R2.1 CN1C=CC2=NC=CC=C21 M36638 [1,0,0,0,0,0|2,0,0]=3 22 B11R2.1 CN1C=NC2=C1C=CC=C2 M48776 [1,0,0,0,0,0|2,0,1]=4 23 B11R2.1 ClC1=CNC2=C1C=CC=N2 C1529 [1,0,0,0,0,0|2,0,0]=3 24 B11R2.1 ClC1=CNC2=C1C=NC=N2 C42160 [1,0,0,0,0,0|3,0,0]=4 25 B11R2.1 FC1=CNC2=C1C=CC=N2 F18191 [1,0,0,0,0,0|2,0,0]=3 26 B11R2.1 IC1=CNC2=C1C=CC=N2 K3799 [1,0,0,0,0,0|2,0,0]=3 27 B11R2.1 IC1=CNC2=C1C=NC=N2 I12439 [1,0,0,0,0,0|3,0,0]=4 28 B11R2.1 IC1=CNC2=NC=CN=C12 I7481 [1,0,0,0,0,0|3,0,0]=4 29 B11R2.1 IC1=NNC2=C1C=CC=N2 I5851 [1,0,0,0,0,0|3,0,0]=4 30 B11R2.1 NC1=CNC2=NC=CC=C12 A3801 [1,0,0,0,0,0|2,0,0]=3 31 B11R2.1 NC1=NNC2=NC=CC=C12 P0139 [1,0,0,0,0,0|3,0,0]=4 32 B11R2.1 NN1C=CC2=C1C=CC=C2 K64885 [1,0,0,0,0,0|3,0,0]=4 33 B11R2.1 O=C1NNC2=C1C=CC=N2 P42478 [1,0,0,0,0,0|2,0,1]=4 34 B11R2.10 BrC1=CC2=C(N=CC=C2)N1 B16458 [1,0,0,0,0,0|2,0,0]=3 35 B11R2.10 BrC1=CC2=C(N=CN=C2)N1 B13856 [1,0,0,0,0,0|3,0,0]=4 36 B11R2.10 BrC1=NC2=C(C=CC=C2)N1 B36657 [1,0,0,0,0,0|2,0,1]=4 37 B11R2.10 BrC1=NC2=C(N=CC=C2)S1 B23598 [1,0,0,0,0,0|2,0,1]=4 38 B11R2.10 CC1=CC2=C(C=CC=C2)N1 M13893 [1,0,0,0,0,0|3,0,0]=4 39 B11R2.10 CC1=CC2=CC=CN=C2N1 M0598 [1,0,0,0,0,0|2,0,0]=3 40 B11R2.10 CC1=CC2=CN=CN=C2N1 M11115 [1,0,0,0,0,0|3,0,0]=4 41 B11R2.10 CC1=CC2=NC=CC=C2N1 M25103 [1,0,0,0,0,0|2,0,0]=3 42 B11R2.10 CC1=CC2=NC=CN=C2N1 M60205 [1,0,0,0,0,0|3,0,0]=4 43 B11R2.10 CC1=NC2=C(C=CC=N2)O1 M38652 [1,0,0,0,0,0|2,0,1]=4 44 B11R2.10 CC1=NC2=CN=CN=C2N1 M42829 [1,0,0,0,0,0|2,0,1]=4 45 B11R2.10 CC1=NC2=NC=CC=C2N1 M45728 [1,0,0,0,0,0|1,0,1]=3 46 B11R2.10 C[C@H]1CC2=CC=CN=C2N1 D64809 [1,0,0,0,0,0|2,0,1]=4 47 B11R2.10 ClC1=CC2=C(C=CC=C2)N1 C47956 [1,0,0,0,0,0|3,0,0]=4 48 B11R2.10 ClC1=NC2=C(C=CC=C2)N1 C39352 [1,0,0,0,0,0|2,0,1]=4 49 B11R2.10 ClC1=NC2=C(C=CC=N2)O1 C38306 [1,0,0,0,0,0|2,0,1]=4 50 B11R2.10 ClC1=NC2=C(C=CC=N2)O1 C41854 [1,0,0,0,0,0|2,0,1]=4 51 B11R2.10 ClC1=NC2=C(C=CC=N2)S1 C32167 [1,0,0,0,0,0|2,0,1]=4 52 B11R2.10 ClC1=NC2=C(N=CC=C2)S1 C26456 [1,0,0,0,0,0|2,0,1]=4 53 B11R2.10 IC1=CC2=C(C=CC=C2)N1 K47983 [1,0,0,0,0,0|3,0,0]=4 54 B11R2.10 IC1=CC2=C(N=CC=C2)N1 I8108 [1,0,0,0,0,0|2,0,0]=3 55 B11R2.10 IC1=CC2=C(N=CN=C2)N1 K60311 [1,0,0,0,0,0|3,0,0]=4 56 B11R2.10 NC1=NC2=C(C=CC=C2)N1 K64925 [1,0,0,0,0,0|2,0,1]=4 57 B11R2.10 NC1=NC2=C(C=CC=N2)S1 T18969 [1,0,0,0,0,0|2,0,1]=4 58 B11R2.10 O=C1C=C2C=CC=CN2N1 P45223 [1,0,0,0,0,0|3,0,0]=4 59 B11R2.10 O=C1CC2=C(C=CC=C2)C1 K24552 [1,0,0,0,0,0|3,0,0]=4 60 B11R2.10 O=C1CC2=C(C=CC=N2)N1 D0382 [1,0,0,0,0,0|1,0,0]=2 61 B11R2.10 O=C1CC2=C(C=CN=C2)N1 D0077 [1,0,0,0,0,0|3,0,0]=4 62 B11R2.10 O=C1CC2=C(C=NC=C2)N1 D0383 [1,0,0,0,0,0|3,0,0]=4 63 B11R2.10 O=C1CC2=C(N=CC=C2)N1 D0034 [1,0,0,0,0,0|1,0,0]=2 64 B11R2.10 O=C1CC2=C(N=CC=C2)N1 D15765 [1,0,0,0,0,0|1,0,0]=2 65 B11R2.10 O=C1CC2=C(N=CN=C2)N1 D10956 [1,0,0,0,0,0|2,0,0]=3 66 B11R2.10 O=C1NC2=C(C=CC=C2)N1 H67954 [1,0,0,0,0,0|1,0,0]=2 67 B11R2.10 O=C1NC2=C(C=CC=N2)O1 X39239 [1,0,0,0,0,0|1,0,0]=2 68 B11R2.10 O=C1NC2=C(C=CC=N2)S1 T42138 [1,0,0,0,0,0|1,0,0]=2 69 B11R2.10 O=C1NC2=C(C=NC=C2)N1 I38762 [1,0,0,0,0,0|2,0,0]=3 70 B11R2.10 O=C1NC2=C(N=CC=C2)N1 K42475 [1,0,0,0,0,0|0,0,0]=1 71 B11R2.10 O=C1OC2=C(C=CC=C2)O1 B44621 [1,0,0,0,0,0|3,0,0]=4 72 B11R2.10 S=C1NC2=C(C=CC=C2)N1 B69662 [1,0,0,0,0,0|1,1,0]=3 73 B11R2.10 S=C1NC2=C(C=CC=C2)S1 B69039 [1,0,0,0,0,0|2,1,0]=4 74 B11R2.10 S=C1NC2=C(C=CC=N2)O1 X42139 [1,0,0,0,0,0|1,1,0]=3 75 B11R2.10 S=C1NC2=C(C=CC=N2)S1 T63919 [1,0,0,0,0,0|1,1,0]=3 76 B11R2.10 S=C1NC2=C(C=NC=C2)N1 D63137 [1,0,0,0,0,0|2,1,0]=4 77 B11R2.10 S=C1NC2=C(N=CC=C2)N1 K42494 [1,0,0,0,0,0|0,1,0]=2 78 B11R2.10 SC1=NC2=C(C=CC=N2)O1 X42137 [1,0,0,0,0,0|1,1,1]=4 79 B13R2.45 CC1=C(C=O)NC2=C1C=CC=C2 M61458 [0,1,0,0,0,0|3,0,0]=4 80 B13R2.45 CN1C(C=O)=CC2=C1C=CC=C2 M53907 [0,1,0,0,0,0|3,0,0]=4 81 B13R2.45 CN1C(C=O)=NC2=C1C=CC=C2 M28682 [0,1,0,0,0,0|2,0,1]=4 82 B13R2.135 CC1=C(C=O)C2=C(N=CC=C2)N1 M25752 [0,1,0,0,0,0|2,0,1]=4 83 B13R2.135 N#C[C@@H]1C(=O)NC2=C1C=CC=C2 X36946 [0,1,0,0,0,0|3,0,0]=4 84 B13R2.135 O=C[C@@H]1C(=O)NC2=C1C=CC=C2 X51176 [0,1,0,0,0,0|2,0,1]=4 85 B13R2.359 CC1(C)C(=O)NC2=C1C=CC=C2 D22066 [0,1,0,0,0,0|3,0,0]=4 86 B13R2.3028 CC1=CC2=C(C=C1)NC(=O)C2=O M68330 [0,1,0,0,0,0|2,0,1]=4 87 B13R2.3028 CN1C(=O)CC2=C1C=C(Br)C=C2 B26299 [0,1,0,0,0,0|3,0,0]=4 88 B13R2.3028 CN1C(=O)CC2=C1C=C(N)C=C2 A0124 [0,1,0,0,0,0|3,0,0]=4 89 B13R2.3028 CN1C(=O)NC2=C1C=C(Br)C=C2 B48367 [0,1,0,0,0,0|2,0,0]=3 90 B13R2.3028 O=C1NC2=C(C=C(Br)C=C2)C1=O B67844 [0,1,0,0,0,0|2,0,1]=4 91 B13R2.3028 O=C1NC2=C(C=C(Cl)C=C2)C1=O C64901 [0,1,0,0,0,0|2,0,1]=4 92 B13R2.3028 O=C1NC2=C(C=C(F)C=C2)C1=O F28487 [0,1,0,0,0,0|2,0,1]=4 93 B13R2.3028 O=C1NC2=C(C=C(I)C=C2)C1=O K61448 [0,1,0,0,0,0|2,0,1]=4 94 B13R2.3028 O=C1NC2=NC=C(Br)C=C2C1=O B36812 [0,1,0,0,0,0|1,0,1]=3 95 B13R2.3085 CN1C(=O)C(=O)C2=C1C=CC=C2 M61712 [0,1,0,0,0,0|2,0,1]=4 96 B13R2.3085 CN1C(=O)N(C)C2=C1C=CC=C2 D49726 [0,1,0,0,0,0|2,0,0]=3 97 B13R2.4825 CC1=CC=CC2=C1NC(=O)C2=O M37436 [0,1,0,0,0,0|2,0,1]=4 98 B13R2.4825 CN1C(=O)CC2=C(Br)C=CC=C21 B3855 [0,1,0,0,0,0|3,0,0]=4 99 B13R2.4825 C[C@@H]1C(=O)NC2=C(Br)C=CC=C21 B61898 [0,1,0,0,0,0|3,0,0]=4 100 B13R2.4825 O=C1NC2=C(Br)C=CC=C2C1=O B47383 [0,1,0,0,0,0|2,0,1]=4 101 B13R2.4825 O=C1NC2=C(Cl)C=CC=C2C1=O C47391 [0,1,0,0,0,0|2,0,1]=4 102 B13R2.4856 C[C@@H]1C(=O)NC2=NC=CC(Cl)=C21 C29742 [0,1,0,0,0,0|2,0,0]=3 103 B13R2.4856 O=C1NC2=CC=CC(Br)=C2C1=O B47382 [0,1,0,0,0,0|2,0,1]=4 104 B13R2.4856 O=C1NC2=CC=CC(Cl)=C2C1=O C47390 [0,1,0,0,0,0|2,0,1]=4 105 B13R2.4856 O=C1NC2=CC=CC(F)=C2C1=O F69164 [0,1,0,0,0,0|2,0,1]=4 106 B13R2.5190 CN1C(=O)CC2=C1C=CC(Br)=C2 B22286 [0,1,0,0,0,0|3,0,0]=4 107 B13R2.5190 CN1C(=O)CC2=C1C=CC(N)=C2 A12401 [0,1,0,0,0,0|3,0,0]=4 108 B13R2.5190 CN1C(=O)NC2=C1C=CC(N)=C2 A49215 [0,1,0,0,0,0|2,0,0]=3 109 B13R2.5190 CN1C(=O)OC2=C1C=CC(Br)=C2 B47991 [0,1,0,0,0,0|3,0,0]=4 110 B13R2.5190 C[C@@H]1C(=O)NC2=C1C=CC(Br)=C2 B51506 [0,1,0,0,0,0|3,0,0]=4 111 B13R2.5190 C[C@@H]1C(=O)NC2=C1C=NC(Cl)=N2 C21375 [0,1,0,0,0,0|3,0,0]=4 112 B13R2.5190 O=C1NC2=C(C=CC(Br)=C2)C1=O B9750 [0,1,0,0,0,0|2,0,1]=4 113 B13R2.5190 O=C1NC2=C(C=CC(Cl)=C2)C1=O C38431 [0,1,0,0,0,0|2,0,1]=4 114 B13R2.5190 O=C1NC2=C(C=CC(F)=C2)C1=O F47400 [0,1,0,0,0,0|2,0,1]=4 115 B13R2.5190 O=C1NC2=C(C=CC(I)=C2)C1=O K47409 [0,1,0,0,0,0|2,0,1]=4 116 B11R1.36 NC(=O)[C@@H](N)C1=CC=CC=C1 A69457 [0,0,1,0,0,0|3,0,0]=4 117 B11R1.36 NC(=O)[C@H](N)C1=CC=CC=C1 A69199 [0,0,1,0,0,0|3,0,0]=4 118 B11R1.36 O=C(O)[C@@H](O)C1=CC=CC=C1 M64934 [0,0,1,0,0,0|3,0,0]=4 119 B11R1.40 C=CC(=O)NC1=CC=CC=C1 P38034 [0,0,1,0,0,0|3,0,0]=4 120 B11R1.40 COC(=O)CC1=NC=CC=C1 M12486 [0,0,1,0,0,0|3,0,0]=4 121 B11R1.40 O=C(CBr)NC1=CC=CC=C1 B49021 [0,0,1,0,0,0|3,0,0]=4 122 B11R1.40 O=C(CBr)NC1=CC=CC=C1 B64861 [0,0,1,0,0,0|3,0,0]=4 123 B11R1.40 O=C(CCl)NC1=CC=CC=C1 C38641 [0,0,1,0,0,0|3,0,0]=4 124 B11R1.40 O=C(CCl)NC1=NC=CC=N1 C64575 [0,0,1,0,0,0|3,0,0]=4 125 B13R2.32 CC1=C(O)C2=CC=CN=C2C=C1 M53899 [0,0,0,0,0,1|3,0,0]=4 126 B13R2.328 NC1=CC(=O)NC2=C1C=CC=C2 A51343 [0,0,0,0,0,1|3,0,0]=4 127 B13R2.328 NC1=NC(O)=C2NC=CN=C2N1 A43129 [0,0,0,0,0,1|3,0,0]=4 128 B13R2.328 O=C1C=C(Br)C2=C(C=CC=C2)N1 B38904 [0,0,0,0,0,1|3,0,0]=4 129 B13R2.328 O=C1C=C(Cl)C2=C(C=CC=C2)N1 C50932 [0,0,0,0,0,1|3,0,0]=4 130 B13R2.328 O=C1C=C(Cl)C2=C(N=CC=C2)N1 C47614 [0,0,0,0,0,1|2,0,0]=3 131 B13R2.328 O=C1C=C(O)C2=C(C=CC=C2)N1 D69317 [0,0,0,0,0,1|2,0,0]=3 132 B13R2.328 O=C1CC(=O)C2=C(C=CC=C2)N1 Q51171 [0,0,0,0,0,1|2,0,1]=4 133 B13R2.328 O=C1NC(=O)C2=C(N=CC=C2)N1 P13534 [0,0,0,0,0,1|1,0,1]=3 134 B13R2.328 O=C1NC2=C(C=CC=C2)C(=O)O1 B65464 [0,0,0,0,0,1|2,0,1]=4 135 B13R2.328 OC1=CC(Br)=CC2=NC=CC=C12 B64350 [0,0,0,0,0,1|3,0,0]=4 136 B13R2.369 C[C@@H]1NC2=C(C=CC=C2)NC1=O M0672 [0,0,0,0,0,1|3,0,0]=4 137 B13R2.369 C[C@@H]1OC2=C(C=CC=C2)NC1=O M51787 [0,0,0,0,0,1|3,0,0]=4 138 B13R2.369 O=C1NC2=C(C=CC=C2)N=C1Cl C11394 [0,0,0,0,0,1|3,0,0]=4 139 B13R2.369 O=C1OC2=C(C=CC=C2)N=C1O H47728 [0,0,0,0,0,1|3,0,0]=4 140 B10R1.15 NC[C@@H](O)C1=CN=CC=C1 A46466 [1,0,1,0,0,0|1,0,1]=4 141 B10R1.18 CC(=O)CC1=NC=CC=C1 P15826 [1,0,1,0,0,0|2,0,0]=4 142 B10R1.18 CC(=O)NC1=CC=CC=C1 A60649 [1,0,1,0,0,0|2,0,0]=4 143 B10R1.18 CC(=O)NC1=CN=CC=C1 P63567 [1,0,1,0,0,0|1,0,0]=3 144 B10R1.18 CC(=O)NC1=NC=CC=N1 P43093 [1,0,1,0,0,0|2,0,0]=4 145 B10R1.18 N=C(N)NC1=CC=CC=C1 P49691 [1,0,1,0,0,0|2,0,0]=4 146 B10R1.18 NC(=O)CC1=CC=CC=C1 P69172 [1,0,1,0,0,0|2,0,0]=4 147 B10R1.18 NC(=O)CC1=CN=CC=C1 P45977 [1,0,1,0,0,0|1,0,0]=3 148 B10R1.18 NC(=O)CC1=NC=CC=N1 P43092 [1,0,1,0,0,0|2,0,0]=4 149 B10R1.18 NC(=O)NC1=NC=CN=C1 P41097 [1,0,1,0,0,0|1,0,0]=3 150 B10R1.18 NC(=O)OC1=CC=CC=C1 P45812 [1,0,1,0,0,0|2,0,0]=4 151 B10R1.18 NC(=S)NC1=NC=CC=C1 P43125 [1,0,1,0,0,0|0,1,0]=3 152 B10R1.18 O=C(O)CC1=CN=CC=C1 P39426 [1,0,1,0,0,0|2,0,0]=4 153 B10R1.18 O=C(O)CC1=NC=CC=C1 P18563 [1,0,1,0,0,0|1,0,0]=3 154 B10R1.18 O=C(O)CC1=NC=CC=C1 P38331 [1,0,1,0,0,0|1,0,0]=3 155 B10R1.18 O=C(O)CC1=NC=CC=N1 P0756 [1,0,1,0,0,0|2,0,0]=4 156 B10R1.18 O=C(O)CC1=NC=CN=C1 P12241 [1,0,1,0,0,0|2,0,0]=4 157 B10R1.18 O=C(O)CC1=NC=NC=C1 P12245 [1,0,1,0,0,0|2,0,0]=4 158 B10R1.18 O=C(O)CC1=NN=CC=C1 P12243 [1,0,1,0,0,0|2,0,0]=4 159 B10R1.20 CNC1=C(C=O)C=CC=C1 M49260 [1,0,1,0,0,0|2,0,0]=4 160 B10R1.20 CNC1=C(CO)C=CC=N1 M43647 [1,0,1,0,0,0|1,0,1]=4 161 B10R1.20 COC1=CC=CN=C1C=O M3691 [1,0,1,0,0,0|2,0,0]=4 162 B10R1.61 CC(=O)C1=C(N)N=CC=C1 A45979 [1,0,1,0,0,0|2,0,0]=4 163 B10R1.61 CC1=C(C(=O)O)C=CC=N1 M14576 [1,0,1,0,0,0|2,0,0]=4 164 B10R1.61 CC1=C(C(=O)O)C=CC=N1 M45814 [1,0,1,0,0,0|2,0,0]=4 165 B10R1.61 C[C@H](O)C1=C(N)N=CC=C1 A65242 [1,0,1,0,0,0|1,0,1]=4 166 B10R1.61 NC(=O)C1=C(N)N=CC=C1 A65610 [1,0,1,0,0,0|2,0,0]=4 167 B10R1.61 NC1=C(C(=O)O)C=CC=N1 A12487 [1,0,1,0,0,0|1,0,0]=3 168 B10R1.61 NC1=C(C(=O)O)C=CN=N1 A40968 [1,0,1,0,0,0|2,0,0]=4 169 B10R1.61 NC1=C(C(=O)O)C=NC=N1 A40969 [1,0,1,0,0,0|2,0,0]=4 170 B10R1.61 NC1=C([N+](=O)[O-])C=CC=N1 A8165 [1,0,1,0,0,0|0,0,2]=4 171 B10R1.61 NC1=NC=CN=C1C(=O)O A69313 [1,0,1,0,0,0|2,0,0]=4 172 B10R1.61 O=C(O)C1=CC=CN=C1Br B23274 [1,0,1,0,0,0|2,0,0]=4 173 B10R1.61 O=C(O)C1=CC=CN=C1Cl C22883 [1,0,1,0,0,0|2,0,0]=4 174 B10R1.61 O=C(O)C1=CC=CN=C1F F38458 [1,0,1,0,0,0|2,0,0]=4 175 B10R2.7 C1=CC2=C(C=C1)NC=N2 B69282 [2,0,0,0,0,0|1,0,1]=4 176 B10R2.7 C1=CC2=C(C=CO2)N=C1 F10431 [2,0,0,0,0,0|2,0,0]=4 177 B10R2.7 C1=CC2=C(C=CS2)N=C1 T14110 [2,0,0,0,0,0|2,0,0]=4 178 B10R2.7 C1=CC2=C(N=C1)N=CO2 X42083 [2,0,0,0,0,0|1,0,1]=4 179 B10R2.7 C1=CC2=C(N=N1)NC=C2 P15421 [2,0,0,0,0,0|2,0,0]=4 180 B10R2.7 C1=CC2=CN=CN=C2N1 P0039 [2,0,0,0,0,0|2,0,0]=4 181 B10R2.7 C1=CC2=NC=NC=C2N1 P1402 [2,0,0,0,0,0|2,0,0]=4 182 B10R2.7 C1=CN=C2C=CNC2=C1 A2958 [2,0,0,0,0,0|1,0,0]=3 183 B10R2.7 C1=CN=C2C=NNC2=C1 P0514 [2,0,0,0,0,0|2,0,0]=4 184 B10R2.7 C1=CN=C2N=NNC2=C1 T40816 [2,0,0,0,0,0|1,0,1]=4 185 B10R2.7 C1=CN=C2NC=CC2=C1 A4765 [2,0,0,0,0,0|1,0,0]=3 186 B10R2.7 C1=CN=C2NC=CC2=N1 P7478 [2,0,0,0,0,0|2,0,0]=4 187 B10R2.7 C1=CN=C2NC=NC2=N1 K40813 [2,0,0,0,0,0|1,0,1]=4 188 B10R2.7 C1=CN=C2NCCC2=C1 D0150 [2,0,0,0,0,0|1,0,1]=4 189 B10R2.7 C1=CN=C2NCCC2=C1 D65478 [2,0,0,0,0,0|1,0,1]=4 190 B10R2.7 C1=CN=C2NN=CC2=C1 P6130 [2,0,0,0,0,0|2,0,0]=4 191 B10R2.7 C1=CN=C2OC=NC2=C1 X42085 [2,0,0,0,0,0|1,0,1]=4 192 B10R2.7 C1=CN=C2SC=CC2=C1 T67796 [2,0,0,0,0,0|2,0,0]=4 193 B12R2.1 CCN1C=NC2=NC=CC=C21 E49202 [1,1,0,0,0,0|1,0,1]=4 194 B12R2.1 N#CC1=CNC2=C1C=CC=N2 P0334 [1,1,0,0,0,0|2,0,0]=4 195 B12R2.1 NCC1=CNC2=NC=CC=C12 P0336 [1,1,0,0,0,0|2,0,0]=4 196 B12R2.1 O=CC1=CNC2=C1C=CC=N2 P0802 [1,1,0,0,0,0|1,0,1]=4 197 B12R2.1 OCC1=CNC2=C1C=CC=C2 I4626 [1,1,0,0,0,0|2,0,0]=4 198 B12R2.1 OCC1=CNC2=C1C=CC=N2 H12376 [1,1,0,0,0,0|1,0,0]=3 199 B12R2.1 OCC1=CNC2=NC=CN=C12 P45739 [1,1,0,0,0,0|2,0,0]=4 200 B12R2.132 BrC1=CC2=C(N=C1)NC=C2I B5504 [1,1,0,0,0,0|2,0,0]=4 201 B12R2.132 BrC1=CNC2=NC=C(I)C=C12 B10304 [1,1,0,0,0,0|2,0,0]=4 202 B12R2.132 CC1=CC2=C(N=C1)NC=C2I K16733 [1,1,0,0,0,0|2,0,0]=4 203 B12R2.132 CC1=CNC2=NC=C(Br)C=C12 B7587 [1,1,0,0,0,0|2,0,0]=4 204 B12R2.132 CC1=CNC2=NC=C(Cl)C=C12 C10650 [1,1,0,0,0,0|2,0,0]=4 205 B12R2.132 CC1=CNC2=NC=C(N)C=C12 A11074 [1,1,0,0,0,0|2,0,0]=4 206 B12R2.132 CN1C=CC2=NC=C(Br)C=C21 B48323 [1,1,0,0,0,0|2,0,0]=4 207 B12R2.132 ClC1=CC2=C(N=C1)NC=C2Br B12405 [1,1,0,0,0,0|2,0,0]=4 208 B12R2.132 ClC1=CC2=C(N=C1)NC=C2I C12406 [1,1,0,0,0,0|2,0,0]=4 209 B12R2.132 ClC1=CNC2=NC=C(Br)C=C12 B44303 [1,1,0,0,0,0|2,0,0]=4 210 B12R2.132 FC1=CC2=C(N=C1)NC=C2Br B27046 [1,1,0,0,0,0|2,0,0]=4 211 B12R2.132 FC1=CC2=C(N=C1)NC=C2I F12408 [1,1,0,0,0,0|2,0,0]=4 212 B12R2.132 NC1=CNC2=NC=C(Br)C=C12 B45287 [1,1,0,0,0,0|2,0,0]=4 213 B12R2.203 BrC1=C2C(I)=CNC2=NC=C1 B29462 [1,1,0,0,0,0|2,0,0]=4 214 B12R2.203 CC1=CNC2=NC=CC(Br)=C12 B11076 [1,1,0,0,0,0|2,0,0]=4 215 B12R2.203 CC1=CNC2=NC=CC(Cl)=C12 C9660 [1,1,0,0,0,0|2,0,0]=4 216 B12R2.203 CC1=CNC2=NC=CC(N)=C12 A13789 [1,1,0,0,0,0|2,0,0]=4 217 B12R2.203 ClC1=C2C(Br)=CNC2=NC=C1 B5869 [1,1,0,0,0,0|2,0,0]=4 218 B12R2.203 ClC1=C2C(I)=CNC2=NC=C1 C10306 [1,1,0,0,0,0|2,0,0]=4 219 B12R2.203 FC1=CNC2=NC=CC(Br)=C12 B60101 [1,1,0,0,0,0|2,0,0]=4 220 B12R2.203 NC1=CNC2=NC=CC(Cl)=C12 C15849 [1,1,0,0,0,0|2,0,0]=4 221 B12R2.612 CC1=CNC2=C1C=CC(Cl)=N2 C11077 [1,1,0,0,0,0|2,0,0]=4 222 B12R2.612 CC1=NC2=C(C=C1)C(Br)=CN2 B15845 [1,1,0,0,0,0|2,0,0]=4 223 B12R2.612 CC1=NC2=C(C=C1)C(I)=CN2 K15846 [1,1,0,0,0,0|2,0,0]=4 224 B12R2.612 ClC1=NC2=C(C=C1)C(Br)=CN2 B17210 [1,1,0,0,0,0|2,0,0]=4 225 B12R2.612 FC1=NC2=C(C=C1)C(I)=CN2 F17196 [1,1,0,0,0,0|2,0,0]=4 226 B12R2.2028 CN1C=C(Br)C2=C1N=CC=C2 B22807 [1,1,0,0,0,0|2,0,0]=4 227 B12R2.32 NCC1=CC2=CC=CN=C2N1 P27892 [1,1,0,0,0,0|2,0,0]=4 228 B12R2.32 NCC1=NC2=CC=CN=C2N1 K66392 [1,1,0,0,0,0|1,0,1]=4 229 B12R2.32 O=CC1=CC2=C(C=CC=C2)N1 I38005 [1,1,0,0,0,0|2,0,0]=4 230 B12R2.32 O=CC1=CC2=C(C=CC=N2)O1 F10728 [1,1,0,0,0,0|2,0,0]=4 231 B12R2.32 O=CC1=CC2=C(N=CC=C2)N1 P1530 [1,1,0,0,0,0|1,0,0]=3 232 B12R2.32 O=CC1=CC2=CC=CN=C2S1 T47760 [1,1,0,0,0,0|2,0,0]=4 233 B12R2.32 O=CC1=NC2=C(C=CC=C2)N1 B23090 [1,1,0,0,0,0|1,0,1]=4 234 B12R2.202 BrC1=CC=NC2=C1C=C(I)N2 B44317 [1,1,0,0,0,0|2,0,0]=4 235 B12R2.202 CC1=CC2=C(Br)C=CN=C2N1 B14144 [1,1,0,0,0,0|2,0,0]=4 236 B12R2.202 CC1=CC2=C(C)C=CN=C2N1 D37619 [1,1,0,0,0,0|2,0,0]=4 237 B12R2.202 CC1=CC2=C(Cl)C=CN=C2N1 C12866 [1,1,0,0,0,0|2,0,0]=4 238 B12R2.202 CC1=CC2=C(O)C=CN=C2N1 H12868 [1,1,0,0,0,0|2,0,0]=4 239 B12R2.202 CC1=CC=CC2=C1CC(=O)N2 M51751 [1,1,0,0,0,0|2,0,0]=4 240 B12R2.202 CC1=CC=NC2=C1NC(=O)C2 M48820 [1,1,0,0,0,0|1,0,0]=3 241 B12R2.202 ClC1=CC=NC2=C1C=C(I)N2 C0493 [1,1,0,0,0,0|2,0,0]=4 242 B12R2.202 ClC1=CC=NC2=C1NC(Br)=N2 B19420 [1,1,0,0,0,0|1,0,1]=4 243 B12R2.202 ClC1=CC=NC2=C1NC(I)=C2 C60044 [1,1,0,0,0,0|2,0,0]=4 244 B12R2.202 NC1=CC=CC2=C1NC(=O)C2 A48794 [1,1,0,0,0,0|2,0,0]=4 245 B12R2.202 NC1=CC=CC2=C1OC(=O)N2 A45229 [1,1,0,0,0,0|2,0,0]=4 246 B12R2.202 O=C1CC2=C(Br)C=CC=C2N1 B2074 [1,1,0,0,0,0|2,0,0]=4 247 B12R2.202 O=C1CC2=C(Br)C=CN=C2N1 B16473 [1,1,0,0,0,0|1,0,0]=3 248 B12R2.202 O=C1CC2=C(C=CC=C2O)N1 H48455 [1,1,0,0,0,0|2,0,0]=4 249 B12R2.202 O=C1CC2=C(Cl)C=CC=C2N1 C22284 [1,1,0,0,0,0|2,0,0]=4 250 B12R2.202 O=C1CC2=C(Cl)C=CN=C2N1 C0438 [1,1,0,0,0,0|1,0,0]=3 251 B12R2.202 O=C1CC2=C(F)C=CC=C2N1 F48095 [1,1,0,0,0,0|2,0,0]=4 252 B12R2.202 O=C1CC2=C(F)C=CN=C2N1 F0565 [1,1,0,0,0,0|1,0,0]=3 253 B12R2.202 O=C1CC2=C(I)C=CN=C2N1 I17231 [1,1,0,0,0,0|1,0,0]=3 254 B12R2.202 O=C1CC2=C(N=CN=C2Cl)N1 C0078 [1,1,0,0,0,0|2,0,0]=4 255 B12R2.202 O=C1CC2=CC=CC(Br)=C2N1 B12492 [1,1,0,0,0,0|2,0,0]=4 256 B12R2.202 O=C1CC2=CC=CC(F)=C2N1 F48096 [1,1,0,0,0,0|2,0,0]=4 257 B12R2.202 O=C1NC2=C(C=CC=C2F)S1 F44555 [1,1,0,0,0,0|2,0,0]=4 258 B12R2.202 O=C1NC2=C(Cl)C=CC=C2S1 C44540 [1,1,0,0,0,0|2,0,0]=4 259 B12R2.202 O=C1NC2=CC=CC(Br)=C2O1 B44448 [1,1,0,0,0,0|2,0,0]=4 260 B12R2.202 O=C1NC2=CC=CC(Br)=C2S1 B44525 [1,1,0,0,0,0|2,0,0]=4 261 B12R2.202 O=C1NC2=CC=CC(Cl)=C2S1 C44541 [1,1,0,0,0,0|2,0,0]=4 262 B12R2.202 O=C1NC2=CC=CC(F)=C2N1 F38220 [1,1,0,0,0,0|1,0,0]=3 263 B12R2.202 O=C1NC2=CN=CC(Br)=C2N1 B36629 [1,1,0,0,0,0|2,0,0]=4 264 B12R2.606 CC1=CC2=C(C=C1)CC(=O)N2 M24288 [1,1,0,0,0,0|2,0,0]=4 265 B12R2.606 CC1=CC2=C(C=C1)NC(=O)C2 M51752 [1,1,0,0,0,0|2,0,0]=4 266 B12R2.606 CC1=CC2=C(C=C1)NC(=O)N2 M48816 [1,1,0,0,0,0|1,0,0]=3 267 B12R2.606 CC1=CC2=C(C=C1)NC(=S)N2 M68688 [1,1,0,0,0,0|1,1,0]=4 268 B12R2.606 CC1=CC2=C(C=CC(Cl)=N2)N1 C15671 [1,1,0,0,0,0|2,0,0]=4 269 B12R2.606 CC1=CC2=C(N=C1)NC(I)=C2 K17724 [1,1,0,0,0,0|2,0,0]=4 270 B12R2.606 CC1=CC2=CC(Br)=CN=C2N1 B0709 [1,1,0,0,0,0|2,0,0]=4 271 B12R2.606 CC1=CC2=CC(N)=CN=C2N1 A1743 [1,1,0,0,0,0|2,0,0]=4 272 B12R2.606 CC1=CC2=NC=C(Br)C=C2N1 B48324 [1,1,0,0,0,0|2,0,0]=4 273 B12R2.606 CC1=NC2=C(N=C(Br)C=C2)N1 B45281 [1,1,0,0,0,0|1,0,1]=4 274 B12R2.606 CC1=NC2=C(N=C(Cl)C=C2)N1 C38874 [1,1,0,0,0,0|1,0,1]=4 275 B12R2.606 CC1=NC2=CC(Br)=CN=C2N1 B12516 [1,1,0,0,0,0|1,0,1]=4 276 B12R2.606 ClC1=CC2=C(C=CC(Cl)=N2)N1 D60039 [1,1,0,0,0,0|2,0,0]=4 277 B12R2.606 ClC1=CC2=CC(Br)=CN=C2N1 B63868 [1,1,0,0,0,0|2,0,0]=4 278 B12R2.606 FC1=CC2=C(C=C1)NC(=S)N2 F44802 [1,1,0,0,0,0|1,1,0]=4 279 B12R2.606 NC1=CC2=C(C=C1)CC(=O)N2 A12202 [1,1,0,0,0,0|2,0,0]=4 280 B12R2.606 NC1=CC2=C(C=C1)NC(=O)C2 A0306 [1,1,0,0,0,0|2,0,0]=4 281 B12R2.606 NC1=CC2=C(C=C1)NC(=O)C2 A49612 [1,1,0,0,0,0|2,0,0]=4 282 B12R2.606 NC1=CC2=C(C=C1)NC(=O)N2 A69233 [1,1,0,0,0,0|1,0,0]=3 283 B12R2.606 NC1=CC2=C(C=C1)NC(=O)S2 A45264 [1,1,0,0,0,0|2,0,0]=4 284 B12R2.606 O=C1CC2=C(C=C(Br)C=C2)N1 B9533 [1,1,0,0,0,0|2,0,0]=4 285 B12R2.606 O=C1CC2=C(C=C(Cl)C=C2)N1 C24287 [1,1,0,0,0,0|2,0,0]=4 286 B12R2.606 O=C1CC2=C(C=C(F)C=C2)N1 F24289 [1,1,0,0,0,0|2,0,0]=4 287 B12R2.606 O=C1CC2=C(C=C(I)C=C2)N1 K61888 [1,1,0,0,0,0|2,0,0]=4 288 B12R2.606 O=C1CC2=C(C=CC(Br)=C2)N1 B0214 [1,1,0,0,0,0|2,0,0]=4 289 B12R2.606 O=C1CC2=C(C=CC(Br)=N2)N1 B7653 [1,1,0,0,0,0|1,0,0]=3 290 B12R2.606 O=C1CC2=C(C=CC(Cl)=N2)N1 P5501 [1,1,0,0,0,0|1,0,0]=3 291 B12R2.606 O=C1CC2=C(C=CC(F)=C2)N1 F28486 [1,1,0,0,0,0|2,0,0]=4 292 B12R2.606 O=C1CC2=C(N=C(Br)C=C2)N1 B17259 [1,1,0,0,0,0|1,0,0]=3 293 B12R2.606 O=C1CC2=C(N=C(Cl)C=C2)N1 C12509 [1,1,0,0,0,0|1,0,0]=3 294 B12R2.606 O=C1CC2=C(N=C(Cl)N=C2)N1 C0079 [1,1,0,0,0,0|2,0,0]=4 295 B12R2.606 O=C1CC2=C(N=C(Cl)N=C2)N1 C12203 [1,1,0,0,0,0|2,0,0]=4 296 B12R2.606 O=C1CC2=CC(Br)=CN=C2N1 B0774 [1,1,0,0,0,0|1,0,0]=3 297 B12R2.606 O=C1CC2=CC(Cl)=CN=C2N1 C0439 [1,1,0,0,0,0|1,0,0]=3 298 B12R2.606 O=C1CC2=CC(F)=CN=C2N1 F0566 [1,1,0,0,0,0|1,0,0]=3 299 B12R2.606 O=C1CC2=NC=C(Br)C=C2N1 B0533 [1,1,0,0,0,0|1,0,0]=3 300 B12R2.606 O=C1CC2=NC=C(Cl)C=C2N1 C0694 [1,1,0,0,0,0|1,0,0]=3 301 B12R2.606 O=C1NC2=C(C=C(Br)C=C2)N1 B36673 [1,1,0,0,0,0|1,0,0]=3 302 B12R2.606 O=C1NC2=C(C=C(Br)C=C2)O1 B69565 [1,1,0,0,0,0|2,0,0]=4 303 B12R2.606 O=C1NC2=C(C=C(Br)C=C2)S1 B44524 [1,1,0,0,0,0|2,0,0]=4 304 B12R2.606 O=C1NC2=C(C=C(Cl)C=C2)N1 C69352 [1,1,0,0,0,0|1,0,0]=3 305 B12R2.606 O=C1NC2=C(C=C(Cl)C=C2)S1 C38265 [1,1,0,0,0,0|2,0,0]=4 306 B12R2.606 O=C1NC2=C(C=C(F)C=C2)N1 F44847 [1,1,0,0,0,0|1,0,0]=3 307 B12R2.606 O=C1NC2=C(C=C(F)C=C2)S1 F44553 [1,1,0,0,0,0|2,0,0]=4 308 B12R2.606 O=C1NC2=C(C=CC(Br)=C2)O1 B44447 [1,1,0,0,0,0|2,0,0]=4 309 B12R2.606 O=C1NC2=C(C=CC(F)=C2)O1 F44453 [1,1,0,0,0,0|2,0,0]=4 310 B12R2.606 O=C1NC2=C(N=C(Cl)C=C2)N1 C5324 [1,1,0,0,0,0|0,0,0]=2 311 B12R2.606 O=C1NC2=CC(Br)=CN=C2N1 B5323 [1,1,0,0,0,0|0,0,0]=2 312 B12R2.606 O=C1NC2=CN=C(Cl)C=C2N1 C42180 [1,1,0,0,0,0|2,0,0]=4 313 B12R2.606 O=C1NC2=NC=C(Br)C=C2O1 B41837 [1,1,0,0,0,0|1,0,0]=3 314 B12R2.606 O=C1NC2=NC=C(Cl)C=C2O1 C41838 [1,1,0,0,0,0|1,0,0]=3 315 B12R2.606 OC1=CC2=C(C=C1)NC(=S)N2 H61361 [1,1,0,0,0,0|1,1,0]=4 316 B12R2.606 S=C1NC2=C(C=C(Br)C=C2)N1 B44766 [1,1,0,0,0,0|1,1,0]=4 317 B12R2.606 S=C1NC2=C(C=C(Cl)C=C2)N1 C63074 [1,1,0,0,0,0|1,1,0]=4 318 B14R2.7724 CN1C(=O)NC(=O)C2=C1C=CC=C2 M51388 [0,1,0,0,0,1|2,0,0]=4 319 B14R2.8188 CN1C(=O)C(=O)NC2=C1C=CC=N2 M48411 [0,1,0,0,0,1|1,0,0]=3 320 B14R2.29369 CN1C(=O)CNC2=C1C=CC(Cl)=C2 C51698 [0,1,0,0,0,1|2,0,0]=4 321 B14R2.1146 COC1=CC(=O)NC2=C1C=CC=C2 M53922 [0,1,0,0,0,1|2,0,0]=4 322 B14R2.8235 O=C1C=C(O)C2=C(C=CC(Br)=C2)N1 B50867 [0,1,0,0,0,1|2,0,0]=4 323 B14R2.29365 CC1=CC=C2C(O)=CC(=O)NC2=N1 H64747 [0,1,0,0,0,1|1,0,0]=3 324 B14R2.29365 O=C1NC(=O)C2=C(N=C(Cl)C=C2)N1 C64194 [0,1,0,0,0,1|1,0,1]=4 325 B14R2.639 CC1(C)OC2=CC=CN=C2NC1=O D10659 [0,1,0,0,0,1|2,0,0]=4 326 B14R2.642 C=C(C)N1C(=O)NC2=C1C=CC=C2 P52300 [0,2,0,0,0,0|2,0,0]=4 327 B14R2.642 CC1=C(C(=O)O)C2=C(N=CC=C2)N1 M13000 [0,2,0,0,0,0|2,0,0]=4 328 B14R2.4507 O=C1NC2=NC=C(Br)C=C2C1(F)F B19355 [0,2,0,0,0,0|2,0,0]=4 329 B14R2.4646 CC1(C)C(=O)NC2=C1C=CC(Cl)=N2 C51699 [0,2,0,0,0,0|2,0,0]=4 330 B14R2.8716 CN1C(=O)N(C)C2=C1C=CC(N)=C2 A50006 [0,2,0,0,0,0|2,0,0]=4 331 B12R2.24 O=C1C=NC2=CC=CN=C2N1 P44866 [0,0,1,1,0,0|2,0,0]=4 332 B12R2.24 O=C1CCC2=CC=CN=C2N1 D0689 [0,0,1,1,0,0|2,0,0]=4 333 B12R2.24 O=C1COC2=C(C=CC=C2)N1 B48457 [0,0,1,1,0,0|2,0,0]=4 334 B12R2.24 O=C1COC2=CC=CN=C2N1 P38148 [0,0,1,1,0,0|1,0,0]=3 335 B12R2.24 O=C1NCC2=C(C=CC=C2)N1 D48807 [0,0,1,1,0,0|2,0,0]=4 336 B14R3.698 O=C1NC2=C(C=CC=N2)C13CC3 S19526 [0,1,0,1,0,0|2,0,0]=4 337 B10R2.2 O=C1NC2=C(N1)SC=C2 T40779 [1,0,0,0,1,0|1,0,0]=3